#DEFINITION	Reference Metabolome for Morella rubra
#IDENTTFIER	RefMeta-Morella rubra.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Morella rubra
#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 Morella rubra was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	9.6
72.99184	0.9
73.02824	1.3
74.02346	0.3
81.03321	0.3
83.01256	1.3
83.04900	0.7
85.02824	2.0
87.00755	1.9
89.02322	7.4
89.14840	0.3
92.92736	0.3
94.92394	0.3
95.01278	0.6
96.95894	3.5
97.02827	1.5
97.06445	0.3
98.19827	0.6
99.00764	0.4
101.01704	0.6
101.02328	6.3
109.06481	0.6
111.08043	9.3
111.08819	0.6
112.08378	0.5
112.87193	0.3
113.02354	3.4
119.03383	1.9
123.99612	0.3
125.02332	3.7
127.07521	0.8
128.03448	0.5
131.03387	0.5
137.09641	0.4
141.01929	0.3
141.09084	0.4
143.03394	1.1
143.04431	0.7
149.04417	0.5
151.11255	0.7
153.12767	1.2
161.04411	1.5
167.03415	0.5
169.01337	0.9
169.12262	4.7
179.05571	2.5
179.10719	0.5
181.12306	1.1
183.13849	0.8
193.12392	0.4
197.11765	51.6
198.12059	2.5
199.13326	2.9
211.13358	7.4
221.06616	1.0
221.11766	0.5
227.12860	1.1
235.08080	2.3
247.20653	0.3
253.09392	0.5
263.20181	3.0
265.18082	1.5
272.08868	0.4
273.18658	0.9
287.07761	0.6
291.19656	14.5
292.20013	1.4
305.08716	0.7
306.07727	1.9
307.19223	0.3
309.20706	100.0
310.21033	6.9
323.09955	0.5
379.12485	0.7
397.13489	18.7
398.13748	1.9
415.14560	13.8
416.14984	0.9
577.25171	0.4
595.26129	0.7
601.41052	2.1
602.41968	0.5
689.34125	1.8
707.34735	3.8
708.35193	0.5
708.55298	0.4
708.69104	0.4
999.54108	0.6
1000.51062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37511	0.3
68.71148	0.3
71.18250	0.3
77.16823	0.3
78.25884	0.4
79.36974	0.3
83.28554	0.3
87.10867	0.3
107.01276	0.6
109.02795	0.5
124.01545	1.8
125.02276	0.6
129.83762	0.3
135.00798	0.5
136.01515	0.7
137.02345	0.6
151.00261	2.8
152.01039	1.2
159.04428	0.5
161.02440	0.3
163.00281	0.9
164.01042	1.6
171.04474	0.5
174.88144	0.3
178.99767	3.2
187.03889	0.4
203.03432	1.0
214.02657	5.3
215.03380	1.5
227.03458	0.6
229.85471	0.3
231.02954	0.7
232.03838	0.5
241.01460	0.5
242.02118	5.1
243.02928	3.0
259.02435	7.0
269.98871	0.3
270.01648	6.1
271.02463	35.1
272.02747	2.0
287.01959	22.3
288.02472	2.2
315.01471	5.4
316.02216	96.2
317.02615	7.3
445.07639	0.4
460.17819	0.3
505.09863	100.0
506.10150	10.3
629.22839	0.4
675.11963	0.4
679.55713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75887	0.6
69.03320	1.2
69.36781	1.0
69.37110	5.7
71.01251	15.2
72.99176	1.0
73.02824	2.8
81.03315	0.8
83.01257	1.8
83.04899	1.5
84.02023	0.8
85.02821	7.2
87.00752	4.0
89.02322	12.3
95.01261	0.8
95.04903	1.2
96.95866	1.9
97.02818	3.0
97.06463	2.8
99.00768	1.1
99.04407	0.8
101.02324	11.1
107.93591	0.6
111.04424	0.9
113.02332	6.4
116.92746	2.3
118.86226	0.6
119.03399	4.2
125.02307	4.0
125.06035	0.8
125.09611	1.0
135.52032	0.6
143.03391	2.0
161.04492	2.4
164.49907	0.7
171.10182	8.5
177.12851	0.9
179.05562	2.9
183.13774	6.2
184.14035	1.1
185.11671	0.6
193.04312	0.7
193.12189	1.1
195.13837	1.1
197.11761	1.5
209.11728	1.1
211.13309	14.0
211.15187	1.0
212.13733	0.8
221.06743	1.1
221.11687	1.4
229.14386	9.2
235.08263	3.7
239.12817	1.5
251.16397	1.5
253.09286	1.1
263.07416	0.8
268.74744	0.6
277.21716	30.3
278.22083	2.8
287.07739	0.9
291.19669	4.1
293.21179	1.3
295.22809	2.3
305.08734	2.0
309.20676	9.3
310.21170	0.8
311.22208	1.5
323.09808	0.7
327.21759	100.0
328.22070	5.5
364.14621	0.6
379.12384	0.8
397.13480	46.4
398.13858	1.7
415.14578	17.8
416.15106	0.9
587.42883	1.7
637.49921	0.7
652.53717	0.7
675.36084	2.7
707.34692	5.0
725.36090	1.9
962.13867	0.6
985.58630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.507
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23539	58.6
71.01263	27.6
72.99174	14.5
80.12292	13.6
87.44083	15.5
89.02270	17.5
95.65242	13.7
96.95894	100.0
101.02328	18.4
116.34187	13.0
116.92735	46.0
117.92757	17.3
125.02299	19.7
147.63405	16.4
176.80634	12.8
197.11821	17.1
209.11641	20.1
211.13426	17.0
291.19635	31.9
309.20731	18.4
372.44373	14.6
397.13324	23.9
439.05786	17.2
456.75821	16.4
624.32239	17.1
893.71088	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	984.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49283	0.9
83.01224	0.7
84.90163	0.6
86.83514	0.9
104.04171	0.6
107.01262	1.5
109.02858	1.1
111.00797	1.3
112.12122	0.7
121.02804	0.7
121.56961	0.6
123.00746	1.6
125.02348	7.1
133.02855	0.8
134.02335	0.9
135.00798	1.0
137.02335	4.3
139.00240	1.8
146.02333	0.9
147.00795	0.7
148.01508	0.7
149.02364	1.7
150.01845	0.9
151.00302	6.6
152.01067	1.5
153.01877	1.1
159.04408	0.8
161.02388	1.0
162.01859	2.5
162.18268	0.6
163.00264	3.4
163.99855	1.1
164.01080	11.6
164.03299	3.5
165.01796	2.6
166.99701	0.8
169.01337	1.2
175.00256	1.2
175.03873	0.7
176.01038	0.7
176.03436	1.0
177.01842	12.3
177.05457	1.2
178.99777	6.3
179.03387	0.7
180.00311	0.8
181.01335	0.8
186.01917	4.2
187.03960	1.4
189.01852	1.4
190.01341	1.9
190.02821	1.1
190.99747	4.1
191.02139	2.0
191.03592	1.1
191.54378	0.7
192.00626	0.8
192.02806	1.5
193.01260	2.2
199.03883	1.2
202.01405	2.0
202.99774	4.9
203.01898	1.3
203.03612	1.1
204.00417	0.6
204.01105	0.7
204.02931	6.5
205.01393	3.4
206.02119	0.8
206.99315	1.5
207.02856	2.1
214.02740	1.7
215.03406	2.0
217.01410	0.9
218.02254	0.7
219.02945	3.6
221.00850	1.4
222.04094	0.9
227.03461	1.9
229.01471	0.7
230.00864	10.6
231.01282	1.0
231.03160	1.0
233.04306	0.9
242.02263	1.5
243.02968	4.4
245.04518	1.1
246.04015	1.2
247.01039	1.1
247.02547	0.7
249.04143	0.7
255.03128	0.8
259.02417	4.1
260.03094	1.6
261.04074	1.5
263.05716	0.7
266.04266	0.8
268.02444	0.8
270.01688	2.3
270.99774	1.1
271.02469	12.7
272.03043	1.7
273.03741	1.0
283.02435	0.8
285.04007	1.3
286.01169	1.0
287.01932	11.5
288.02646	3.1
289.03558	2.6
298.03720	1.2
301.03513	2.0
304.02191	1.0
305.02841	0.8
310.03650	2.6
312.05280	1.1
313.03546	1.6
315.01443	5.3
316.02185	34.1
317.02832	9.2
318.03107	1.3
327.07153	1.0
328.04538	1.9
329.02594	1.5
332.01663	6.5
333.02460	9.0
338.02841	2.2
350.08701	1.1
354.02692	0.9
355.03064	1.8
355.06781	3.5
355.99756	1.1
356.04034	8.8
368.09799	4.2
373.04315	12.0
374.05096	4.0
394.07770	27.8
395.08133	2.1
461.07230	1.0
463.08798	39.4
464.08984	4.4
465.09634	0.9
479.08060	4.4
480.07581	0.7
502.10040	6.0
503.10416	1.3
518.09283	1.8
519.09961	1.6
520.10938	100.0
521.11237	10.9
895.20563	0.7
957.46509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77604	13.6
69.77907	48.8
71.01253	23.2
72.99168	10.2
80.85403	9.2
80.96394	11.3
85.02841	9.8
89.02319	19.4
92.92686	14.6
94.92358	17.2
94.97938	12.0
101.02299	19.8
111.07994	17.2
113.02284	11.0
165.38445	9.3
188.32947	10.2
193.74260	8.0
193.93889	8.3
197.11751	38.7
209.11736	15.7
235.08337	14.9
257.41171	9.4
291.19611	100.0
309.20770	87.9
354.14481	10.5
397.13190	46.9
415.14606	17.3
595.42291	9.1
689.34882	11.2
779.22632	10.6
871.53430	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	975.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22868	1.7
69.23281	5.8
73.62949	0.8
90.02156	0.7
98.20645	0.8
107.01293	1.3
109.99976	6.0
111.00755	2.2
123.00768	2.7
124.01606	1.8
125.02354	1.1
136.98676	1.0
137.02309	2.6
137.99461	2.8
139.00270	9.2
144.37473	0.7
149.02388	0.8
151.00266	8.1
152.00993	1.0
158.61827	0.8
161.02342	0.9
163.00139	1.0
163.02466	0.7
164.01093	2.6
165.98988	8.8
166.99738	4.4
169.01357	1.3
177.01869	1.5
178.99777	12.5
187.03923	0.9
192.00655	1.4
194.99312	2.5
201.01920	0.7
203.03439	2.2
204.04076	0.8
208.59001	0.8
214.02657	6.1
215.03435	2.3
220.03537	0.8
231.02892	1.7
232.03734	1.0
242.02011	4.6
243.02942	3.7
258.01678	2.3
259.02441	5.3
270.01749	4.9
271.02481	24.4
272.02905	1.3
286.01279	4.0
287.01944	29.8
288.02652	3.5
303.01422	3.2
314.00204	0.8
315.01520	11.6
316.02213	100.0
317.02789	17.6
318.02893	1.6
331.00934	0.9
332.01709	78.5
333.02310	16.3
334.02509	1.1
479.08276	70.6
480.08682	9.0
481.08813	1.0
494.06781	2.2
495.07758	75.2
496.08258	8.1
588.29761	0.9
765.84985	0.9
786.40961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.251
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99682	0.4
71.04906	1.2
79.01756	0.7
79.05429	0.2
83.01256	0.4
95.01258	0.3
97.02829	0.7
98.20666	0.5
99.04404	0.7
101.03851	0.3
105.03352	0.3
107.01254	0.5
109.02824	1.1
111.00740	1.1
111.52792	0.2
121.02855	0.3
122.03614	0.2
123.00758	0.5
123.04375	1.6
124.01545	2.4
124.98677	1.2
125.02362	2.8
127.03896	1.5
127.05386	1.5
131.04901	0.6
133.02875	0.3
135.00789	1.2
137.02315	0.4
138.03114	0.8
139.00253	0.5
143.04887	0.5
145.06490	3.7
147.04402	0.4
149.02330	0.6
151.00220	0.6
151.03900	0.9
152.01080	1.3
155.04938	0.3
156.00484	0.5
156.05632	0.4
157.06490	0.6
166.02592	0.8
167.03357	0.2
167.08575	0.3
169.01318	0.3
169.06438	0.3
170.02127	0.3
171.04428	1.4
171.08069	0.5
172.05133	0.2
173.05992	9.1
174.06387	0.4
177.01842	3.7
180.00571	0.9
185.09647	0.3
187.33824	0.3
195.08044	0.7
197.05875	0.3
198.06696	0.4
199.07541	0.8
209.09717	0.3
211.07585	0.5
211.11298	0.3
213.09119	1.0
215.07056	0.8
227.10664	0.6
235.07628	0.3
237.09126	1.2
239.07076	2.8
240.07637	0.8
243.06580	8.0
244.06941	0.5
253.08621	1.6
255.02930	0.5
255.10233	1.3
256.07367	1.0
257.08163	9.7
258.08472	0.7
263.07138	0.5
265.05060	0.5
271.02444	0.9
281.08188	15.3
282.08524	1.0
284.06934	1.3
299.09225	100.0
300.02872	1.8
300.09561	8.2
325.20331	0.2
505.07794	0.3
531.11407	0.8
677.15106	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	973.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01760	18.2
80.02096	0.3
109.02835	1.4
116.92744	0.4
121.06497	0.2
123.08041	0.2
125.02319	0.3
125.05957	0.6
149.05983	20.3
150.06337	0.7
167.07027	0.5
169.01286	0.3
171.04414	0.3
183.08067	0.2
185.06117	0.1
193.04984	31.5
194.05354	1.4
196.08870	0.3
209.11772	0.2
211.06010	0.3
211.11223	4.9
212.08308	0.2
212.11484	0.3
213.09177	0.1
219.06511	0.2
250.69704	0.2
253.12302	1.2
255.10245	18.1
255.23376	0.2
256.10553	1.3
269.11902	0.3
277.21686	0.3
297.11298	100.0
298.11636	8.1
298.14346	0.1
397.13419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62108	0.2
69.62520	0.6
79.01762	19.8
80.02096	0.6
92.07499	0.1
100.74115	0.1
109.02840	1.4
116.28130	0.1
116.92708	0.1
120.56606	0.1
121.06454	0.2
123.08025	0.1
124.06664	0.1
125.02352	0.2
125.05970	0.9
131.01193	0.1
147.08040	0.1
149.05983	22.2
150.03217	0.3
150.06326	1.2
155.08600	0.2
159.97667	0.1
167.07053	0.5
169.10147	0.2
171.04437	0.3
178.02547	0.1
183.08144	0.2
193.04988	31.8
194.05327	1.9
194.07057	0.1
194.10921	0.1
195.08025	0.2
196.08876	0.2
209.09627	0.2
211.05994	0.4
211.11226	4.7
212.08423	0.2
212.11644	0.3
213.09227	0.1
218.28111	0.1
225.12898	0.2
253.12225	1.0
255.10239	18.2
256.10599	1.7
269.11877	0.2
282.35886	0.1
297.11304	100.0
298.11646	10.6
299.11926	0.8
309.20731	0.2
379.22720	0.1
819.07300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	42.6
80.96396	12.1
84.26366	7.3
87.00742	8.6
89.02299	33.1
95.01230	8.2
96.95872	13.8
98.24550	8.3
101.02315	32.6
108.19786	7.7
113.02333	23.9
119.03333	13.0
125.02287	13.0
171.10164	25.4
183.13831	15.8
211.13301	100.0
212.13708	69.1
213.13803	26.2
255.23099	9.4
277.21707	84.6
278.22064	52.0
279.22491	18.6
289.18005	8.7
397.13583	38.1
398.13782	32.0
399.14014	24.7
535.28436	8.6
592.26642	9.7
726.37939	9.0
872.49237	13.2
946.51379	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	965.532
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46621	0.1
69.03316	0.2
71.01238	0.3
71.04893	0.2
72.99215	0.2
75.00746	0.3
83.01318	0.1
83.04884	0.3
87.00752	0.2
89.02319	0.3
96.95330	0.1
96.95881	0.8
97.06467	0.2
101.02309	0.3
103.69469	0.1
109.66660	0.1
111.08054	1.3
115.00311	0.2
125.02340	0.8
125.14751	0.2
129.01801	1.5
130.08696	0.2
135.02922	0.2
138.45747	0.1
163.11163	0.2
165.12756	22.3
166.13081	1.0
169.01353	0.6
171.10274	0.2
175.02408	0.2
177.93076	0.1
178.68260	0.1
179.64476	0.1
181.12387	0.2
183.13818	92.6
184.14159	4.1
191.10710	0.3
207.30403	0.1
209.11760	6.9
210.12085	0.4
227.12830	100.0
228.13170	4.7
253.09177	0.2
319.04321	0.2
341.23340	0.2
380.57578	0.2
445.20844	0.5
559.82458	0.2
637.32581	0.3
791.51764	0.2
901.60278	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01759	21.4
80.02094	0.6
98.19843	0.3
109.02819	1.8
116.92752	0.5
123.08028	0.2
125.02345	0.6
125.05962	0.6
149.05980	21.5
150.06287	0.8
155.08580	0.2
167.07028	0.6
169.01297	0.9
171.04338	0.2
177.01837	0.4
178.02596	0.2
183.07968	0.2
193.04984	31.2
194.05330	1.4
196.08850	0.3
211.06036	0.3
211.11220	4.9
211.13100	0.2
213.09154	0.2
219.06458	0.2
253.12303	0.8
255.10223	18.3
256.10486	1.1
269.11935	0.2
278.05267	0.2
297.11295	100.0
298.11639	7.6
598.12091	0.2
633.08221	0.2
682.68518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48930	6.8
71.49303	5.6
83.01260	5.9
107.01266	14.5
125.02335	19.7
137.72675	4.0
150.69194	5.2
151.00311	32.0
167.03423	7.4
169.01372	25.3
176.35762	5.2
177.01933	11.4
178.99803	42.4
193.01404	6.1
227.03342	6.3
231.02907	4.9
243.02782	6.1
259.02399	9.3
271.02371	11.0
274.54361	4.2
281.00797	11.0
283.02536	5.3
287.01904	15.4
309.00317	6.6
309.03769	4.8
312.99887	5.6
314.00381	5.0
315.01401	5.7
316.02203	38.9
317.02927	14.9
324.02554	5.1
327.01508	4.7
335.01855	9.1
351.01477	13.1
363.01291	7.8
365.02884	9.6
379.04770	6.5
389.02750	7.2
393.02530	26.3
395.80466	5.0
435.03510	6.1
469.05624	4.9
479.08148	33.4
493.06229	17.2
496.64136	4.8
527.02826	27.0
541.04291	5.7
569.03552	100.0
570.03967	18.7
571.05054	7.1
587.04614	10.5
597.08698	9.8
605.05737	6.5
749.09961	8.3
767.11346	28.9
929.16229	7.9
996.74597	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	964.51
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70930	24.5
71.01242	28.9
86.61935	7.8
87.00769	10.2
89.02327	20.3
94.03091	8.4
101.02322	20.1
109.55865	7.3
113.02328	9.8
117.59687	8.1
119.03304	9.0
121.02828	13.4
167.42729	8.1
171.10172	9.5
180.81728	7.2
182.36241	7.3
209.04430	9.6
209.11836	8.5
211.13341	100.0
212.13719	55.3
213.13882	27.5
277.21747	35.6
278.21985	33.9
279.22293	11.3
303.72952	8.3
327.21759	11.6
379.12402	13.8
397.13333	24.8
398.13815	22.6
399.14050	21.1
415.14444	10.4
523.53571	8.7
773.19983	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	963.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99708	0.6
69.03300	2.2
69.73049	2.1
71.00851	0.8
71.01247	16.2
72.99168	1.7
73.02810	2.9
75.00749	0.5
81.03314	0.5
83.01263	1.6
85.02306	0.6
85.02817	13.2
87.00729	3.6
89.02308	12.9
89.02846	0.8
95.01253	1.6
95.04881	0.5
97.02805	5.2
97.06467	0.6
99.00778	0.9
101.02317	13.1
111.00732	0.5
111.04379	0.7
113.02325	5.7
114.27850	0.5
116.92762	1.0
119.03377	4.1
119.08504	0.6
125.02314	5.0
125.09594	0.7
127.11182	1.5
131.03380	0.6
137.09642	2.6
139.03864	0.6
143.03398	2.2
161.04478	2.4
165.30272	0.5
171.10172	31.1
172.10527	1.2
179.05511	2.4
183.13855	3.3
196.63036	0.4
201.11255	1.1
203.10526	0.5
209.11745	0.8
211.13335	5.9
217.07100	0.6
221.06592	1.3
221.11768	1.1
229.14333	3.9
235.08087	3.6
239.12761	1.0
251.16472	0.5
253.09261	1.0
255.23254	36.0
256.23581	3.0
263.07724	0.4
277.22031	0.5
287.07690	1.3
291.19656	2.0
305.08835	1.8
309.20697	7.7
323.09702	1.3
327.21735	100.0
328.22083	7.5
351.21860	0.6
379.12460	0.8
397.13455	51.8
398.13901	3.7
415.14545	15.2
416.14807	1.5
449.04715	0.5
565.44678	2.1
653.37665	5.7
654.37225	0.8
679.03522	0.6
707.35059	6.6
707.46820	0.9
708.35376	0.9
725.35797	3.9
726.36115	1.0
941.71667	0.5
946.54041	0.5
963.59021	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	961.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54150	0.4
69.03330	1.6
71.01250	16.6
72.99178	1.4
73.02813	2.6
74.90387	0.3
75.00751	0.4
78.94971	0.3
78.95775	0.5
81.03332	0.7
83.01251	1.4
83.04874	0.8
85.02822	3.9
87.00747	4.7
89.02312	13.7
95.01244	1.1
96.95879	1.2
97.02826	2.2
98.20553	1.2
99.00778	0.8
99.04395	0.7
99.15947	0.4
101.02315	14.6
109.02802	0.4
111.00782	0.4
111.04391	0.6
113.02331	7.1
115.03881	0.4
119.03365	3.6
119.73778	0.4
121.02801	0.5
123.04414	0.3
125.02334	6.7
131.03415	0.8
133.04938	0.4
139.03908	0.5
143.03398	2.8
147.31708	0.4
149.04486	0.4
161.04454	3.5
179.05504	3.6
183.13820	6.8
184.13940	0.5
193.12244	2.3
204.23656	0.3
211.13326	100.0
212.13641	4.8
217.07121	0.6
221.06631	1.5
229.60420	0.7
235.08192	5.2
253.09215	1.0
255.23233	0.7
259.08167	0.6
277.21704	55.7
278.22034	4.5
287.07581	1.7
305.08771	1.7
323.09827	1.1
379.12430	12.8
380.12784	1.0
397.13455	42.5
398.14001	2.7
415.14560	7.8
416.15030	0.5
591.26520	9.0
592.26959	1.3
609.27600	7.1
610.28192	0.8
657.35071	3.1
675.35968	6.0
676.35785	0.5
731.58398	0.4
733.84448	0.4
789.40839	0.4
864.63202	0.4
869.49194	2.4
922.55066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03352	0.9
71.00849	0.9
71.01253	17.5
71.20242	0.5
71.20580	1.1
72.99175	2.0
73.02818	2.7
83.01273	1.6
85.02821	4.3
87.00744	4.9
89.02316	14.0
95.01268	1.1
96.95892	3.4
96.96794	0.7
97.02843	3.8
99.00745	1.1
101.02325	12.7
111.04387	0.8
113.02331	7.4
119.03391	4.6
124.01655	0.5
125.02330	7.2
127.03894	0.6
131.03397	0.7
133.04929	0.8
141.01823	0.6
143.03410	2.6
161.04451	3.8
167.14267	0.6
179.05524	3.5
183.13873	6.4
193.12265	2.6
207.10025	0.5
209.11676	0.7
211.13339	100.0
212.13763	4.7
217.07069	1.1
221.06624	1.6
235.08153	4.9
253.09206	0.8
259.08084	0.6
277.21725	60.0
278.22006	3.7
287.07788	2.2
291.23227	0.5
305.08722	2.2
323.09903	1.3
327.21637	0.5
344.59488	0.5
379.12445	13.8
380.12686	1.1
397.13498	42.0
398.13693	3.3
415.14627	7.4
539.79834	0.6
591.26501	8.7
592.26898	0.9
603.68549	0.7
609.27625	5.4
610.28180	0.8
657.34698	2.8
657.44952	0.5
675.35864	4.5
676.36139	0.7
836.33295	0.7
869.49622	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	961.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	1.2
71.12560	1.0
73.02797	0.5
79.01762	7.1
81.52160	0.5
84.31997	0.5
88.98699	0.6
91.05414	0.7
94.95499	0.5
97.77377	0.4
101.02330	0.9
105.01792	0.5
107.01244	0.7
107.04946	0.6
108.32838	0.5
109.02860	0.8
111.04394	4.2
119.04889	0.6
123.04392	1.5
125.02343	1.7
135.04420	5.9
136.05147	0.6
145.06490	1.8
151.00334	2.7
151.03912	1.7
153.05475	0.8
155.08569	0.6
163.00392	0.9
164.04691	2.0
169.01338	1.2
169.57001	0.5
171.04440	1.4
177.01790	0.6
178.99788	1.7
179.03397	7.2
182.28505	0.5
183.08055	1.6
185.80202	0.6
192.04207	1.8
197.09698	1.3
197.11679	0.9
199.03987	0.8
206.51089	0.6
209.11717	1.5
211.13274	2.7
213.09148	0.7
224.03242	1.6
227.03477	1.9
232.13893	0.5
239.10718	4.6
240.04225	0.5
241.01598	0.8
241.08701	2.0
242.02266	0.8
243.02983	2.7
255.02963	4.7
255.10258	2.9
256.03531	1.1
264.47144	0.5
265.08447	0.6
270.01834	0.6
271.02484	14.0
272.03040	1.4
283.09753	100.0
284.03314	1.4
284.10074	7.9
285.03970	1.2
291.19525	0.9
293.21249	0.6
299.01974	6.7
300.02734	19.8
301.03247	2.2
309.20654	2.5
311.01855	1.3
312.02817	1.1
313.03503	2.4
340.02271	2.5
341.02951	2.8
345.07712	0.9
364.96335	0.6
369.70383	0.6
373.07178	0.9
397.13553	2.1
410.40430	0.5
419.07913	0.6
429.05850	0.5
446.06384	1.1
447.06937	3.1
512.09821	0.7
531.11456	5.6
571.10767	1.6
617.12775	1.1
618.14362	1.2
677.15094	40.6
678.15308	6.1
714.34637	0.6
944.99414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61319	16.0
71.01263	23.5
71.28888	17.4
71.29227	16.0
79.95597	46.4
80.96382	100.0
86.06797	14.7
90.99635	13.5
94.97972	19.2
96.95853	15.4
99.39427	13.9
101.02333	22.6
131.43239	13.5
209.11821	26.5
255.23283	23.7
310.28653	17.2
408.63022	15.5
566.39417	16.4
586.75452	16.6
709.38623	19.9
710.38202	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01736	1.0
68.99663	1.0
69.25539	2.3
69.25957	4.4
72.99183	0.7
83.01257	3.4
95.01264	2.3
96.99179	1.3
99.00761	0.9
106.00486	1.9
107.01274	9.0
108.99201	1.2
109.02823	2.3
109.99980	6.6
111.00759	9.3
123.00755	6.2
124.01551	2.3
124.98709	1.6
125.02326	8.3
127.00240	2.0
135.00778	1.3
135.04385	1.2
136.98682	3.0
137.02348	5.6
137.99483	3.3
139.00253	14.5
141.01846	1.2
141.99106	0.6
143.04921	0.9
147.04384	1.1
148.98677	1.7
149.02325	1.3
149.99512	2.9
151.00272	42.7
152.01009	2.2
153.01830	3.2
153.98924	2.1
154.99777	11.1
159.04442	2.3
161.02347	2.3
163.00267	3.8
163.03937	0.8
164.01059	2.9
164.98199	4.4
165.01813	3.7
165.98993	9.0
166.99733	7.5
168.00557	5.8
169.01343	3.9
171.04366	1.0
174.03127	1.7
175.03949	2.5
177.01857	3.5
177.98964	3.1
178.99777	73.8
180.00253	4.0
181.98480	2.4
185.02376	0.9
187.03946	1.8
189.01819	1.3
190.02640	2.0
190.99831	3.7
191.03419	3.4
192.00572	1.3
193.01376	3.6
194.99237	9.6
197.00867	2.6
203.03432	5.3
204.97806	1.4
205.01295	2.9
205.98322	1.0
206.01939	0.7
206.99365	1.4
207.02924	2.1
207.99971	1.3
209.00806	1.3
213.01868	3.8
214.02580	3.0
215.03432	3.0
217.01396	2.2
218.02010	1.2
219.02946	3.8
221.00789	1.8
222.98776	3.4
223.99460	1.4
229.01355	1.4
230.02147	1.1
231.03040	4.0
232.03734	0.9
233.01015	1.8
233.04453	3.8
235.02434	1.2
241.01321	1.9
242.02193	4.0
243.02930	5.3
245.00856	2.8
246.01747	1.0
247.02428	1.4
248.03195	3.4
249.03914	1.2
257.00894	2.4
258.01541	2.2
259.02481	8.9
261.00366	2.2
261.04144	0.8
263.01901	1.0
266.91400	0.8
270.01614	3.5
271.02429	17.4
272.02832	1.8
273.00317	0.8
275.01971	3.2
276.02524	2.0
277.03378	1.3
285.00525	1.7
286.01306	1.6
286.98776	1.4
287.01956	26.2
288.02515	2.1
302.00571	1.3
303.01450	15.5
304.01941	2.8
305.02859	1.9
312.99939	4.7
314.00516	0.9
315.01553	7.6
315.07132	0.9
316.02222	46.4
317.02914	12.7
318.03183	1.3
320.01627	1.6
330.00058	0.9
331.00946	52.4
332.01694	43.9
333.02426	12.1
343.06726	7.5
348.01236	14.9
349.01816	5.8
355.06726	4.3
397.81329	0.8
407.37326	0.8
451.08807	3.9
463.08813	59.5
464.09280	5.4
477.06857	3.8
478.07831	0.9
479.08316	57.2
480.08633	4.9
494.07022	2.1
495.07770	100.0
496.08160	10.5
733.11237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07298	27.6
82.28695	5.4
83.01244	15.9
99.53330	5.4
107.01271	35.7
125.02341	21.3
151.00258	93.2
169.01305	29.3
177.01849	8.6
178.99745	100.0
193.01350	26.5
225.01759	7.7
229.01424	6.0
241.01297	12.0
253.01314	10.6
281.01001	27.1
286.01144	6.3
291.02753	8.2
298.01083	38.5
299.01825	12.3
315.01395	9.3
319.02429	8.2
331.02859	6.6
333.04062	7.0
335.02011	10.2
349.03683	15.1
361.03839	8.0
377.02936	20.0
387.01434	10.9
389.02997	7.7
391.00934	18.6
393.02499	11.2
405.02377	13.7
415.00989	6.3
419.00406	6.8
432.00937	7.6
433.01993	38.6
434.02109	8.5
443.00046	8.9
461.07346	10.5
523.03198	7.0
525.00647	6.5
540.55139	5.8
541.04004	10.4
543.01978	12.4
557.04358	6.3
585.02863	34.2
613.01068	67.7
614.02374	7.2
732.09497	5.6
747.08429	64.7
765.09613	13.1
775.07941	57.0
776.08136	12.3
777.10553	5.6
793.09375	25.0
937.13080	9.0
955.14001	20.6
956.14624	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	954.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.8
70.72031	1.5
75.03392	0.8
80.19663	0.9
81.03343	1.7
83.01249	1.3
93.03373	0.8
95.01274	2.9
96.04419	1.5
97.02845	1.1
105.03358	0.9
109.02828	6.8
112.17564	0.8
118.02912	1.5
122.02354	1.3
123.00760	6.7
124.01558	3.3
125.02333	65.7
126.02694	1.9
137.02341	23.9
137.03328	1.6
138.02956	0.8
139.03899	2.0
148.03946	1.1
149.02379	4.9
151.03853	1.1
161.02345	6.7
164.01268	1.3
164.03445	14.7
165.01837	3.7
166.02541	1.4
166.99803	4.6
167.03410	3.5
168.00575	4.9
169.01329	100.0
170.01720	1.9
173.02347	2.1
176.03439	4.0
177.01872	6.6
179.03419	2.7
181.01347	4.7
188.03366	1.1
189.64011	0.9
190.01294	1.4
193.01236	1.8
200.03462	4.8
208.02443	23.0
225.05528	1.1
229.01488	1.2
229.05067	1.3
231.06555	8.1
241.04967	1.3
258.07651	1.1
269.04578	4.1
273.07663	3.1
287.05649	2.2
299.05481	1.2
300.08868	1.1
305.06622	6.2
308.05582	2.9
317.06567	1.5
326.06659	7.9
327.07208	1.6
329.02899	2.2
331.04401	1.0
340.04425	1.5
344.07712	25.0
345.08331	1.6
432.75476	1.0
452.09552	1.3
456.06772	2.8
457.07858	7.8
478.07712	3.6
496.08826	43.7
497.09134	5.6
658.02454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74150	0.1
68.99699	0.4
72.38880	0.1
79.01757	1.5
83.01263	0.3
90.36945	0.1
96.95913	0.2
109.02855	1.0
111.00797	0.2
114.12509	0.1
116.92736	0.2
119.04928	0.6
121.02842	0.7
122.03637	1.5
123.00729	0.1
123.04420	0.4
125.02342	0.3
125.06009	0.4
133.93245	0.2
135.04440	0.2
137.02347	1.0
138.03131	0.4
145.46701	0.1
147.04398	0.2
149.02348	5.4
149.05977	0.6
150.03133	34.2
150.21696	0.1
151.03552	1.1
151.60489	0.1
152.04730	0.5
155.03342	0.2
163.03937	2.1
163.05244	0.2
166.02623	0.1
167.07068	0.8
171.04517	0.2
177.01854	1.1
177.05505	0.2
178.02637	35.5
179.02972	0.9
182.02090	0.4
183.01045	0.1
183.08075	0.1
191.03384	1.2
193.04964	1.3
205.04973	0.6
210.01639	5.4
212.08418	0.3
226.09845	0.1
240.07919	0.2
245.62204	0.1
253.08644	1.0
254.09470	4.4
255.10196	0.8
281.08191	1.6
282.08981	17.1
283.09262	1.1
286.08401	0.3
297.11325	100.0
298.11664	7.8
314.08026	1.0
318.07376	0.2
397.13538	0.3
710.46973	0.1
843.84711	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	953.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27879	0.8
69.28276	2.2
71.01244	0.8
83.01288	0.3
89.02316	0.6
97.02415	0.3
99.46841	0.3
101.02345	1.4
107.01248	1.5
108.02076	1.1
109.02853	0.7
113.02291	0.6
115.03650	0.3
121.02852	0.7
124.01563	0.4
125.02303	0.7
135.00760	0.6
137.02318	0.3
148.01591	0.9
150.99141	0.5
151.00266	5.1
161.04427	0.3
163.00262	1.3
164.01021	0.4
165.12704	1.6
169.01329	1.0
175.03925	0.3
178.63148	0.3
178.99748	2.5
181.07919	0.3
183.04456	0.5
183.13820	15.4
184.14163	1.0
187.03984	0.5
199.03925	1.0
201.01810	0.4
209.11783	0.3
211.03951	0.6
215.03464	0.5
216.04185	0.6
226.02657	1.2
227.03450	2.6
227.12856	1.2
239.03490	0.3
242.02173	0.3
243.02962	8.9
244.03465	0.6
245.04546	0.4
253.09276	1.3
254.02194	1.3
255.02960	21.0
256.03329	1.5
271.02466	51.6
272.02866	3.9
283.02423	0.5
287.01935	1.0
299.01962	6.0
300.02731	100.0
301.03351	16.3
301.07010	0.5
302.03784	0.8
316.02243	5.4
317.02985	1.2
429.08469	0.7
447.09442	0.4
463.08856	7.2
463.21857	26.7
464.08817	0.6
464.22275	2.6
489.10370	98.5
490.10721	10.2
773.66132	0.4
837.14227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72615	3.0
71.01249	11.0
73.44337	3.5
75.00732	3.0
80.29733	3.4
85.02829	4.3
87.00776	3.8
89.02328	13.6
99.36884	3.9
101.02297	11.7
113.02349	5.3
115.17233	3.5
116.92732	12.3
119.03378	6.3
120.33826	3.2
125.02354	7.5
161.04437	5.3
170.45656	3.1
179.05418	3.7
209.11777	100.0
227.12846	17.3
229.24306	4.1
235.08118	5.0
253.09344	4.0
277.21704	53.8
278.22003	4.1
283.08316	3.7
297.11261	7.5
323.58139	3.3
379.12381	20.1
397.13477	62.8
398.13757	4.4
415.14658	9.3
589.25183	9.4
607.26288	6.7
657.34930	7.8
675.35767	9.5
953.48737	41.7
954.49640	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	948.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	22.4
71.49252	29.7
71.49629	21.7
75.98208	19.8
82.52164	18.0
125.02298	40.1
154.58734	19.0
158.21280	17.6
184.10760	15.8
191.05539	28.0
209.11726	100.0
227.12726	17.9
236.75148	18.3
247.60617	17.8
277.21600	42.8
278.21960	34.9
278.27252	16.7
375.24548	20.0
397.13327	25.3
415.13928	18.5
478.21902	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	948.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00443	100.0
78.82851	29.1
84.86763	23.7
89.02313	26.4
93.65467	24.7
93.93517	23.4
101.02338	28.5
120.91891	28.9
125.02315	29.1
209.11748	58.4
277.21768	61.1
278.21884	30.5
337.22751	27.4
346.04837	26.0
397.13651	80.6
539.52118	35.7
753.43781	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89877	1.4
79.01761	20.0
80.02074	0.4
96.95898	1.6
109.02835	2.0
125.02313	0.7
125.05972	0.9
144.34290	0.3
149.05984	21.1
150.06310	1.1
167.07114	0.4
169.01344	0.5
193.04987	30.2
194.05283	1.5
211.11211	5.7
212.11546	0.5
253.12302	1.0
255.10249	16.6
256.10516	2.0
297.11301	100.0
298.11673	9.4
299.11957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	1.5
71.01255	15.6
71.50308	0.8
71.50729	1.3
72.99172	1.1
73.02831	2.0
73.32012	0.8
81.03357	0.9
83.01252	1.2
85.02829	3.6
87.00761	3.2
89.02315	14.6
95.01275	1.2
95.55125	0.9
97.02837	2.9
99.00760	1.1
101.02316	11.2
101.89686	0.8
111.04440	1.0
113.02325	7.4
116.92722	1.7
119.03406	3.8
125.02313	7.6
131.03313	0.8
143.03403	2.3
153.12735	1.4
161.04460	2.8
168.52179	0.9
169.01309	1.6
169.12251	7.0
171.10178	1.9
179.05551	4.1
180.36351	1.0
197.11755	100.0
198.12059	5.2
209.11755	2.9
211.13339	1.3
217.07224	1.1
221.06660	2.6
221.84163	0.9
235.08142	4.1
255.23228	2.8
261.15521	1.1
277.21713	46.9
278.22098	3.1
279.22943	1.5
287.07706	1.9
305.08853	1.9
323.09625	0.9
358.10172	1.0
379.12439	16.7
380.12802	1.7
397.13492	42.0
398.13873	2.6
415.14517	7.0
577.25134	10.7
595.26129	8.0
657.34796	2.9
675.35760	3.1
680.96875	1.0
855.47107	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	947.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01761	1.0
69.03317	1.8
69.30762	5.7
69.31189	2.7
81.03330	1.8
83.01250	2.0
93.03304	1.1
95.01261	2.8
97.02817	2.8
99.00742	2.8
99.35949	1.4
105.03299	1.2
107.01298	1.7
109.02821	4.6
111.00757	12.0
113.02331	1.1
117.03394	1.4
117.92398	1.0
119.04921	0.9
121.02825	2.2
123.00774	7.2
124.01558	1.7
125.02331	80.4
126.02657	4.5
127.00230	2.2
132.02043	2.4
133.02820	1.9
135.04433	2.4
137.02330	7.8
139.00259	13.6
139.03944	1.2
140.01089	1.3
141.01833	8.4
143.04938	1.4
145.02875	3.1
147.04373	1.5
149.02382	2.0
151.00261	3.2
151.03853	3.7
153.01840	8.9
154.99785	6.3
155.03426	1.1
157.01271	3.5
159.04324	2.4
161.02344	9.2
162.03087	3.0
163.03906	3.6
165.01846	10.6
166.02582	3.3
166.99770	8.3
167.03387	4.5
169.01324	100.0
170.01697	4.2
173.02324	2.2
175.03839	1.7
175.35684	1.0
176.01019	5.2
177.01851	15.6
177.05498	2.3
178.02275	1.2
181.01283	1.2
182.99243	3.0
183.04453	1.6
185.00824	4.4
185.05894	1.2
187.03894	3.2
189.05460	2.0
190.02762	1.4
191.03432	8.1
193.01308	8.4
195.04485	1.2
199.03917	1.2
201.00206	1.4
201.01903	2.3
201.05502	2.9
203.03389	4.9
205.04935	1.8
211.03912	2.7
213.05573	1.6
215.03413	4.6
217.01312	3.2
217.04890	1.2
219.03003	2.9
227.03439	2.3
229.05028	3.4
231.02899	4.7
232.03508	2.0
233.04526	10.2
239.03468	2.7
245.04541	1.8
249.03632	1.1
255.02838	1.9
257.04465	8.2
258.05139	2.0
259.05991	1.6
269.04462	4.0
275.05661	3.0
287.05536	3.0
301.03494	20.3
302.04141	4.3
303.04993	4.0
305.06589	4.0
317.02985	2.0
319.04593	15.8
320.04602	2.2
321.06018	6.7
337.05554	6.0
403.06668	2.5
445.07761	2.1
457.07599	2.6
471.05646	3.5
472.06384	1.2
473.07004	4.0
489.06821	12.7
552.95544	1.3
605.30371	1.1
714.60803	1.1
942.22150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99704	1.2
71.01254	17.7
71.50335	2.0
71.50723	1.6
72.54912	1.1
72.99195	1.1
73.02810	2.5
75.00726	1.1
79.95637	1.3
80.96359	1.9
81.03347	2.3
83.01273	2.1
83.04897	5.8
85.02809	3.9
87.00746	4.4
89.02323	13.1
91.03973	1.4
95.01263	1.3
97.02813	2.8
99.00733	1.7
101.02314	11.4
113.02311	8.0
119.03407	4.5
125.02349	6.8
133.76047	1.2
135.38884	1.1
137.75728	1.1
143.03404	2.5
161.04440	4.0
161.96245	1.2
163.11162	3.6
165.12842	1.5
175.02428	2.1
179.05498	4.0
201.23294	1.2
209.11763	100.0
210.12085	4.4
210.65018	1.2
211.13327	1.6
225.11278	2.4
227.12863	12.2
228.13120	1.5
235.08183	6.5
277.21719	57.7
278.22116	5.8
287.07712	1.8
305.08771	1.7
379.12509	9.4
397.13443	47.2
398.13696	3.5
415.14462	8.5
516.44141	1.2
589.24811	2.6
607.25439	2.8
675.36218	2.9
792.31689	1.3
885.47217	4.9
945.47430	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	944.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39863	61.2
71.01256	24.4
71.10802	7.9
72.99185	9.3
75.00716	11.5
79.95585	7.1
80.96360	9.1
87.00737	10.3
89.02322	11.5
97.02838	9.3
101.02341	15.8
109.06463	11.9
113.02325	9.0
113.59933	6.3
114.93336	8.2
115.00220	7.9
123.14445	6.9
125.02287	11.0
140.12880	8.2
141.13071	7.0
142.99757	7.0
146.18593	6.9
163.11157	10.6
164.37335	6.1
174.01598	8.6
207.10236	21.7
208.10429	9.7
209.11755	69.9
211.13280	25.3
225.11256	17.8
227.12788	13.3
235.08237	9.1
255.23334	7.0
271.83197	6.8
277.21701	100.0
278.22049	14.2
379.12112	11.2
382.42694	7.0
397.13522	34.9
398.13971	11.9
399.26880	7.9
415.14502	10.8
707.43866	10.0
832.95288	9.1
884.47516	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01752	0.4
68.99677	0.5
71.01806	0.1
71.49436	0.1
81.03336	0.2
83.01254	2.4
84.62943	0.1
95.01266	0.1
96.95869	0.4
107.01269	6.2
107.76373	0.1
108.02071	0.2
109.02799	0.1
115.05408	0.3
120.02083	0.2
120.67815	0.1
125.02342	0.7
126.90420	0.1
127.05463	0.2
130.04132	0.2
133.02856	0.9
136.01495	0.1
141.06987	1.0
143.04889	0.2
144.99820	0.1
145.06482	2.6
147.04482	0.1
151.00272	11.2
152.00648	0.5
155.08514	0.3
157.06525	0.2
164.01068	1.1
165.06990	0.3
167.05013	0.1
167.08595	0.2
169.01324	0.5
169.06493	2.5
170.06862	0.2
171.04424	6.7
172.05167	1.3
177.01868	0.4
181.06538	0.1
183.08069	1.7
184.08464	0.1
185.05960	0.2
187.07591	1.2
191.05490	0.1
193.06534	0.6
196.00060	0.2
196.05127	0.1
197.11737	0.1
200.17374	0.1
209.06001	0.3
209.11736	0.8
211.07576	8.7
211.13219	0.3
212.07910	0.5
213.05499	1.9
214.05876	0.1
227.07106	0.1
227.12816	0.1
237.05469	0.9
253.05061	0.5
255.06592	100.0
256.06934	5.8
256.09665	0.2
268.76404	0.1
309.20740	0.2
599.84290	0.1
710.54742	0.1
754.46399	0.1
889.17029	0.2
910.92413	0.1
945.42462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26132	4.5
92.67094	1.8
95.01253	2.9
107.01291	8.4
123.00742	8.5
124.01570	1.9
137.02269	2.1
139.00241	3.0
141.51517	2.1
151.00270	30.8
152.01045	2.3
159.04402	2.4
164.01070	2.3
166.99780	2.8
169.01324	6.2
175.03888	2.6
178.99760	38.4
187.03886	3.6
189.01886	2.3
193.01256	2.2
194.99368	1.9
201.01810	3.3
203.03461	4.8
213.01753	3.1
214.02637	5.1
215.03329	4.2
217.01337	5.6
218.02069	6.7
219.02919	2.0
229.01285	5.3
230.02130	2.3
231.02895	4.0
241.01384	2.3
242.02155	3.0
243.02917	6.2
245.00780	2.4
246.01524	5.3
257.01083	4.1
258.01862	2.2
259.02417	10.9
270.01697	3.3
271.02460	24.1
274.01282	1.9
278.00552	2.7
287.01950	41.9
288.02335	3.9
298.01160	2.4
301.03531	7.1
303.01483	4.0
312.99820	5.1
313.19547	1.9
315.01501	5.7
316.02234	68.0
317.02911	24.6
330.00092	5.9
331.00885	25.4
332.01773	12.0
333.02283	10.1
393.02725	3.1
461.07187	5.5
463.08813	100.0
464.09113	10.0
477.06781	57.5
478.07358	23.5
479.08133	10.2
527.02332	2.8
569.03613	9.9
833.06537	2.3
897.16913	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82138	0.5
70.82494	0.8
84.43322	0.3
95.01266	1.0
96.99159	0.4
107.01263	1.7
109.02824	1.5
109.99981	7.2
111.00751	3.1
123.00747	2.1
124.01536	1.7
124.98743	0.5
125.02336	1.1
125.99384	0.5
136.01582	0.5
136.98685	1.4
137.02347	3.2
137.99495	2.6
138.99274	0.7
139.00273	11.9
140.01067	0.4
150.99139	0.6
151.00262	7.6
151.02835	0.4
152.00980	1.7
152.02086	0.4
153.01871	0.4
158.79425	0.3
161.02376	0.7
163.00269	1.4
164.01083	2.6
164.98172	0.6
165.01839	0.9
165.98978	9.9
166.99756	4.5
169.01357	0.4
171.04411	0.4
175.03882	0.6
177.01892	0.7
178.99770	9.6
179.03198	0.4
180.00314	0.9
187.03880	0.7
190.02695	0.6
190.99765	0.5
192.00562	1.2
193.01387	1.0
193.98514	0.9
194.99274	2.7
199.03883	1.1
202.02599	0.6
203.03424	1.6
205.01378	1.0
206.02197	0.5
206.78560	0.4
206.99263	0.6
213.01859	0.5
214.02654	4.0
215.03384	1.0
217.01427	0.7
218.02142	0.5
219.03011	0.9
220.03680	0.6
227.03220	0.5
229.01357	0.5
230.02156	1.1
231.02933	1.6
232.03595	0.5
235.81143	0.4
242.02185	4.0
243.02922	3.3
258.01633	2.5
259.02417	5.6
260.03146	0.5
270.01675	4.2
271.02475	23.4
272.02869	1.6
275.01962	0.9
286.01193	3.4
287.01959	24.3
288.02512	2.3
289.03598	0.6
303.01437	3.4
304.02072	0.5
315.01468	7.6
316.02216	64.6
317.02863	15.0
317.06625	0.6
318.03320	1.2
331.00909	1.0
332.01715	60.0
333.02402	17.7
334.02817	0.7
463.08807	78.6
464.09116	7.4
478.07571	1.7
479.08286	100.0
480.08630	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	941.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02579	1.6
70.98301	4.4
70.98636	1.7
83.01257	7.9
103.24544	1.8
107.01279	20.9
124.01595	2.4
125.02341	7.7
125.48770	1.8
126.21808	1.8
151.00276	67.2
152.00955	6.0
158.15826	1.8
159.55736	1.7
161.02365	2.7
169.01299	12.3
175.03825	2.0
177.01868	3.4
177.45880	1.6
178.99789	60.4
190.99739	1.9
191.03380	2.2
193.01341	12.0
199.03944	2.0
202.64838	1.7
203.03352	5.2
205.01353	2.2
213.01839	4.1
215.03380	2.6
217.01309	3.4
225.01802	2.8
227.03546	4.1
229.01349	6.4
230.01912	3.5
231.02910	4.2
241.01334	4.1
243.02881	3.9
245.00873	2.3
247.02516	2.2
253.01405	4.3
255.02946	3.9
258.01672	4.0
259.02502	10.7
263.03418	2.6
265.05084	2.3
267.02924	3.2
269.00821	4.8
270.01425	1.8
271.02435	7.4
272.03131	3.3
279.02957	4.3
281.00888	6.9
281.04263	2.3
282.01550	2.3
283.02350	4.5
285.00418	2.0
287.01938	8.2
293.04523	7.8
295.02393	5.2
297.04105	2.2
298.01138	15.6
299.01773	4.4
303.02820	3.2
305.04428	3.9
307.02423	5.4
309.00391	3.8
309.03986	3.8
311.01990	5.0
312.02628	5.0
315.01471	9.7
316.02167	6.8
317.04620	2.3
319.02414	5.1
320.02960	2.9
321.03998	8.0
323.01907	2.3
324.02469	1.8
327.01425	5.5
332.02872	1.8
333.03906	6.8
335.02057	9.1
337.03268	4.9
345.03827	2.3
347.01883	5.0
348.02686	2.7
349.03470	10.7
350.04279	2.9
351.01370	21.3
352.01544	2.9
356.01724	3.1
357.02527	3.4
359.02148	2.2
361.03448	4.9
363.01068	8.5
364.02167	4.2
365.02924	20.9
366.00082	3.1
373.03223	2.3
375.01199	4.5
376.01886	2.8
377.02914	9.2
378.03391	3.5
379.04846	2.4
388.01849	2.2
389.02966	13.5
390.03510	3.2
391.00909	5.4
392.01636	3.2
393.02481	31.5
394.02921	6.5
395.04037	3.3
404.01047	2.3
405.02481	5.6
406.03238	4.3
407.03976	4.9
416.01575	3.2
417.02469	6.7
433.02029	12.5
434.02353	4.4
435.03424	3.8
445.07391	2.1
461.01193	2.0
461.07074	4.6
463.08838	4.1
469.05615	3.2
479.08472	3.7
483.03174	2.1
485.05115	2.2
497.05298	4.8
503.08380	2.3
513.04340	4.6
525.04590	5.5
527.02533	41.2
528.02838	5.2
531.06201	2.5
541.04077	10.6
542.04645	4.8
551.02301	2.6
557.02832	2.2
569.03564	100.0
570.04272	19.3
571.05127	13.3
581.09412	6.6
585.02948	5.5
587.04126	4.4
597.08606	5.1
613.02722	12.8
689.11267	7.2
705.10291	3.1
731.08521	10.4
733.10675	11.0
749.10370	8.8
751.11414	19.4
752.11993	2.3
759.08838	12.8
777.09198	6.1
851.17328	2.6
897.16840	15.4
898.18073	2.4
905.13721	5.9
923.15576	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	939.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	19.2
72.99179	1.1
73.02811	3.3
79.34498	1.1
82.15979	1.1
82.35928	1.1
83.01270	1.3
85.02828	5.7
87.00742	3.0
89.02311	12.1
95.01258	2.3
97.02821	4.7
98.19869	4.0
101.02316	15.5
113.02325	6.8
116.92667	1.3
119.03387	3.4
125.02332	5.8
133.04941	1.3
143.03415	2.7
156.10857	1.3
161.04395	3.7
179.05545	3.3
183.13785	6.8
186.50182	1.1
193.12196	1.6
211.13327	100.0
212.13704	5.5
235.08176	5.9
236.78178	1.2
255.23268	59.5
256.23569	5.7
287.07672	2.8
305.08792	2.3
323.09982	2.2
379.12469	17.0
397.13446	38.2
398.13956	3.4
415.14423	7.9
483.40320	1.2
591.26501	9.9
592.26660	2.4
609.28076	5.9
635.36951	6.2
653.37347	7.3
847.50549	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	939.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	17.1
71.48843	1.7
72.99184	1.3
73.02821	2.7
83.01254	1.8
85.02819	4.8
87.00756	4.6
89.02311	12.3
95.01273	1.6
97.02890	1.2
99.00713	1.4
101.02332	11.7
113.02309	6.5
119.03398	4.6
125.02341	6.3
143.03391	2.3
152.89851	1.2
161.04436	2.8
179.05499	5.4
183.13898	7.0
193.12251	2.0
201.90945	1.3
211.13341	100.0
212.13680	5.5
217.07178	1.7
224.61974	1.3
235.08139	3.5
237.81157	1.7
255.23274	50.6
256.23575	3.4
279.34619	1.3
287.07767	1.9
379.12415	13.7
397.13513	31.5
415.14499	5.7
445.13007	1.5
591.26648	11.4
609.27545	8.2
610.27106	1.5
635.36627	4.8
653.37421	5.7
821.64551	1.5
847.49780	2.9
924.10767	1.4
949.44470	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	939.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88002	0.5
70.89951	0.2
79.01759	18.1
80.02104	0.6
89.03177	0.2
109.02829	1.3
113.78790	0.2
115.96398	0.2
117.83577	0.2
121.06505	0.4
125.02312	0.4
125.05946	0.5
149.05981	19.6
150.03087	0.3
150.06288	0.9
167.03354	0.2
167.07082	0.4
193.04984	28.8
194.05344	1.2
196.08853	0.3
211.06032	0.3
211.11241	4.4
212.11674	0.3
213.09128	0.2
244.51994	0.2
251.58305	0.2
253.12234	1.1
255.10240	16.4
256.10626	1.3
283.09680	0.5
284.10086	0.3
297.11298	100.0
298.11649	8.9
322.97571	0.2
352.89920	0.2
397.13492	0.3
448.61758	0.2
481.22403	0.2
708.43646	0.2
831.98340	0.2
939.48029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.5
70.89156	0.6
70.89503	1.3
71.01209	0.8
80.62668	0.6
81.03335	1.5
83.01257	3.6
93.03334	1.9
95.01266	1.6
95.04919	0.8
97.02833	0.8
99.61552	0.5
105.03357	2.0
107.01291	0.7
107.04910	1.1
109.02847	5.3
111.04393	1.0
119.04937	0.8
121.02834	4.1
123.00774	2.7
124.01553	1.5
125.02334	100.0
126.02673	2.3
131.04918	1.4
132.02034	1.0
133.02841	4.0
135.04402	0.9
137.02341	15.6
139.03937	4.1
143.04903	1.3
145.02820	0.7
147.00774	1.1
147.04495	1.1
149.02336	7.8
151.00334	0.7
151.03928	7.4
152.04137	0.6
155.04971	1.0
157.06488	0.9
158.03633	0.6
159.04425	1.7
160.01572	2.5
161.02348	16.1
162.03050	0.8
163.00298	3.8
163.03918	4.9
164.01065	1.3
165.01833	4.3
166.02582	0.9
167.03394	6.8
167.04744	0.9
169.01331	14.6
170.01657	0.8
173.02444	0.7
173.05974	1.3
174.03093	1.2
175.00281	1.5
175.03912	16.0
176.00952	1.1
176.04341	0.9
177.01846	68.0
177.05244	3.2
178.02129	3.2
179.03438	1.8
183.04440	1.9
184.96867	0.6
185.02383	0.7
185.05998	0.9
187.03934	4.7
189.01866	1.8
189.05574	0.8
191.03426	2.3
191.05328	0.7
193.05013	1.8
195.04466	0.9
197.02307	0.6
197.05878	0.9
199.03922	6.8
200.04654	0.7
200.52367	0.6
201.01848	4.4
201.05521	2.9
202.91083	0.7
203.03381	3.0
204.04028	0.7
205.04990	1.9
211.04039	1.6
213.01909	1.4
213.05455	2.2
214.02727	1.1
215.03401	3.1
217.05019	7.5
219.02850	3.3
219.06595	2.2
220.03473	0.6
221.04517	1.5
225.05566	1.5
227.03477	4.0
228.04172	0.9
229.01367	4.2
229.04990	4.7
231.02959	2.9
239.03404	1.6
241.05003	4.2
243.02971	12.2
243.06622	1.5
244.03302	0.8
245.04535	2.4
251.03513	0.8
252.04303	0.6
253.05006	1.8
255.02943	8.1
256.03653	1.8
257.04547	2.1
259.06207	0.7
261.03998	5.4
261.06409	0.6
261.07501	0.5
265.05014	1.0
267.03027	2.4
269.04547	6.3
271.02576	1.0
272.02740	0.6
273.04044	11.2
281.04611	1.0
283.02481	4.7
283.05557	1.0
284.03256	1.1
285.04022	32.1
286.04645	3.5
287.05591	9.6
288.05942	1.1
295.02490	1.5
297.04053	6.7
299.05591	1.8
301.03458	3.8
303.05069	10.2
305.06689	10.2
306.07065	0.8
309.04309	2.9
313.03632	1.2
313.07104	0.9
315.05164	1.7
319.04434	3.5
322.04764	0.9
323.05658	1.5
325.03424	1.2
325.06912	0.8
327.05151	1.7
329.02994	0.7
335.05606	1.2
337.07144	1.8
339.05319	0.9
349.07065	0.7
355.08286	1.2
361.07300	0.7
367.08444	1.1
377.06934	0.8
379.08255	1.9
391.08603	0.9
397.09225	0.8
403.04657	1.1
405.06042	3.9
406.06396	0.8
409.05627	2.3
411.07159	5.7
415.96048	0.8
421.05414	2.3
423.07190	60.0
424.07471	6.6
435.07108	6.4
436.07446	1.3
441.08051	4.5
447.07095	9.0
448.08081	0.7
452.07321	1.1
453.08127	2.2
460.23181	0.7
465.08188	9.4
466.09119	0.9
481.11270	2.0
483.09393	2.2
529.11090	0.8
555.09521	2.4
573.10327	13.6
574.10852	2.7
591.11383	27.5
592.11676	4.6
599.11768	3.2
609.12177	4.3
617.13037	5.4
641.12939	1.0
659.14038	2.2
743.12512	1.5
767.16522	2.1
785.17169	7.9
786.17395	1.4
802.19659	0.8
818.98474	0.7
904.18634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	0.8
71.49303	0.9
81.03335	1.4
83.01246	3.4
83.68718	0.8
89.03832	0.9
93.03347	2.4
95.01234	1.2
95.04900	1.2
97.02837	1.0
105.03337	3.1
107.04907	1.3
109.02840	5.2
121.02842	3.8
123.00767	2.3
124.01529	2.0
125.02334	100.0
126.02665	3.2
130.04184	1.0
131.04906	1.8
132.72156	0.9
133.02832	3.3
137.02350	11.2
139.03955	3.9
143.04839	0.9
147.00806	1.0
147.04321	0.8
148.01479	1.0
149.02327	8.7
149.05927	1.2
151.03876	7.4
159.04408	1.8
160.01544	1.5
161.02345	18.2
161.06081	0.8
162.03059	1.1
163.00272	4.9
163.03831	4.5
164.01129	1.4
165.01855	4.2
166.02608	1.5
167.03404	5.0
169.01340	10.7
171.04523	0.8
173.05984	1.8
174.03137	1.5
175.00278	1.5
175.02518	1.5
175.03922	18.2
176.04433	1.0
177.01852	77.9
177.05267	4.3
178.02190	2.8
179.03410	2.1
183.04486	1.9
185.02477	0.9
185.05957	1.6
187.03952	5.3
189.01889	2.0
189.05472	1.4
190.02469	0.8
191.03366	2.6
193.05008	2.1
198.03058	0.9
199.01207	0.8
199.03934	7.0
201.01901	4.7
201.05490	3.7
203.03407	3.2
203.07132	0.9
204.04074	1.2
205.01396	0.8
205.04996	1.2
211.03847	1.6
213.05476	2.5
214.02739	1.0
215.03441	3.4
217.04991	9.9
219.03055	3.6
219.06567	1.6
225.05482	1.6
227.03471	3.7
228.04120	1.1
229.01376	2.9
229.05003	4.7
231.02969	2.2
237.05542	0.9
239.03429	1.5
241.05064	5.0
243.02956	14.1
244.03300	1.2
244.17682	1.0
245.04492	3.7
253.05069	1.2
255.02951	7.5
256.03659	3.0
257.04532	1.8
261.04028	5.5
267.02902	1.6
269.04541	6.3
270.04703	1.0
271.02408	1.5
273.04041	9.2
281.04446	2.0
283.02527	7.6
283.05756	1.2
284.03186	0.9
285.04034	42.3
286.04468	3.0
287.05582	15.3
288.02658	1.0
295.02551	1.9
297.04083	6.0
298.04846	1.0
299.05630	1.6
300.02707	2.1
301.03494	4.4
303.05035	10.8
305.06671	6.9
309.03998	2.0
313.03619	1.2
313.07056	1.5
319.04526	4.3
323.05609	1.8
327.05042	2.0
329.02731	1.0
337.07059	2.3
361.07245	1.3
365.06766	1.3
379.08246	2.6
387.05240	1.2
403.04486	1.8
405.06033	4.4
409.05566	1.9
411.07074	6.5
421.05618	2.4
423.07208	77.4
424.07623	8.2
435.07190	6.3
441.08347	3.7
447.07190	11.2
448.07678	1.4
453.08136	2.5
465.08136	7.5
466.07693	1.0
481.11078	2.1
487.09631	1.3
529.11395	1.2
555.09320	3.3
573.10205	13.8
574.10724	2.2
591.11420	33.2
592.11749	5.8
599.12225	3.1
609.12701	5.3
617.13141	4.8
618.12982	1.0
641.13513	1.2
659.14624	1.5
743.12329	1.0
767.15289	1.2
785.17505	4.7
930.16937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	2.0
71.01251	11.8
72.99171	1.1
73.02811	1.6
75.00716	0.6
78.95774	0.6
80.02549	1.3
81.03319	2.0
83.01254	1.5
83.04902	3.6
84.02032	1.1
85.02821	8.7
87.00263	0.6
87.00735	2.6
89.02311	9.3
95.01188	0.8
96.95879	10.3
96.96827	0.8
97.02817	2.7
97.06488	2.1
98.20691	0.9
99.00761	1.2
101.02316	8.0
109.02856	0.5
113.02332	4.5
116.92767	2.8
119.03403	1.9
125.02327	7.9
125.05937	0.6
125.09616	0.9
127.11177	0.9
135.08028	0.8
137.09610	1.8
143.03391	1.6
146.71713	0.4
155.10596	1.1
155.14307	0.5
161.04506	2.2
163.11179	3.3
165.12798	2.4
167.03378	1.1
167.14383	0.7
169.01332	4.8
171.10182	20.1
171.11664	1.0
172.10516	1.1
175.11255	0.5
177.01707	0.6
179.05502	3.3
181.12254	1.0
183.13800	3.2
185.11737	1.3
191.10751	0.8
193.12247	0.5
201.11215	0.9
209.11761	59.8
210.12059	2.5
211.13322	12.9
221.06569	1.2
221.11839	1.5
227.12843	7.5
229.14397	8.8
230.14771	0.6
235.08162	2.6
239.12839	1.4
253.09258	1.0
287.07755	0.7
291.19641	4.0
309.20691	8.9
310.20880	0.8
323.09830	0.8
327.21744	100.0
328.22083	7.4
343.21500	0.5
379.12292	0.7
397.13480	32.1
398.13791	1.6
415.14557	17.1
416.14941	1.2
519.33374	1.9
537.34271	1.0
607.25983	2.5
652.77698	0.5
705.38202	0.5
707.34814	3.9
708.34949	1.1
725.35974	3.7
935.45251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87431	1.0
71.28699	2.9
71.29063	1.2
72.19457	1.3
79.42284	1.2
83.43650	1.1
93.43058	1.2
95.01284	2.6
99.60692	1.1
107.01287	1.4
108.11056	1.1
123.00787	3.9
125.02333	11.3
141.03403	1.9
141.88521	1.2
145.02875	2.8
147.04387	2.5
157.02768	1.4
159.04440	3.7
163.03940	3.0
169.01344	8.2
169.02638	1.7
171.04459	2.6
171.15781	1.3
173.02356	3.9
175.03931	2.9
177.01886	2.6
180.10822	1.3
185.02365	3.9
187.03903	2.4
189.01785	1.5
190.02626	2.3
190.99747	1.9
191.03424	3.8
193.01364	3.1
197.02309	1.1
199.04048	1.4
201.01872	6.9
203.03438	9.1
213.01939	2.8
215.03453	2.6
217.01401	2.8
218.02266	1.5
219.02962	1.9
225.01949	1.9
227.03433	4.4
229.01364	10.6
230.02078	2.5
231.02916	10.7
237.05524	1.6
241.01451	2.1
243.03009	8.0
245.00826	5.0
245.04689	1.8
247.02379	2.7
249.03979	19.6
253.01372	4.6
255.03015	2.2
257.00876	10.8
258.01730	8.9
259.02347	4.3
269.00986	2.0
270.98657	1.3
271.02429	8.0
273.00354	6.6
273.03818	1.2
274.01215	15.4
275.01971	100.0
276.02298	5.0
281.01053	2.2
281.04343	1.8
282.01517	2.1
283.02475	2.7
285.03946	1.9
286.01172	2.3
287.02020	6.5
288.02686	5.6
289.03659	1.8
298.98526	3.0
299.01938	62.4
299.99100	5.1
300.02463	5.1
300.99948	52.7
301.03494	8.6
302.00269	3.9
303.01398	5.8
304.02237	1.8
311.02051	4.0
313.03448	1.6
314.00662	5.4
315.01556	4.6
317.02933	8.7
325.03534	2.5
327.01437	3.9
328.02087	1.4
329.03021	14.1
337.03531	3.0
340.02213	2.9
341.02869	4.1
343.01035	2.9
349.03400	2.3
353.03000	1.6
365.03052	5.6
383.04138	4.4
401.05161	3.5
419.06122	3.9
437.07635	1.8
465.67282	1.5
481.06442	4.0
553.06415	1.6
571.07086	8.0
589.08441	1.5
615.06549	3.9
633.07318	37.2
634.07391	3.8
659.04932	4.6
697.26569	1.4
783.06885	3.7
917.07507	2.0
935.07874	22.6
936.08337	4.9
943.92133	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	935.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69572	3.6
66.05310	3.4
71.49005	4.3
71.49401	4.5
95.01231	3.9
103.05351	4.4
115.48883	4.0
123.00758	10.7
125.02352	19.0
147.04494	5.2
159.04411	7.8
169.01306	7.5
169.02690	5.0
173.02399	6.5
175.03885	8.7
177.01910	5.0
185.02367	4.6
187.03896	7.4
189.01826	5.8
191.03455	4.8
198.12169	3.8
201.01857	10.9
203.03430	16.3
213.01860	4.5
217.01375	5.7
220.65318	3.6
227.03339	7.8
229.01289	8.8
231.02849	23.4
242.01915	5.0
243.02873	10.1
245.00894	10.9
248.03281	6.4
249.03995	62.4
250.04581	4.4
253.01505	7.0
255.02876	4.2
257.00897	9.6
258.01788	6.1
259.02582	4.7
265.05081	4.1
271.02408	9.1
274.01117	9.1
275.01935	46.8
281.00919	3.8
282.01703	5.1
287.02045	7.1
288.03085	3.8
291.01456	12.7
293.04691	6.2
298.01099	5.8
299.01938	100.0
299.98956	11.9
300.02084	6.6
300.99850	35.6
301.03168	8.4
302.00378	4.3
309.03946	5.3
311.01923	5.9
314.00467	10.8
315.01508	22.3
317.03027	4.9
327.01520	8.8
329.03003	15.1
337.03256	7.0
343.00974	18.0
348.02823	5.8
349.03564	27.5
350.04111	5.9
365.03064	21.5
367.04651	7.7
383.04132	22.0
419.06232	5.2
493.41614	4.1
571.07202	11.9
573.05145	10.5
633.07404	5.3
746.21661	4.6
873.07361	11.9
917.06293	13.5
935.08148	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	932.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
66.06839	11.2
69.39861	100.0
71.01247	24.3
101.02322	14.3
103.67964	10.5
105.71418	11.2
117.20667	12.7
124.10199	12.7
209.11809	32.9
211.13370	46.9
212.13724	24.5
213.14177	11.0
255.23407	14.3
277.21585	14.2
278.22162	17.5
397.13303	36.9
560.33624	12.8
662.88757	14.2
932.51215	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01238	48.6
71.49403	14.8
72.03288	10.5
87.00749	14.7
88.22720	11.3
89.02294	16.2
95.51755	10.3
96.69608	11.1
101.02316	23.3
103.67369	10.0
114.93240	11.9
125.02341	10.4
176.29224	10.9
209.11789	48.8
210.12000	12.0
211.13350	100.0
212.13681	51.2
213.13852	27.5
227.12788	22.1
233.93134	12.6
235.08107	10.6
255.23218	25.6
277.21674	48.0
278.22061	48.5
327.23886	11.1
379.12451	21.8
397.13449	60.9
398.13773	32.5
399.13797	21.7
769.33789	12.0
915.16711	13.9
932.50952	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86993	0.4
68.95982	0.4
74.29956	0.4
79.01761	59.4
79.75642	0.6
80.02113	1.5
82.78821	0.4
96.67184	0.4
98.20501	1.3
104.72263	0.5
109.02840	4.5
110.05647	0.4
121.06466	0.8
121.27474	0.4
123.08022	0.6
125.02211	0.5
125.05988	1.9
129.06963	0.5
134.12607	0.5
141.06955	0.5
147.08055	0.6
149.05984	63.7
150.06259	2.6
153.52115	0.4
167.07001	3.1
171.04489	1.0
178.02669	0.6
183.08058	0.7
185.06012	0.7
191.05542	0.7
193.04993	81.8
194.05371	3.1
194.07047	0.5
196.08862	0.8
211.06059	0.9
211.11226	19.3
212.08313	0.7
212.11569	1.2
213.09111	0.9
253.12367	4.8
255.10239	53.7
256.10562	3.8
269.11987	0.8
297.11307	91.0
298.11676	5.3
502.29099	0.5
633.19080	0.6
931.30096	100.0
932.30414	30.7
932.49603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00179	3.0
65.64881	0.6
68.99661	1.1
69.03312	0.6
72.25637	0.5
75.00725	0.6
77.03849	0.5
79.01768	6.3
89.02296	0.6
95.42224	0.5
96.52322	0.5
96.68894	0.4
97.02819	2.1
98.20655	1.0
101.51580	0.5
107.01280	0.6
109.02806	0.6
115.00275	0.6
117.03336	1.1
119.04884	0.6
121.02843	6.6
125.02336	1.0
129.01762	0.7
139.03928	1.0
145.02861	2.1
145.06476	1.7
147.04411	1.2
151.00266	0.7
155.08508	0.9
159.08054	1.3
165.01840	8.6
166.02155	0.6
167.92181	0.6
169.01321	0.8
169.06525	0.9
171.04420	4.1
172.05081	0.9
177.46835	0.6
178.02548	0.7
183.08051	3.1
195.13885	0.6
197.09624	1.4
199.07558	0.8
201.09230	1.2
209.11827	1.2
211.13326	1.9
225.09157	7.2
227.03448	8.0
227.07048	2.4
228.03922	0.7
239.12724	0.8
241.08482	0.8
255.02959	16.3
256.03488	2.3
269.08176	100.0
270.08514	10.0
271.08569	0.8
283.02411	1.0
284.00070	1.1
284.03244	22.9
285.03854	2.9
291.19620	0.5
297.83328	0.6
309.20706	0.6
397.13455	1.2
515.11615	0.9
661.15625	28.9
662.15900	3.9
681.08081	0.6
931.46765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57810	0.3
67.01740	0.4
69.03320	1.0
69.37466	2.6
70.21841	0.3
77.08289	0.3
81.03313	0.7
83.01261	1.0
93.03346	0.3
95.01260	1.3
97.02833	1.4
99.00745	1.9
105.03319	0.7
107.01270	0.6
109.02828	2.0
111.00771	4.6
111.04440	0.4
113.02334	0.4
121.02872	0.5
123.00761	5.3
123.04387	0.4
124.01527	1.2
125.02329	59.1
126.02666	2.1
127.00263	0.4
133.02820	0.6
137.02319	4.0
139.00261	8.9
139.03874	1.5
140.01021	0.9
141.01826	4.6
142.02191	0.4
147.04384	0.5
149.02333	1.1
151.00298	3.2
151.03886	2.4
153.01833	2.5
154.02344	0.3
161.02330	4.5
164.01021	0.5
165.01819	2.2
166.02533	0.5
166.99774	5.3
167.03413	4.0
169.01328	100.0
170.01683	4.4
173.02396	0.4
175.03914	1.3
177.01849	8.2
177.05339	0.4
178.02293	1.0
179.03442	0.9
181.01276	0.8
182.99257	3.1
184.00046	0.9
185.00850	3.3
189.05522	0.5
191.03381	0.8
193.01341	1.6
195.02957	0.6
199.03943	0.5
201.01854	1.3
203.03412	0.4
213.05486	0.5
215.03505	0.4
217.01300	0.4
217.04984	1.6
219.02878	0.5
219.06589	0.7
221.04488	0.5
227.03436	0.7
233.04378	0.5
257.04547	0.4
259.06100	1.2
261.03653	0.4
269.04568	1.2
285.04095	0.8
287.05707	2.0
289.03183	0.3
291.04971	0.4
301.03622	0.4
302.03961	0.4
303.05069	5.9
304.05405	0.5
305.06638	5.9
306.06775	0.6
317.02936	0.4
319.04584	3.3
320.05005	2.0
321.06104	17.0
322.06384	1.4
331.04471	1.4
455.06299	1.3
457.07767	9.4
457.13074	0.3
458.08075	0.9
473.07178	9.0
473.13708	0.6
474.07571	1.3
639.90912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83102	0.8
71.01254	20.4
71.48850	0.8
73.02814	2.1
73.51141	0.8
75.00736	1.1
77.14824	1.0
81.03399	0.9
83.01253	2.7
84.25395	0.8
85.02822	5.5
87.00742	5.0
89.02312	15.3
89.23315	0.9
91.32712	1.0
95.01236	1.0
97.02820	3.5
101.02325	15.5
109.02836	1.2
109.12847	0.8
113.02335	8.1
119.03402	2.5
121.79314	0.9
125.02317	7.0
143.03377	3.2
161.04424	3.5
169.01212	0.8
179.05489	3.6
183.13812	7.6
193.12196	1.8
211.13336	100.0
212.13675	5.4
222.00206	0.8
235.08147	4.4
253.09203	1.9
277.21722	61.8
278.22073	4.1
287.07599	1.4
305.08859	2.2
323.09561	1.7
342.14554	0.9
379.12439	11.5
380.12881	1.6
397.13486	45.2
398.13910	2.9
415.14597	8.7
416.15189	1.3
437.18661	1.1
591.26343	5.3
609.27588	4.2
633.60876	0.9
657.34583	1.1
675.35565	4.1
725.44916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
67.74570	9.8
69.45953	72.9
83.01278	12.3
96.95882	100.0
98.19865	21.5
98.95509	12.2
125.02335	77.5
155.74776	9.2
158.25992	9.1
163.17310	9.1
167.03435	13.2
169.01353	71.5
177.01810	11.9
191.05479	24.0
208.97012	11.2
209.11760	17.5
210.24088	11.0
255.91910	9.4
284.52948	11.5
294.12793	14.8
309.15088	24.3
407.11713	38.5
408.12009	17.1
409.12775	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	929.511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.9
69.53478	0.3
71.01250	16.3
71.06506	0.5
71.06832	0.6
72.99162	1.5
73.02818	2.8
75.00754	0.6
76.92044	0.4
81.03349	0.4
83.01250	2.0
83.04847	0.3
85.02820	4.0
87.00754	4.1
89.02312	11.6
95.01279	1.8
97.02837	2.4
99.00760	0.9
101.02311	11.7
111.04355	0.5
112.24738	0.4
113.02328	6.6
119.03381	2.7
123.04397	0.4
125.02331	5.6
126.02612	0.6
131.03380	0.9
137.02293	0.4
139.03917	0.5
143.03391	2.6
161.04449	4.1
164.14728	0.4
167.14282	0.6
179.05537	3.9
180.66885	0.4
183.13820	6.0
193.12253	2.0
199.05977	0.7
211.13324	100.0
212.13651	5.9
217.07156	0.8
219.05093	0.4
221.06580	1.6
235.08168	5.6
245.06944	0.4
253.09235	0.8
256.96674	0.3
259.08234	0.9
274.91956	0.4
277.21704	56.8
278.22040	5.4
287.07690	1.8
291.23221	0.4
293.11380	0.4
305.08820	2.3
323.09772	1.9
361.11429	0.5
379.12442	10.9
380.12830	0.9
397.13464	49.3
398.13684	2.6
415.14539	7.8
416.14819	0.6
591.26569	6.1
592.26813	1.1
609.27460	4.7
610.28131	0.5
657.35040	1.4
675.35919	3.8
869.48859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84396	3.0
69.23786	32.2
74.92049	3.0
98.19987	13.4
99.00751	4.1
109.02813	4.9
111.00755	17.3
121.23458	3.1
123.00747	7.8
125.02332	100.0
126.02644	3.0
126.77413	3.1
131.04926	3.7
137.02333	8.8
139.00252	14.1
141.01810	7.7
149.02319	6.5
151.00212	3.1
151.03905	11.4
153.01935	4.8
161.02354	19.8
163.00276	4.7
163.03969	5.5
165.01794	6.3
166.99786	7.7
167.03380	7.4
169.01317	29.9
175.03871	14.2
177.01848	72.3
177.05527	4.3
182.99306	7.5
185.00737	4.7
187.04019	5.3
189.01808	4.3
191.03345	7.7
193.01328	3.9
198.54901	3.8
199.03964	5.8
201.01793	6.0
211.03894	5.1
215.03481	8.5
217.04922	5.5
227.03436	7.4
229.04965	3.7
231.02899	6.8
241.04994	4.3
243.03008	16.5
245.04489	5.2
255.02893	9.5
257.04456	5.9
259.02487	7.4
267.84299	3.7
271.02423	5.1
272.07971	3.8
273.03995	4.3
283.02432	4.6
285.04019	36.1
287.05640	7.9
297.03845	4.4
301.03369	15.6
303.05124	12.7
305.06760	10.0
319.04434	16.8
382.87375	4.0
403.04755	4.4
411.07321	7.2
421.05515	6.9
423.07111	26.5
425.05051	4.2
435.06937	3.5
439.06509	18.6
440.07126	4.8
447.06973	4.5
457.08017	5.4
465.08438	4.1
469.06662	3.8
471.05862	4.7
481.07889	4.4
568.50916	3.6
573.10559	11.6
589.09741	12.0
591.11407	11.2
607.10345	9.9
609.09192	5.0
761.13214	4.0
777.12744	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	929.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60386	1.0
67.01778	1.9
69.03320	1.8
71.01245	1.3
71.36082	2.3
83.01257	1.2
87.74330	1.2
93.03369	1.4
95.01268	3.6
97.02805	2.6
99.00745	10.9
100.15493	1.1
105.03353	1.7
106.51152	1.0
107.01283	1.6
109.02831	2.9
111.00772	22.6
113.02334	1.6
119.04936	1.8
121.02856	2.6
123.00759	13.4
125.02337	87.8
126.02684	3.5
127.00270	5.2
132.44505	1.2
135.04408	1.8
137.02328	9.9
139.00261	30.3
139.03902	2.5
140.98117	1.2
141.01834	41.9
143.04823	1.2
145.02927	2.4
149.02344	5.8
151.00258	6.0
151.03905	1.3
153.01836	16.4
159.04443	4.3
161.02373	10.8
163.03973	1.6
165.01833	5.0
166.99792	6.4
167.03447	6.1
169.01344	100.0
170.01689	3.5
171.04391	1.5
171.70906	1.1
173.02362	5.6
173.05946	1.3
175.03888	1.4
177.00287	2.7
177.01855	50.3
177.05386	1.4
178.02281	2.2
179.03384	2.2
181.01291	2.2
182.01924	1.3
182.99284	14.4
183.04480	1.7
184.00052	1.4
185.00816	3.0
185.06053	1.9
187.03888	3.4
189.01891	4.1
189.05550	2.2
191.03415	15.0
193.01376	7.3
197.02393	2.8
199.03908	2.1
201.01839	7.7
201.05525	3.3
203.03369	1.8
211.04028	6.2
214.02596	2.7
215.03410	9.0
217.01405	14.8
217.04836	1.5
218.02016	2.0
219.02896	5.5
227.03421	3.2
229.05025	5.0
231.02954	2.0
233.04393	6.0
239.03488	4.1
242.02205	1.4
243.03012	4.6
251.05606	1.5
255.03014	2.4
257.04474	8.3
259.02371	1.7
271.02374	3.9
272.03311	2.3
273.04059	2.9
275.01852	1.3
275.05630	5.8
283.02435	2.0
285.04028	1.9
287.05603	2.4
289.03537	6.7
301.03503	32.8
302.04156	2.7
303.05014	2.3
305.06784	7.7
306.06747	1.4
319.04568	81.0
320.05130	8.6
321.06091	2.1
341.15128	1.2
365.06696	1.5
383.47134	1.3
392.15347	1.2
409.05719	1.5
427.06638	4.2
453.04520	2.6
455.06894	1.4
457.07834	10.6
471.05701	28.8
472.05942	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.183
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00197	0.9
69.32204	0.3
83.01244	1.0
89.52320	0.3
97.55699	0.3
98.19811	1.0
102.80035	0.3
107.01270	3.1
109.02834	1.1
119.80818	0.3
123.00780	0.6
124.01549	3.8
125.02327	1.5
135.00748	0.6
136.01521	0.9
137.02341	5.0
148.01607	0.6
151.00276	10.3
152.01048	1.4
163.00307	3.0
163.14862	0.3
164.01027	2.3
165.01846	0.7
169.01352	0.9
178.99788	7.9
187.03880	0.5
190.99852	0.4
192.00554	0.6
193.01323	0.4
199.03874	1.0
203.03456	1.3
204.04134	1.0
214.02647	9.6
215.03320	1.1
216.03975	0.3
218.02138	0.3
219.83104	0.3
224.00739	0.3
227.03386	1.7
231.02992	0.4
232.03696	0.8
238.92221	0.3
242.02145	8.2
243.02896	5.0
244.03619	0.7
245.53136	0.3
259.02472	9.4
260.02872	0.7
261.03989	0.6
270.01666	9.5
271.02466	59.0
272.02844	2.8
287.01965	31.9
288.02554	3.1
299.01855	0.9
315.01370	1.0
316.02219	100.0
317.02881	22.6
317.06775	0.6
318.03354	1.2
412.88419	0.4
463.08804	81.6
464.09134	8.2
474.36163	0.4
497.26993	0.3
598.66162	0.3
652.89453	0.3
681.03821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.2
71.01250	9.5
71.06360	2.0
72.99196	1.8
73.02806	1.1
76.46235	0.8
85.02809	1.7
87.00753	2.6
88.98701	2.0
89.02319	5.8
97.02859	1.4
97.20778	0.9
101.02326	6.2
113.02335	3.8
119.03354	1.6
125.02343	4.1
143.03354	1.2
143.66670	0.9
161.04501	1.6
167.14363	1.0
169.01443	1.0
179.05571	2.3
183.13838	8.0
190.87914	0.8
193.12263	2.5
209.11874	0.8
211.13342	100.0
212.13731	4.6
216.13063	1.1
235.08250	3.1
319.42111	0.9
379.12427	5.6
395.80402	0.9
397.13489	18.3
398.13733	1.2
415.14505	2.9
591.26648	16.2
592.26813	3.0
609.27673	15.0
610.27789	1.9
785.38684	4.8
786.40332	1.9
803.39893	4.8
804.40448	1.5
828.87903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00185	4.0
66.53244	0.9
67.98573	0.9
69.75039	0.9
69.89660	4.1
76.49209	0.8
83.01259	3.5
95.01252	1.6
98.20486	1.2
107.01256	8.2
109.02839	5.1
109.99952	2.2
111.00759	2.5
121.02852	1.5
123.00780	2.5
124.01542	1.9
125.02352	2.7
137.02312	1.7
137.99486	1.2
139.00243	6.4
142.42381	0.9
143.04900	1.7
145.02946	1.0
148.01538	1.1
149.02341	2.2
149.99527	1.9
151.00270	35.3
152.01013	2.5
153.01894	4.6
153.99016	1.2
154.99753	4.1
159.04395	2.0
163.00273	1.6
164.01039	2.1
164.98227	1.8
165.98965	4.0
166.99750	2.9
167.38170	0.9
168.00516	1.6
169.01306	3.3
169.02733	0.9
171.04404	2.4
175.03870	2.6
177.01836	1.9
177.98978	2.0
178.99773	45.9
180.00345	2.3
181.98526	1.4
187.03978	4.4
189.01831	1.9
191.03522	1.0
193.01376	1.5
194.99248	2.9
197.00813	2.6
199.03889	2.4
201.01796	1.3
203.03465	5.4
205.69722	0.8
214.02612	1.9
215.03471	3.5
217.01396	1.3
219.02898	2.1
226.02719	0.8
227.03372	2.8
231.02875	3.7
232.03671	3.5
233.04440	2.7
242.02371	1.1
243.02991	6.1
245.04424	2.9
247.02446	2.2
255.02913	3.7
259.02457	4.1
270.01572	2.5
271.02457	21.9
272.02762	2.9
275.01920	1.2
286.01129	2.1
287.01968	31.6
288.02518	3.5
289.03470	3.2
297.00388	1.9
299.02069	4.3
300.02710	13.9
301.03552	10.4
302.03741	1.3
303.01385	4.6
314.00687	1.1
315.01450	58.7
316.02179	41.2
317.02951	20.4
318.03320	1.6
332.01682	15.2
333.02396	9.7
343.06433	2.4
435.09311	1.5
447.09268	19.0
448.09781	2.7
461.07111	3.7
462.07977	1.1
463.08826	38.9
464.09207	3.5
478.07681	1.1
479.08252	100.0
480.08487	9.1
840.20679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.496
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01237	100.0
71.49565	35.1
73.07762	33.4
104.74899	29.2
110.42721	27.4
125.02354	31.7
142.27895	30.8
209.11711	71.6
225.11311	46.1
249.14897	89.0
255.23415	37.3
277.21695	94.4
337.44754	35.7
383.45206	39.3
385.17059	32.1
397.13724	50.1
693.82941	35.1
832.84772	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
74.19348	53.8
77.48954	57.5
87.33347	60.0
87.86292	55.2
89.02303	100.0
99.70538	61.6
104.43556	54.4
111.44678	58.3
182.24995	64.8
209.11726	94.2
210.12079	83.1
211.05397	63.5
215.54082	59.1
229.37167	91.2
255.23320	85.2
387.60767	72.3
397.13330	82.0
692.12738	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.332
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03472	0.2
71.49541	0.3
79.95610	2.0
88.98682	0.8
96.95891	100.0
97.95835	0.4
110.65666	0.2
120.86149	0.2
125.02335	0.6
149.02217	0.2
163.19777	0.2
169.01328	0.4
177.01791	0.2
187.54767	0.2
194.54573	0.2
200.78412	0.2
222.06769	0.7
225.56544	0.3
239.07253	0.3
240.07896	1.8
253.08530	0.5
265.08603	0.5
272.06909	1.0
279.10220	1.9
293.11841	0.9
294.12637	12.8
295.12897	1.2
309.14957	25.0
310.15289	2.0
312.13580	0.8
313.13818	0.3
326.11804	0.2
327.15982	4.7
328.16043	0.3
407.11682	76.9
408.12015	8.3
409.11462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00204	10.4
65.53292	4.7
77.37971	5.4
83.01230	9.5
87.65459	5.8
107.01272	24.0
124.01500	8.0
125.02372	30.5
139.29697	4.9
151.00275	100.0
152.00999	20.0
169.01367	43.3
178.99762	98.9
193.01311	12.8
227.03436	9.4
243.02950	6.8
259.02451	7.9
271.02460	6.9
272.03204	15.4
273.03775	7.5
275.01904	6.2
282.01337	6.4
283.02603	12.9
298.01141	16.0
299.02026	14.1
300.99994	9.8
315.01672	11.3
321.04019	5.0
325.03247	8.8
327.01343	14.2
349.03415	6.6
379.04565	8.4
435.03793	5.9
468.74780	5.2
765.70679	7.0
779.11676	8.9
925.16913	61.6
926.17151	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	925.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04221	0.3
65.00179	0.8
67.67133	0.3
70.82849	0.9
80.44126	0.3
83.01259	0.6
100.12643	0.3
107.01268	1.9
108.02055	0.4
109.02805	1.1
121.02853	1.5
125.02327	1.8
135.00769	0.7
137.02315	0.4
148.01576	0.7
149.14140	0.3
151.00266	8.7
152.00687	0.5
159.04362	0.6
161.02280	0.7
161.81792	0.3
163.00305	2.3
164.01054	0.4
167.04761	0.3
169.01328	1.2
175.03906	0.4
177.01842	1.1
178.99792	4.8
183.04413	0.4
187.03902	0.3
192.00594	0.6
199.03963	0.9
201.05492	0.5
203.03416	1.0
211.03905	0.8
212.04779	0.3
213.01802	0.3
214.02744	0.6
215.03400	1.0
226.02637	0.8
227.03371	2.1
229.04994	0.9
231.02904	0.7
242.02245	0.5
243.02945	6.1
244.03360	0.5
245.04442	0.9
252.74261	0.3
254.02145	1.0
255.02969	13.5
256.03445	1.0
259.02512	2.5
270.01666	0.5
271.02475	28.3
272.02924	2.6
273.03912	0.7
283.02524	1.2
286.01138	0.4
287.01987	5.3
288.02518	0.6
299.01978	0.8
300.02740	49.8
301.03494	39.3
302.03848	2.5
315.01474	8.4
316.02209	3.3
317.02609	0.4
330.03796	12.2
331.04584	10.8
332.04953	0.8
447.09305	100.0
448.09647	8.7
463.08951	0.5
477.10379	28.9
478.10727	2.7
666.16632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	14.3
72.99203	1.5
73.02825	2.5
80.96388	2.9
81.03350	2.0
83.01253	1.4
83.04906	5.8
83.66330	1.3
85.02831	2.9
87.00776	2.5
89.02328	13.0
95.01270	2.0
95.04868	1.5
97.02815	3.1
98.19841	2.9
99.92448	1.6
101.02335	12.1
113.02322	7.1
114.54922	1.2
116.92744	19.2
119.03410	2.9
119.04936	2.7
125.02353	7.7
135.24139	1.5
143.03394	1.9
145.02887	7.3
146.03165	1.8
161.04539	2.8
163.03944	1.8
163.11180	4.3
165.12750	1.6
167.03299	1.6
173.99338	1.3
179.05554	2.7
187.99895	1.3
209.11775	100.0
210.12103	4.8
227.12836	12.0
235.08208	5.2
255.23279	51.2
256.23666	4.8
305.08746	2.0
362.23651	1.3
379.12454	13.3
397.13519	34.7
398.13901	3.0
415.14417	6.1
589.24475	2.3
607.26147	5.2
635.36224	3.0
653.37653	3.1
680.02826	1.3
759.31250	1.4
923.55811	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	923.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99916	0.9
69.03319	1.0
69.84425	5.0
71.00894	1.5
71.01256	14.6
72.99171	1.3
73.02818	2.1
80.02563	1.0
80.96394	2.1
81.03321	1.5
83.01259	2.8
83.04911	5.0
85.02843	4.4
87.00751	3.8
89.02313	10.8
95.01227	1.6
97.02836	2.7
99.00749	2.0
101.02335	11.9
111.04407	0.9
112.07957	0.8
113.02315	5.4
116.92744	2.4
117.03291	1.7
119.03358	3.0
119.04925	0.9
121.02792	0.9
122.81684	0.9
125.02345	7.2
135.08043	0.9
135.52663	0.8
140.21318	0.9
143.03365	3.0
145.02840	3.8
161.04443	3.5
163.11143	3.0
165.12732	1.8
179.05487	2.9
191.10654	1.7
199.13258	1.0
201.13298	0.8
209.11775	100.0
210.12123	6.7
217.07219	1.1
221.06609	1.4
227.12836	12.5
235.08302	4.4
255.23279	55.4
256.23654	4.8
259.08182	1.2
263.07495	1.2
287.07925	1.2
305.08817	3.0
379.12518	12.6
380.12576	1.8
397.13483	43.1
398.13641	2.3
415.14661	7.5
473.98761	1.0
507.50980	0.9
543.06073	0.8
589.24646	1.7
607.25897	3.2
635.36102	2.3
653.37543	4.2
654.38013	1.6
749.42737	1.0
861.46918	1.0
863.50098	1.3
923.55725	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	923.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	1.2
70.12909	3.8
83.01249	3.1
93.03335	2.6
98.20487	0.9
98.32050	0.9
105.03343	2.6
106.61450	0.8
107.01244	1.2
107.04901	1.5
109.02834	9.8
111.85170	0.8
121.02827	3.2
123.00761	3.3
124.01585	2.3
125.02333	100.0
126.02686	2.6
129.06871	0.8
131.04916	1.9
133.02847	3.4
135.04408	3.1
135.39333	0.8
137.02344	16.2
139.03908	7.6
143.04932	1.5
145.02841	1.2
147.04451	1.3
149.02353	6.9
151.00264	3.6
151.03891	7.2
157.06519	1.2
159.04416	2.3
161.02345	18.4
163.00319	3.7
163.03961	4.0
164.01012	2.3
165.01839	6.7
167.03416	9.4
169.01340	12.3
169.37897	0.8
173.05922	1.8
174.03012	1.7
175.00485	0.9
175.03917	17.3
176.01028	0.8
177.01848	63.4
177.05292	4.6
177.36499	0.8
178.02194	3.5
178.99768	2.5
179.03416	6.2
183.04465	2.2
185.02458	1.0
185.05928	1.3
187.03819	5.4
189.01840	2.4
189.05498	1.3
191.03354	2.6
193.01341	1.1
193.04955	2.5
197.06029	1.2
199.03882	5.0
201.01894	4.1
201.05440	2.4
203.03467	7.2
205.05028	2.5
211.03970	1.5
213.01912	1.3
213.05487	2.4
215.03467	3.9
217.04942	6.4
218.05453	1.2
219.02995	2.1
219.06555	3.7
221.04480	2.8
225.05450	1.4
227.03397	4.0
228.04131	1.5
229.01352	2.0
229.04956	5.4
231.02913	2.9
239.03392	0.9
239.07144	1.0
241.04980	4.3
243.02937	12.0
245.04535	2.6
251.03520	1.0
253.04832	1.9
255.02992	14.3
255.06157	1.5
256.03683	4.1
257.04568	3.0
259.02347	1.3
259.06339	1.1
261.04028	5.7
265.04947	1.3
267.02991	2.8
269.00986	1.2
269.04495	6.2
271.02405	1.3
273.04001	6.8
279.02841	1.4
283.02487	5.9
283.05179	1.0
284.03131	1.8
285.04016	33.3
285.07211	2.1
286.04425	3.5
287.05646	9.4
288.02557	1.2
295.02441	2.5
297.04050	7.8
298.04596	2.0
299.05539	2.0
301.03461	3.5
303.05121	9.7
305.03525	1.0
305.06683	13.9
309.04095	2.6
311.05682	1.0
315.01453	2.8
319.04596	2.1
323.05707	2.1
325.03375	2.0
325.06985	1.5
327.05106	2.4
329.02979	1.1
337.07034	1.9
355.08099	1.6
379.07870	2.1
405.06253	3.6
406.06390	1.1
409.05420	1.1
411.07080	3.3
421.05649	1.8
423.07205	58.9
424.07513	6.7
435.07205	4.8
441.08191	4.8
447.07202	5.8
453.08456	1.3
461.07248	2.1
465.08264	9.1
467.09918	5.2
483.09372	1.8
555.09241	1.9
561.66101	0.9
573.10327	13.5
574.10596	2.3
585.10449	6.2
591.11438	21.6
592.11975	2.4
597.09583	1.0
603.11267	2.8
603.39014	1.2
609.12219	7.8
610.12476	1.0
613.02008	1.4
615.11005	1.6
627.11383	3.4
628.12134	1.1
645.12848	2.1
743.12897	2.0
753.15002	4.3
759.07471	1.1
771.15710	11.4
772.16010	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	921.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49290	1.0
82.38102	0.7
115.94102	0.6
117.03345	25.1
118.03673	0.7
119.04909	28.9
120.05233	0.9
121.02827	2.9
123.04468	1.1
125.02333	0.9
145.02847	100.0
146.03198	4.9
162.03058	0.8
163.03900	16.7
211.07578	4.7
219.06532	2.5
226.03659	0.6
242.20406	0.7
255.23360	0.7
267.19571	1.0
269.21136	1.2
285.20728	3.3
287.22293	3.2
380.86655	0.7
397.13281	0.9
413.23227	5.3
414.23553	0.9
415.24911	5.0
431.24564	1.4
433.25797	2.4
487.26883	1.4
489.28534	1.1
505.28000	2.0
507.29703	1.3
558.07434	0.8
666.21893	0.8
772.59271	0.9
775.50122	7.4
776.50598	1.5
853.04572	0.8
921.53558	44.2
922.54059	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	921.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.8
70.40646	3.5
71.01254	15.4
71.04873	2.2
73.02811	3.7
75.00733	1.7
81.03337	1.4
83.01268	2.1
83.04871	1.5
85.02818	4.4
86.24144	1.0
87.00747	4.8
89.02321	8.4
95.01274	2.3
97.02815	7.8
97.06458	2.3
99.00758	19.7
101.02316	9.5
110.03599	1.3
111.00734	0.9
113.02314	4.7
115.00230	1.2
116.92753	2.0
117.03349	14.5
117.89255	1.0
118.03655	1.6
119.03419	1.0
119.04908	18.5
121.02834	2.2
121.90575	1.0
123.08047	1.7
125.02345	7.1
125.09596	4.8
135.08051	1.7
136.05237	2.0
142.02599	1.6
143.03391	1.3
145.02858	56.3
146.03192	9.1
161.04428	2.0
163.03940	11.0
163.11177	8.2
164.04184	1.2
167.26936	1.2
175.02432	1.5
181.12289	15.6
199.13332	2.9
207.10204	47.4
208.10489	1.4
209.11691	1.4
221.06628	1.3
225.11272	67.8
226.11617	3.8
230.46121	1.2
235.08289	1.9
243.12355	23.8
244.12750	1.8
255.23274	58.7
256.23599	3.7
263.07809	1.6
285.20602	2.4
287.22452	1.3
379.12488	2.8
397.13434	12.1
413.23340	4.2
414.23843	1.2
415.14709	2.2
415.24658	2.6
431.24234	1.5
433.25397	1.6
505.27945	1.5
506.28284	1.4
507.28836	1.7
605.24664	15.8
606.24615	1.8
623.25739	6.7
624.25867	1.7
653.37280	1.4
775.49536	5.3
779.56842	1.3
861.48529	100.0
862.48877	22.3
894.14417	1.1
921.53259	29.5
922.53723	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	919.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50690	0.4
70.51015	0.5
70.98631	0.3
93.03357	0.4
117.03349	29.1
118.03705	0.9
119.04913	33.1
120.05285	0.9
121.02847	3.1
123.04409	1.0
133.02870	0.7
145.02853	100.0
146.03210	3.6
148.22348	0.2
162.03113	0.8
163.03917	18.6
164.04243	0.6
219.06525	2.1
258.82446	0.3
267.19681	2.9
268.20197	0.3
285.20706	7.3
339.74341	0.3
345.24338	0.6
413.23276	11.4
414.23718	1.1
431.24344	5.7
432.24744	0.5
487.26926	3.0
488.27048	0.5
505.28046	4.9
506.28204	0.7
585.73901	0.3
755.47662	0.9
756.47455	0.4
773.48358	8.6
774.48761	2.0
919.52118	40.4
920.52484	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	919.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72398	0.4
69.90476	0.4
71.01247	0.5
71.48990	0.6
84.24816	0.4
87.23344	0.4
93.03320	0.6
116.92756	1.6
117.03352	28.3
118.03679	0.8
119.04920	31.7
120.05271	1.2
121.02837	2.8
123.04386	0.6
130.01372	0.4
133.02892	0.6
145.02858	100.0
146.03206	4.2
162.03122	0.8
163.03922	18.6
199.13371	0.9
219.06578	2.1
249.18571	0.7
267.19608	2.9
279.23151	0.9
285.20703	6.3
330.39999	0.4
397.13751	0.9
413.23331	12.7
414.23642	1.3
431.24289	6.0
487.27060	3.2
505.28143	5.0
506.28516	0.6
755.47656	1.0
773.48486	10.1
774.49030	2.0
788.08551	0.5
919.52142	38.2
920.52496	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	919.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63968	1.1
71.01244	0.3
79.75827	0.3
83.67306	0.3
105.98705	0.3
109.06465	0.3
117.03349	27.8
118.03671	0.9
119.04917	31.9
120.05286	0.8
121.02867	2.6
123.04404	0.8
129.01817	0.5
133.02844	1.0
134.03641	0.3
135.02861	0.4
138.53217	0.3
145.02856	100.0
146.03175	3.9
162.03177	0.6
163.03920	18.3
164.04256	0.6
216.94685	0.4
219.06604	1.7
221.90773	0.3
267.19595	3.2
285.20697	7.1
286.20877	0.6
345.24414	0.7
413.23343	11.0
414.23755	1.2
431.24387	3.8
472.16187	0.4
487.27164	3.2
505.27997	4.1
755.47363	1.2
773.34387	0.6
773.48267	9.0
774.48602	1.4
895.38062	0.4
919.52118	45.7
920.34290	0.7
920.52527	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	919.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	1.4
71.01254	100.0
72.01579	1.5
72.99167	1.5
73.02812	3.9
74.44630	1.3
79.95571	1.5
80.96364	2.0
83.01279	2.9
85.02824	4.4
87.00758	6.2
89.02321	20.1
94.60347	1.4
95.01246	2.5
96.95897	1.6
97.02837	3.3
99.00759	3.3
101.02318	16.6
103.98258	1.6
109.06469	4.7
113.02335	8.4
119.03387	4.2
123.00710	1.4
125.02335	10.0
125.09605	1.8
126.20655	1.3
127.11176	2.9
129.81017	1.4
141.01816	1.9
142.02612	1.5
143.03380	2.8
161.04420	3.5
162.86296	1.4
163.11169	2.7
169.01340	2.0
171.10178	44.6
172.10582	1.8
179.05481	4.4
181.12250	1.7
186.09003	1.5
199.09700	9.3
199.13406	1.7
201.11298	14.1
207.10188	17.2
211.13345	2.3
217.10786	1.8
225.11305	12.3
235.08231	6.3
277.21719	61.9
278.22119	6.9
287.07712	1.8
291.19656	2.5
379.12509	6.0
397.13461	35.0
398.13953	3.5
415.14374	7.7
415.62418	1.5
517.45599	1.5
623.25299	1.6
883.46503	8.4
884.47308	2.5
901.47235	2.1
919.48340	14.4
920.48383	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	917.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08836	1.5
71.01245	19.2
71.48737	1.3
71.49116	2.3
72.82895	1.3
72.99178	1.9
73.02808	2.3
75.00730	4.1
77.19922	1.3
77.46809	1.4
81.03317	1.9
83.01250	2.1
83.04881	5.6
85.02819	6.2
87.00757	4.4
89.02311	16.7
95.01234	1.7
97.02807	4.1
98.66319	1.5
101.02311	14.9
101.20883	1.6
111.04425	1.5
113.02344	9.0
119.03365	3.5
125.02378	7.5
127.03943	1.9
129.01807	9.8
135.02863	7.6
143.03287	2.0
161.04446	4.0
163.11151	4.0
165.12723	2.1
179.05507	4.1
201.11253	5.7
209.11774	100.0
210.12045	6.8
227.12785	12.8
235.08073	6.8
253.09024	1.4
255.23241	3.8
259.15485	19.0
277.18591	2.8
277.21713	57.5
278.22079	7.2
287.07895	2.6
305.08731	2.5
323.09784	2.5
379.12335	10.6
397.08459	2.8
397.13501	46.7
398.13867	6.0
415.14594	10.9
607.25824	2.1
675.35284	1.9
917.47864	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	917.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	2.3
70.44675	0.4
70.77635	1.0
71.00854	0.9
71.01251	19.6
71.04889	0.6
72.99185	1.1
73.02808	2.5
75.00760	0.4
78.04156	0.4
80.02547	1.4
81.03324	2.9
83.01255	2.3
83.04893	6.5
84.02032	1.1
85.02818	4.6
87.00747	3.8
89.01758	0.9
89.02316	15.0
95.01257	1.6
95.04916	1.2
96.95896	1.2
97.02842	2.4
99.00779	1.1
101.02324	12.4
103.97619	0.4
109.06471	1.0
111.08037	9.0
113.02332	8.5
115.03880	0.4
119.03370	3.7
124.01571	0.4
125.00947	0.5
125.02345	5.5
125.05985	1.0
127.03851	0.4
127.07512	0.8
131.03381	0.5
135.08061	1.0
137.09624	0.4
139.03940	0.6
141.01868	0.4
143.03403	2.9
151.11169	0.8
153.09135	0.5
153.12755	1.2
161.04466	3.4
163.11217	4.3
165.12813	3.2
167.10674	0.5
169.01266	0.5
169.12231	4.0
171.10133	1.1
177.37129	0.4
179.05528	4.8
181.12230	1.8
183.13841	1.0
191.10696	1.4
193.12210	0.5
197.11757	48.5
198.12141	2.3
199.13347	3.8
201.11211	0.5
209.11769	100.0
210.12129	4.9
211.13336	11.7
211.15398	0.5
212.13715	0.6
213.09285	0.6
217.07172	0.6
220.91475	0.4
221.06662	2.1
223.13499	0.4
225.11301	0.8
227.12843	15.0
228.13217	0.8
235.08171	5.4
246.34001	0.4
247.20628	0.5
251.16559	1.2
253.09198	1.0
257.08173	2.8
263.20251	2.4
265.18115	1.3
272.25009	0.4
273.18561	0.8
287.07681	1.9
291.19647	15.0
292.19858	1.3
293.21249	1.3
305.08792	1.8
309.20700	89.0
310.21078	6.3
323.09756	1.1
325.20151	2.9
333.20807	0.6
379.12350	3.0
380.12213	0.5
394.60199	0.4
397.13470	40.4
398.13864	2.4
415.14563	16.7
416.14914	0.7
501.32123	0.8
607.26221	2.3
609.27301	0.8
686.10077	0.5
689.33954	1.3
707.35071	1.5
734.69196	0.5
812.55359	0.5
899.46655	0.5
917.47296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.7
71.01252	19.3
71.04884	0.4
72.99183	1.4
73.02833	2.6
75.00784	0.4
80.02554	1.7
81.03326	2.2
83.01231	1.7
83.04894	6.7
84.02027	0.9
85.02817	3.9
87.00750	4.3
87.04393	0.6
89.02314	14.2
95.01273	1.1
95.04903	1.0
96.95893	4.4
97.02829	2.8
97.06467	1.0
98.20608	0.6
99.00763	0.8
99.04395	0.4
101.02317	12.0
109.02843	0.4
109.06463	0.7
111.04421	0.4
111.08035	6.6
113.02325	7.4
118.83968	0.4
119.03401	3.2
121.02824	0.5
125.02326	5.5
125.05990	1.1
125.09634	0.5
127.07461	0.4
130.94249	0.3
131.03423	0.5
135.08051	1.0
135.61316	0.3
137.09613	0.3
139.03934	0.4
141.01790	0.4
143.03419	2.1
149.04520	0.5
151.11172	0.6
151.88017	0.3
153.12703	1.0
161.04453	2.9
163.11185	4.9
165.12793	3.2
167.03380	0.5
167.10576	0.4
169.01360	0.9
169.12271	2.7
171.10167	2.1
179.04114	0.5
179.05548	4.7
179.10713	0.5
181.12279	1.7
183.13838	1.1
191.10687	1.2
193.12196	0.5
193.25528	0.4
195.13774	0.4
197.11754	32.6
198.12097	1.7
199.13327	3.0
209.11765	100.0
209.15375	4.2
210.12090	5.1
211.13330	10.5
212.13652	0.3
217.07155	0.5
221.06596	1.9
221.15370	0.7
223.16966	2.7
225.11288	0.5
225.14783	0.5
227.10612	0.4
227.12831	13.3
228.13136	0.7
229.19563	0.4
233.15460	1.3
235.08208	4.5
237.14896	0.4
251.16515	4.6
253.09256	1.0
263.07764	0.8
263.20139	2.0
265.18082	1.2
273.18658	1.3
279.95078	0.4
287.07764	1.4
289.18188	0.5
291.16330	0.7
291.19659	13.3
292.19965	1.3
293.21271	1.1
305.08807	1.6
307.19006	0.8
309.20694	62.3
310.21063	6.0
323.09784	1.2
325.20218	2.0
379.12494	3.2
388.84000	0.4
397.13480	39.9
398.13937	3.1
415.14551	13.4
416.14877	0.8
574.07971	0.4
607.25909	2.4
625.26703	0.5
689.34033	0.6
707.34595	0.7
899.46808	0.5
917.46558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	4.7
71.01250	52.4
71.48668	2.6
72.99191	5.0
73.02829	6.5
75.38210	2.0
79.95608	3.7
80.96381	4.8
81.03286	3.0
83.01263	9.7
83.04893	3.3
85.02404	2.0
85.02816	11.3
87.00756	9.0
89.02309	34.6
95.01239	3.2
96.95872	16.6
97.02837	13.7
97.06475	6.0
98.69408	1.9
99.00746	3.5
101.02319	32.5
101.65747	2.0
111.08049	8.8
113.02312	17.5
116.92773	4.3
119.03346	10.8
125.02341	16.4
125.09631	7.9
137.09604	4.4
139.11192	2.9
141.01830	2.8
141.12746	2.4
143.03381	7.7
151.11206	4.5
161.04408	6.9
163.11269	4.4
165.12712	13.6
167.10666	2.7
169.01332	5.3
169.12236	11.5
171.10146	6.5
179.05557	10.8
181.12274	6.4
183.13805	20.9
185.11765	11.5
191.08417	2.3
193.04959	2.7
193.12245	2.5
197.11754	29.2
199.13324	49.8
200.13615	3.8
207.10239	3.3
209.11758	27.2
211.13336	80.6
212.13646	5.2
221.06670	2.8
225.11246	2.8
227.12817	77.6
228.13185	5.0
235.08147	8.9
245.19025	7.6
247.20734	3.3
253.09195	2.4
263.20087	3.8
287.07889	2.4
289.18021	17.6
291.19620	31.3
292.19995	4.5
297.11200	5.1
298.11734	2.9
307.19110	27.8
309.20697	100.0
310.20999	6.9
325.20053	2.3
379.12219	4.9
397.13446	61.6
415.14514	27.6
501.32413	2.4
607.25897	9.2
625.27026	9.1
641.88690	2.3
707.34167	3.4
899.45789	4.1
917.31635	2.5
917.47473	30.3
918.47736	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	915.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	4.5
72.50801	0.4
72.99177	3.1
73.02828	0.5
75.00744	18.0
80.96397	0.4
83.01241	0.8
85.02820	7.1
87.00745	2.7
89.02316	2.9
89.33035	0.5
95.01235	0.5
96.95923	0.4
97.02838	3.2
99.04371	0.5
101.02319	1.6
111.00755	0.6
113.02328	0.6
115.00241	2.3
115.03897	0.5
117.01845	0.8
125.02321	0.6
129.01826	100.0
130.02158	2.2
135.02885	30.2
136.03261	0.7
143.03381	0.7
169.01379	0.5
171.10181	1.8
175.02425	4.0
191.05589	0.6
206.99652	0.6
209.11729	1.8
221.11841	0.9
235.08049	1.0
239.12822	1.0
247.04552	1.2
253.09230	0.8
277.21664	6.9
278.22211	0.9
397.13510	1.1
525.78308	0.5
699.24438	0.5
781.44061	1.1
782.44702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28917	0.9
69.03322	2.3
70.65934	2.7
71.01244	14.6
71.42680	0.9
73.02821	2.4
75.00762	1.0
76.78603	0.9
83.01257	2.1
85.02824	7.3
87.00744	4.0
89.02312	10.7
93.03342	1.7
95.01267	1.4
97.02822	2.9
97.35031	0.9
99.00768	1.0
101.02312	12.0
111.04379	1.1
113.02320	7.9
116.92802	0.9
119.03389	3.7
125.02367	6.6
127.03916	1.1
131.03429	1.2
143.03391	2.9
150.43004	0.9
153.12793	2.8
161.04471	4.5
162.93048	1.0
169.12279	5.5
171.10228	1.8
179.05544	3.7
191.05531	39.0
197.11751	100.0
198.12090	5.1
207.10136	1.1
217.07027	1.6
219.44031	1.0
221.06584	1.7
225.11205	1.3
235.08118	6.5
255.23209	1.8
259.08087	1.4
277.21689	53.3
278.22018	4.1
287.07788	1.5
299.67072	1.1
305.08719	2.1
323.09827	2.4
379.12372	13.0
394.86591	1.2
397.13449	42.2
398.13864	1.7
415.14642	7.5
577.25299	6.6
595.25964	6.0
641.59070	1.1
650.11090	1.0
657.35522	1.4
675.36249	2.3
861.48743	1.2
915.48883	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	915.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50214	1.3
71.50614	1.7
74.31801	1.1
81.03346	1.7
83.01257	3.9
93.03304	1.6
105.03332	2.5
109.02837	6.2
124.01513	1.6
125.02331	62.6
126.02711	2.3
133.02834	5.7
134.03609	1.6
135.04408	63.6
136.04752	3.3
137.02335	22.6
139.03899	3.9
147.04399	1.6
159.04454	1.4
161.02338	31.4
162.02879	1.3
164.01077	1.9
165.01811	3.6
167.03404	3.6
169.01341	2.1
174.47354	1.2
175.03938	7.3
177.01782	1.9
177.05472	1.9
179.03406	100.0
180.03795	5.6
203.03427	10.0
203.82187	1.0
214.22354	1.1
219.06612	2.4
227.03358	5.1
255.03026	5.0
256.03461	1.4
269.04559	4.1
284.03247	4.8
285.04111	1.6
285.07700	4.4
287.05658	8.4
305.06641	22.0
313.07059	1.7
341.06567	7.0
342.07336	1.5
357.06168	2.8
423.11014	1.6
447.09387	6.1
449.10052	1.2
467.09799	50.9
468.10092	6.6
698.84033	1.1
719.90253	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	915.423
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42440	0.6
98.20530	0.9
107.01247	1.0
125.02314	1.2
150.17281	0.6
151.00267	4.8
163.00154	1.3
169.01369	1.3
178.99789	3.1
216.04150	0.6
226.02643	4.3
227.03445	2.0
229.19647	0.6
243.02898	10.7
244.03346	0.7
254.02187	4.0
255.02924	3.9
271.02448	42.2
272.02972	3.6
273.00565	0.5
281.28735	0.5
287.01874	0.8
299.01944	1.3
300.02725	47.2
301.03412	12.7
302.03748	0.9
316.02017	1.3
343.04361	0.6
462.07809	0.9
463.08777	100.0
464.09116	10.5
524.56189	0.6
761.51953	0.7
766.48529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	5.3
66.00537	0.1
67.01775	0.4
68.99669	0.5
71.01255	0.1
71.28629	0.1
71.28968	0.1
81.03328	0.2
83.01254	2.8
83.01716	0.2
84.70757	0.1
96.95908	0.1
101.03854	0.2
107.01272	6.1
108.02141	0.2
108.99194	0.1
115.05418	0.4
120.02086	0.2
125.02330	0.9
127.05437	0.2
130.04147	0.2
130.85846	0.1
133.02832	0.9
136.01518	0.2
141.06992	1.1
143.04941	0.3
145.06494	3.0
146.06834	0.2
151.00276	12.1
152.00713	0.4
153.40788	0.1
155.08539	0.5
156.78658	0.1
157.06439	0.1
164.01073	1.0
165.06976	0.2
167.08597	0.3
168.05623	0.1
169.01343	0.3
169.06499	2.7
170.06868	0.1
171.04425	7.0
172.05212	1.2
177.01862	0.4
181.06445	0.1
183.08066	1.9
185.05966	0.3
187.07565	1.4
191.05579	0.4
193.06525	0.8
196.00063	0.2
196.05327	0.2
197.11740	0.1
209.06070	0.2
209.11769	0.5
211.07590	9.0
211.13283	0.7
212.07954	0.6
213.05521	1.7
214.05896	0.2
227.07140	0.2
237.05502	0.7
253.05048	0.6
254.05530	0.3
255.06604	100.0
256.06943	7.1
546.99347	0.1
602.23590	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	913.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99122	0.5
69.34451	2.2
69.34893	1.7
81.03336	1.2
83.01254	2.0
93.03297	0.7
95.04878	0.7
98.19800	0.6
105.03339	2.1
107.01275	0.8
109.02835	1.3
125.02333	58.2
126.02692	1.5
132.02055	1.0
134.03636	3.2
135.00815	0.8
137.02336	10.2
139.03886	1.9
149.05974	1.5
151.00237	0.9
160.01555	1.5
161.02347	21.1
162.02779	0.6
163.00281	1.4
164.00958	0.6
165.01857	4.1
167.03401	1.9
169.01270	0.7
171.04483	0.5
175.03937	2.3
177.01866	1.3
177.05466	2.2
178.02643	2.0
179.03349	1.2
183.04475	0.6
185.06035	0.8
187.03862	0.6
193.04999	13.9
197.05968	1.2
199.03889	1.1
201.05421	0.8
211.03859	1.6
213.05402	0.9
219.06577	1.6
221.04480	1.1
225.05473	0.7
227.03448	32.0
228.03809	1.9
229.04984	4.3
241.04945	0.7
243.06464	0.9
255.02953	42.8
256.03546	5.8
257.04462	2.5
267.02853	0.8
269.04547	2.1
269.14194	0.5
284.03259	58.6
285.04013	55.4
286.04373	4.0
287.05630	10.7
288.06039	0.7
305.06647	17.6
306.07065	1.8
315.08728	1.5
327.05176	0.6
334.81104	0.5
337.02417	0.5
416.81204	0.5
423.06952	0.6
431.09808	100.0
432.10172	11.1
449.06009	0.6
481.11377	1.8
585.54492	0.5
761.12952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00197	1.0
71.26150	2.5
76.19421	0.9
81.03316	1.5
83.01270	2.1
93.03350	1.9
95.01276	1.2
95.04922	2.3
97.02847	1.3
105.03337	3.1
107.01267	1.3
107.04939	1.3
108.12277	1.1
109.02837	7.5
121.02827	5.0
123.00793	1.9
124.01614	2.9
125.02336	100.0
126.02673	3.1
131.04895	1.7
133.02826	4.2
137.02338	14.4
138.03201	1.3
139.03877	8.4
147.00696	1.4
147.04425	1.6
149.02345	6.2
151.03902	8.0
158.99736	1.1
159.04453	3.4
161.02353	16.7
162.02966	1.2
163.00250	3.3
163.03906	4.1
164.01080	2.8
165.01857	5.6
166.02599	1.2
167.03406	9.2
169.01321	15.2
173.06027	1.7
174.03186	1.2
175.00230	1.7
175.03929	15.7
176.04298	1.1
177.01854	53.5
177.05453	4.0
178.02228	2.6
179.03433	5.7
183.04402	3.2
187.03917	4.7
189.01880	2.6
191.03435	2.5
193.01326	1.9
197.06021	1.6
199.03934	9.3
201.01865	3.4
201.05530	3.4
203.03439	3.5
205.05029	2.8
211.03943	2.4
212.04568	1.2
213.05487	2.1
214.02701	2.3
215.03450	4.0
217.01170	1.1
217.05003	8.6
219.02840	3.4
219.06590	3.0
219.76089	1.0
221.04594	2.2
225.05496	2.4
227.03473	3.8
228.04140	1.1
229.01341	2.4
229.05064	3.1
231.03018	3.0
239.03314	1.2
241.05045	3.9
243.02982	13.4
243.06630	1.6
245.04538	2.0
253.05092	1.5
255.02992	11.3
256.03653	2.9
257.04474	2.5
261.04025	4.3
267.03024	2.4
268.03488	1.2
269.04544	4.5
271.02283	1.5
273.04025	5.4
279.06580	1.5
283.02527	6.6
283.05618	1.3
284.02887	1.6
285.04037	26.1
286.04300	2.8
287.05481	7.0
295.02487	1.8
297.04123	5.5
299.05704	2.4
301.03528	3.0
303.05127	6.9
305.06744	12.6
306.06992	1.3
309.04037	2.8
319.04663	3.9
323.05539	2.1
335.05597	1.4
379.08112	1.7
405.06085	4.5
409.05655	2.1
411.07153	3.2
421.05658	1.9
423.07205	52.7
424.07373	6.1
435.07318	3.8
441.08136	2.9
447.07312	5.2
448.07404	1.2
453.08505	2.4
457.07779	1.8
465.08380	7.7
466.08957	1.5
483.09268	3.0
555.08905	2.1
573.10236	13.0
574.10657	2.6
575.08545	3.7
591.11487	18.5
592.12061	3.9
593.09509	3.0
609.12476	8.3
635.11389	1.8
743.13263	1.8
761.13727	8.9
762.14136	3.3
852.95270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11170	1.1
64.92096	1.0
69.03312	1.4
69.93386	2.0
69.93795	4.0
81.03353	1.5
81.21649	1.2
83.01263	3.5
93.03342	2.6
95.01258	2.3
95.04935	2.1
97.02863	1.7
105.03352	4.0
109.02837	6.3
112.90100	1.1
121.02866	2.7
123.00760	3.4
125.02332	100.0
126.02677	3.3
130.25392	1.2
131.04916	1.6
132.02084	1.4
133.02852	4.0
137.02335	12.0
139.03888	4.5
143.05043	1.4
149.02335	7.6
151.03923	9.6
152.29256	1.1
157.02924	1.1
159.04442	2.6
161.02359	16.4
163.00301	3.3
163.03899	3.6
164.01082	2.6
165.01855	5.6
166.99773	1.5
167.03456	5.4
169.01326	13.5
173.02386	1.5
175.00238	1.9
175.03918	16.7
177.01846	67.1
177.05467	3.2
178.02226	4.0
179.03436	1.5
183.04440	3.2
185.05930	1.4
187.03957	4.0
189.01865	3.4
191.03331	1.8
193.01311	2.8
193.05070	1.2
197.06064	2.0
199.03926	6.5
201.01866	5.8
201.05498	3.2
203.03508	3.1
205.04953	2.0
205.32106	1.2
211.03931	3.6
213.05482	3.3
214.02654	2.2
215.03506	3.0
217.04984	8.1
219.02843	3.4
219.06490	2.3
221.04559	1.4
225.05594	1.6
227.03421	2.6
228.04286	2.3
229.01414	4.0
229.04999	4.0
231.02950	2.7
241.04990	3.9
243.02945	13.7
245.04510	2.6
253.05032	2.2
255.02863	9.3
256.03616	2.9
257.04422	2.3
261.04074	5.1
267.03040	2.8
269.04614	5.5
271.02628	1.8
273.04010	4.3
282.01834	1.5
283.02676	5.8
284.03159	1.8
285.04034	33.1
286.04370	3.5
287.05566	9.9
297.04059	4.4
301.03485	3.0
303.05054	8.9
305.06732	8.5
309.03943	3.6
319.04504	2.0
323.05560	2.9
337.07330	1.9
379.08112	2.2
405.06262	3.6
409.05530	2.3
411.07126	4.6
421.05576	3.2
423.07178	67.4
424.07422	8.3
435.07245	3.8
441.08365	1.7
447.07175	9.2
448.07269	1.3
453.08063	1.3
457.07657	2.2
465.08197	7.4
555.08923	2.5
573.10431	15.9
574.10773	3.5
575.08258	1.6
591.11469	24.5
592.11847	4.0
593.09753	3.8
594.10913	1.5
609.12439	6.9
610.12933	1.9
617.09644	2.1
743.12640	3.4
761.13031	8.9
888.31647	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	913.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.4
70.25134	3.2
81.03329	1.1
83.01269	2.4
93.03339	1.8
95.01259	1.8
95.04909	1.6
97.02850	1.7
97.96929	0.9
105.03361	2.0
108.02039	0.8
109.02822	5.4
121.02838	3.8
123.00767	2.3
124.01547	1.9
125.02338	100.0
126.02699	4.7
131.04916	2.2
133.02872	2.2
135.04446	1.1
137.02345	10.0
139.03882	3.8
145.02875	0.9
147.04402	1.2
149.02342	6.3
151.03906	8.6
157.06491	1.2
159.04381	1.3
160.01530	1.0
161.02347	19.0
163.00294	4.0
163.03893	2.8
164.01047	0.9
165.01830	6.2
166.02576	1.2
167.03442	8.4
167.04807	1.5
168.99971	1.4
169.01335	19.3
169.02768	1.0
170.01686	1.8
171.04312	0.8
173.05946	1.0
175.00311	1.8
175.03920	15.9
176.04298	1.3
177.01851	65.4
177.05458	3.2
178.02242	3.0
179.03444	2.1
183.04445	1.5
185.02274	0.9
185.05945	1.5
187.03967	2.5
189.01866	1.6
191.03413	2.3
193.01324	3.4
193.04927	1.2
194.14655	0.8
197.05917	1.0
198.03030	0.9
199.03963	6.7
201.01866	3.6
201.05544	2.5
202.02396	0.8
203.03456	4.1
205.04979	2.2
211.03954	2.3
213.05481	1.7
214.02713	1.4
215.03510	3.6
217.05011	8.4
219.02954	2.5
219.06567	2.8
221.04520	0.8
225.05521	1.8
227.03506	5.3
228.04234	0.9
229.01408	4.0
229.04973	4.1
231.02879	2.7
239.03397	1.6
241.04977	5.6
243.02939	13.1
243.06693	1.4
245.04492	3.6
251.03322	1.0
253.05092	1.1
255.02977	8.8
256.03659	3.2
257.04529	2.8
259.02335	1.1
261.03943	5.9
267.03012	3.3
269.04581	6.1
273.04099	6.3
281.04449	1.1
283.02472	6.8
283.05762	1.6
284.03217	1.9
285.04044	37.7
286.04422	2.3
287.05634	12.6
295.02734	1.2
295.05939	1.3
296.03098	1.2
297.04016	6.5
299.05612	2.1
301.03552	3.4
303.05093	10.6
305.06635	12.0
306.07013	1.1
309.04031	3.1
313.03464	1.1
319.04398	4.9
323.05527	1.4
327.05124	2.2
335.05560	1.9
337.07123	1.5
347.05624	1.2
361.07034	1.4
379.08115	2.8
387.05179	1.4
391.04221	1.4
391.08603	1.1
405.06146	6.1
409.05777	1.9
411.07190	6.4
421.05414	2.7
423.07211	78.1
424.07599	9.4
435.07193	6.2
439.06766	1.1
441.08270	2.7
447.07315	9.8
448.07565	1.3
453.08459	1.8
457.07721	1.8
465.08301	9.9
466.08252	1.0
483.09348	2.7
555.09314	3.5
556.09955	0.9
573.10352	14.5
574.10590	2.6
575.08234	2.7
591.11444	30.8
592.11847	5.8
593.09247	4.2
609.12115	8.9
610.12848	1.3
617.09595	1.3
635.10284	1.6
743.12689	3.8
761.13684	9.2
762.13422	1.9
920.74091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00193	1.0
71.96899	0.2
77.03842	1.9
79.01759	7.7
88.98670	0.6
90.75678	0.2
93.03342	0.3
97.02829	2.6
98.20531	0.5
103.16000	0.2
109.02820	0.9
115.05344	0.3
121.02847	5.7
122.03636	0.6
125.02309	0.5
137.02315	1.1
139.03922	0.7
141.06943	0.5
145.06480	1.7
147.04387	1.1
150.03128	1.7
155.08546	0.8
159.08064	0.8
165.01842	7.6
166.02327	0.3
169.01237	0.3
169.06477	0.4
171.04442	2.5
172.05084	0.5
177.01859	0.3
178.02690	1.6
183.02925	0.5
183.08066	2.8
191.03398	0.3
197.09633	0.4
199.07611	1.0
201.09116	0.7
210.01688	0.6
211.13365	1.1
223.07593	0.6
225.09152	4.8
226.09462	0.3
227.07098	3.3
241.08650	2.0
251.07115	0.7
269.08173	100.0
270.05713	0.5
270.08536	6.9
450.86633	0.2
463.14035	0.2
584.99353	0.2
636.78906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00182	1.6
69.35567	4.3
70.59468	0.5
83.01225	0.9
94.68496	0.5
95.01227	1.0
98.20635	0.8
107.01260	1.9
109.02818	2.1
109.99971	3.3
110.47478	0.5
111.00741	1.6
117.97742	0.4
121.02814	1.3
123.00754	1.1
124.01561	1.1
125.02359	1.2
137.02332	1.6
137.99472	1.7
139.00266	6.0
139.19606	0.5
148.01517	1.1
151.00272	8.4
152.00995	0.7
163.00272	2.6
164.00986	1.3
165.01851	0.6
165.99007	4.5
166.99759	2.1
169.01340	1.0
178.99770	7.4
183.04451	0.5
187.03882	0.6
192.00694	0.6
193.01421	0.7
199.03903	1.6
201.01886	0.7
203.03430	1.1
206.99423	0.7
211.03987	0.9
214.02623	4.1
216.03903	0.5
226.02650	0.6
227.03497	2.5
227.60551	0.5
228.04109	0.5
231.02887	0.7
239.52794	0.6
239.97868	0.5
242.02138	3.3
243.02945	5.5
244.03621	0.9
245.04469	1.3
255.02928	6.7
256.03427	0.6
259.02399	3.5
270.01691	4.1
271.02472	37.1
272.02823	3.7
287.01950	16.6
288.02499	2.2
299.01962	5.9
300.02722	18.1
301.03461	12.7
302.03732	1.0
315.01529	1.6
316.02213	59.8
317.02954	29.9
318.03238	1.7
325.22034	0.5
447.09299	24.9
448.09613	3.3
461.06760	0.5
462.07269	1.3
463.08798	100.0
464.09152	11.5
464.13953	0.3
485.05917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	0.9
69.25715	0.7
69.26135	1.8
83.01267	0.5
107.01281	1.6
108.02040	0.5
109.02838	1.5
109.99978	2.7
111.00778	1.3
121.02834	1.0
123.00776	1.0
124.01552	0.7
125.02338	1.0
132.10524	0.2
135.00763	0.6
136.01511	0.4
136.98703	0.6
137.02322	1.2
137.99506	1.6
139.00259	4.5
147.04396	0.3
148.01559	0.5
149.02414	0.3
151.00266	7.2
151.03836	0.2
152.01027	1.1
153.01814	0.3
161.02338	0.3
163.00249	2.0
164.01038	1.4
164.98169	0.3
165.01778	0.3
165.98987	3.9
166.99789	2.5
169.01331	1.0
171.04402	0.4
174.03165	0.3
175.03979	0.5
177.01857	0.4
177.63141	0.3
178.99780	6.7
183.04422	0.4
187.03886	0.6
190.99731	0.3
193.01306	0.3
193.98428	0.4
194.99278	0.7
198.03116	0.4
199.03911	0.8
201.01799	0.8
203.03406	0.9
204.04050	0.3
204.79376	0.2
206.99326	0.5
208.00055	0.3
211.03941	0.4
214.02635	1.8
215.03363	0.8
216.04305	0.3
226.02687	0.5
227.03371	1.8
229.04897	0.3
231.02960	0.7
232.03667	0.4
242.02103	2.2
243.02931	4.5
244.03699	0.7
245.04482	0.8
254.02174	0.4
255.02950	5.7
256.03464	0.5
259.02515	2.5
260.02905	0.5
261.03867	0.2
270.01675	3.9
271.02463	28.3
272.02817	2.4
273.04083	0.8
283.02649	0.7
287.01981	11.5
288.02490	2.1
299.01971	6.5
300.02716	18.8
301.03488	14.3
302.03824	1.4
315.01495	1.4
316.02216	51.3
317.02948	29.7
318.03296	2.1
447.09299	27.6
448.09665	2.5
461.07144	0.5
462.08017	1.3
462.14072	0.3
463.08795	100.0
464.09109	9.4
635.76117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12908	0.6
68.72235	0.7
69.03326	0.9
70.87005	1.8
71.01250	15.5
72.99181	0.8
73.02827	2.3
75.93549	0.6
83.01259	2.2
85.02815	3.1
87.00760	4.2
89.02310	11.9
95.01241	1.9
97.02826	2.8
99.00768	0.9
101.02328	13.0
103.88101	0.7
113.02330	6.5
114.59905	0.7
119.03357	3.5
125.02330	4.8
143.03433	2.4
160.53847	0.7
161.04457	3.7
167.03528	0.7
179.05554	3.8
183.13815	6.2
192.06471	0.7
193.12250	1.6
208.21780	0.7
211.13336	100.0
212.13695	6.8
217.07246	0.9
221.06641	1.2
235.08171	6.1
255.23267	58.9
256.23624	5.2
263.07657	0.9
287.07666	2.3
305.08832	2.0
323.09860	0.9
379.12421	15.3
380.12552	0.7
397.13498	43.7
398.13818	3.9
415.14514	6.9
416.15073	0.7
439.61728	0.7
526.44507	0.7
591.26508	7.2
592.26227	1.3
609.27551	4.5
635.36108	3.5
636.37292	0.8
653.37524	5.4
654.37549	0.9
847.50952	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	907.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41005	2.3
71.48964	3.4
86.07983	2.3
105.03347	2.6
108.39083	2.2
109.02853	6.1
119.04881	2.8
123.00735	3.3
125.02329	100.0
126.02667	2.4
133.02838	3.4
137.02345	16.4
139.03894	3.9
147.04343	2.3
149.02332	5.6
150.03023	2.3
151.03894	12.0
159.04454	3.3
161.02354	19.4
163.00209	5.3
163.03938	4.1
165.01808	4.7
167.03418	6.3
169.01340	27.9
174.90424	2.2
175.00261	2.8
175.03870	17.2
177.01862	55.7
177.05460	4.4
187.03926	3.7
197.06012	3.1
199.03937	5.7
201.01825	5.9
201.05508	4.0
203.03424	5.7
211.03831	2.5
215.03462	3.4
217.04967	7.8
219.02875	3.2
219.06488	2.5
227.03459	3.7
229.05127	3.5
241.04950	7.1
243.02962	17.9
252.63574	2.2
255.02931	12.9
257.04407	3.2
261.03973	6.2
267.03098	3.6
269.04510	9.1
273.03998	9.3
283.02432	6.8
285.04007	38.6
286.04416	2.9
287.05643	8.6
297.04034	5.7
303.05182	5.5
305.06604	11.6
323.05780	2.6
335.05576	3.3
374.48282	2.7
377.06796	2.9
405.06024	10.5
411.07236	8.7
421.05099	3.1
423.07196	74.9
424.07523	5.1
435.07230	6.1
441.08252	3.5
447.07068	8.8
465.08218	10.5
483.09009	2.9
529.11505	2.5
571.90491	2.6
573.10406	14.7
574.11115	4.2
591.11389	28.7
592.11987	5.3
593.09558	4.8
609.12195	6.2
722.32770	2.9
743.12158	3.8
904.99689	2.7
933.42010	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	907.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	0.7
67.09037	0.6
69.03314	1.0
71.01262	1.3
71.12708	1.2
79.72501	0.6
81.03341	0.9
83.01265	2.4
85.56217	0.6
89.02315	1.4
93.03333	1.9
95.01241	1.3
95.04893	1.0
96.35712	0.6
101.02328	0.8
105.03329	2.0
107.04914	1.6
109.02828	6.0
111.04452	0.8
113.02316	0.6
117.03334	1.4
119.03380	0.7
119.04958	1.0
121.02841	5.1
123.00770	2.3
123.04390	1.1
124.01552	2.2
125.02334	100.0
126.02674	2.3
131.04930	1.4
132.02129	0.7
133.02904	2.8
135.04486	0.8
137.02336	10.2
138.03226	0.6
139.03918	3.4
143.04976	0.6
145.02838	2.0
147.04361	0.9
149.02350	8.2
150.03156	0.8
151.03903	8.6
157.02913	0.7
159.04485	2.8
160.01584	1.4
161.02345	16.7
162.03041	1.8
163.00290	2.8
163.03864	4.5
164.01073	1.9
165.01843	4.6
166.02588	1.1
167.03421	6.1
167.04753	0.9
169.01331	12.2
171.04443	1.3
173.05992	1.3
174.03143	1.2
175.00342	1.6
175.03912	17.2
176.01001	0.9
176.04359	0.6
177.01845	77.0
177.05257	4.8
178.02173	3.2
179.03404	2.0
183.04445	1.2
185.05988	0.7
187.03874	4.2
189.01863	2.0
189.05411	0.9
191.03447	1.7
193.05069	1.5
197.06015	1.1
198.03131	0.8
199.03951	7.6
200.04668	0.9
201.01819	3.0
201.05537	3.7
203.03429	2.4
205.04994	2.6
211.04007	1.6
213.05608	1.4
214.02628	1.4
215.03401	2.9
217.01411	1.1
217.04990	8.2
219.02921	3.8
219.06583	2.3
221.04462	0.8
223.03993	0.7
225.05533	1.2
227.03456	4.3
228.04248	0.9
229.01488	3.2
229.05013	3.8
230.05643	0.7
231.02879	2.8
231.06587	0.8
238.06152	0.8
239.03410	1.2
240.03998	0.7
241.05037	5.0
243.02972	10.2
243.06656	1.1
244.03383	1.0
245.04510	2.4
251.03441	0.8
253.05025	1.9
255.02945	7.9
255.05685	0.7
255.06801	0.8
256.03650	1.8
257.04437	3.6
261.03943	5.6
267.02966	2.6
269.04581	6.2
273.03995	7.3
279.03116	1.1
280.03864	0.7
281.04611	1.2
283.02554	5.7
284.03128	2.1
285.04031	33.0
286.04272	3.3
287.05600	12.7
288.02963	0.8
288.05795	0.8
293.04358	1.0
295.02557	1.7
297.04044	5.6
298.04626	1.4
299.05704	1.7
301.03510	3.9
303.05078	9.4
304.05356	0.8
305.06729	6.1
309.04031	3.1
313.03540	0.8
313.07166	1.5
319.04764	1.9
323.05551	2.1
325.03436	1.6
325.07242	1.6
327.05164	1.7
337.07199	1.9
339.05148	1.5
349.07309	0.9
355.08350	0.8
367.08304	1.1
377.06943	1.3
379.08282	3.2
403.04498	1.6
405.06046	2.9
409.05502	1.4
411.07294	3.3
421.05807	2.1
423.07196	74.1
424.07443	7.9
435.07190	6.1
439.06812	0.8
441.08176	2.8
447.07129	9.2
448.07858	1.1
453.08160	2.6
465.08240	7.9
466.08890	0.8
483.09546	1.3
487.10172	0.7
555.09235	3.6
569.10675	0.9
573.10400	10.5
574.10913	1.5
587.11859	3.8
591.11401	26.2
592.12140	2.8
609.12317	6.8
737.15216	0.9
743.12897	1.5
755.15735	4.4
762.12872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.1
71.01254	10.0
71.07388	1.4
72.99172	0.9
73.02812	1.5
81.03355	1.1
83.01258	2.6
85.02814	2.3
87.00735	0.9
89.01776	0.9
89.02316	10.0
93.03336	2.3
95.01257	2.2
95.04898	0.8
97.02819	1.0
101.02319	9.2
105.03330	2.6
107.01199	0.9
107.04880	0.9
109.02837	6.7
111.04345	0.8
113.02316	3.2
117.03345	1.5
119.03380	4.6
119.04905	1.5
121.02826	3.7
123.00782	2.3
124.01537	2.0
125.02332	100.0
126.02648	1.9
131.03349	1.0
131.04970	1.2
132.02075	1.0
133.02872	3.4
135.04453	0.7
136.01547	0.9
137.02333	15.0
139.03935	5.3
142.10190	0.6
143.03319	1.6
145.02829	2.6
147.00777	1.4
147.04410	1.4
149.02353	7.5
151.03903	8.6
154.31812	0.6
157.06494	0.7
159.04405	2.1
160.01634	0.9
161.02347	14.7
161.04387	4.1
161.05794	1.1
162.03117	3.2
163.00294	4.3
163.03917	5.0
164.01093	1.8
165.01845	3.7
165.05540	0.8
166.02594	1.4
167.03415	8.1
168.99974	1.2
169.01335	15.2
170.01605	0.7
171.04425	1.2
173.05960	1.2
174.03098	0.9
175.00262	2.3
175.03906	14.0
176.04312	1.0
177.01849	70.9
177.05305	5.6
178.02126	3.1
179.03432	2.4
179.05522	14.0
179.07001	1.0
183.04391	1.9
185.05968	0.8
187.03915	5.6
189.01851	2.0
189.05521	0.8
191.03426	2.5
193.05000	1.7
195.04413	0.7
197.06075	1.5
199.03893	4.9
201.01830	3.3
201.05531	2.3
203.03493	3.0
204.04230	0.9
205.05016	1.2
211.04004	1.6
213.05527	2.1
214.02573	1.1
215.03363	3.1
217.05005	8.0
218.05670	0.6
219.02968	3.1
219.06583	2.5
221.04532	1.0
221.06552	3.6
223.03993	0.9
225.05455	1.6
227.03371	4.0
228.04008	0.9
229.01398	3.8
229.04977	4.8
231.02945	2.0
231.06613	0.6
239.03418	1.0
241.05025	4.3
243.02943	10.2
243.06667	1.3
244.03293	0.8
245.04532	2.3
247.02365	0.9
251.03494	1.0
253.05042	1.8
255.02974	8.3
255.06834	0.7
256.03738	2.5
257.04468	2.9
259.06088	0.9
261.04034	5.5
261.07449	1.0
265.05145	0.7
267.02951	2.4
269.04568	7.2
269.07602	1.2
271.02484	0.8
273.03973	8.0
273.34341	0.6
279.06476	0.8
280.03741	0.8
281.04654	1.7
282.99438	0.9
283.02444	6.5
283.05881	0.9
284.03024	1.4
285.04025	31.6
286.04477	3.0
287.05627	12.0
288.02792	1.0
293.08344	0.7
295.02603	1.3
295.05869	0.9
297.04129	5.7
298.04825	1.2
299.05609	1.0
301.03400	3.4
303.05060	10.7
305.06674	9.9
307.05878	0.6
309.04147	2.3
315.05038	2.0
319.04584	4.5
321.04138	0.9
322.04703	0.8
323.05612	2.0
325.03455	1.3
325.06906	1.6
327.05090	1.7
329.03268	1.2
335.05786	1.3
337.07269	1.4
339.05017	1.0
367.08408	1.0
377.06494	0.8
379.08188	2.5
387.05017	0.8
403.04294	0.9
405.06113	3.9
409.05368	1.4
411.07297	5.6
421.05597	2.5
423.07202	64.5
424.07437	6.3
435.07172	5.9
441.08310	6.5
447.07211	7.1
448.07385	1.1
451.10529	1.8
453.08093	2.5
465.08304	8.0
466.08038	0.9
483.09576	3.3
538.18250	0.7
547.12720	1.0
555.09363	2.5
569.11151	2.5
573.10382	12.3
574.10767	2.1
587.11963	5.2
591.11383	25.7
592.11890	2.0
609.12415	9.1
611.12085	1.4
629.12988	2.1
706.64636	0.7
737.15295	1.0
743.12494	1.0
755.16150	9.1
756.16034	1.2
907.32764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00204	0.8
67.01739	0.4
69.03308	0.4
71.49693	0.5
81.03316	0.6
83.01268	0.9
93.03348	0.5
95.01269	0.4
95.04881	0.5
97.02821	1.2
107.01275	2.1
108.02096	0.5
109.02834	4.3
111.00753	0.7
121.02846	1.3
123.00793	1.0
123.04406	2.2
124.01552	0.8
125.02336	36.3
126.02673	1.2
135.00723	0.4
135.04419	0.3
136.98694	0.3
137.02347	4.3
139.00244	0.6
139.03880	0.8
140.01064	0.3
145.02866	1.2
149.02368	1.1
151.00288	6.3
151.03922	2.5
151.67403	0.4
159.04431	0.9
159.99442	0.2
161.02304	0.4
161.05981	1.2
163.00269	1.1
164.01054	1.3
165.01849	1.3
166.99789	1.0
167.03360	0.3
168.00546	0.9
169.01338	58.4
170.01654	1.6
171.79144	0.3
175.03960	0.6
177.05495	0.3
178.99763	4.9
179.03398	1.0
185.06033	0.4
187.03975	1.2
188.04790	0.8
192.00633	0.3
193.01331	2.1
201.05360	0.4
203.03430	0.6
203.07014	2.7
205.01303	0.3
205.05075	1.8
211.03860	0.4
214.02655	1.4
215.03389	0.5
221.08170	0.3
226.02637	0.3
227.03452	1.2
227.07083	0.6
229.04941	0.4
231.02982	0.4
242.02243	1.7
243.02948	3.4
244.03558	0.5
245.04475	0.6
245.08150	4.7
250.40248	0.3
253.04988	0.7
254.02142	1.2
255.02972	8.0
256.03494	0.5
259.02490	1.1
260.03027	0.4
270.01651	2.1
271.02484	27.4
271.06015	3.2
272.02963	2.2
283.02518	0.5
287.02005	5.0
287.05249	0.2
288.02496	0.7
289.07172	24.8
290.07532	1.8
299.01962	0.9
300.02737	41.5
301.03470	16.9
301.07007	0.7
302.03900	0.9
303.05136	1.1
305.14362	0.3
316.02234	38.7
317.02908	8.4
318.03458	0.5
331.04547	1.2
335.92618	0.3
437.75873	0.3
441.08255	30.4
442.08612	3.0
463.08820	100.0
464.09180	8.8
529.56384	0.4
872.82031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	4.9
71.32258	1.1
71.49839	1.5
83.01244	1.0
83.02374	1.6
83.04893	3.3
85.02821	1.5
87.00719	1.6
89.02315	4.0
92.44248	1.0
96.95878	8.4
101.02302	3.9
110.76232	1.1
113.02348	4.1
119.03367	2.4
125.02338	7.7
130.91061	1.1
141.10480	1.0
143.65228	1.2
161.04433	2.1
163.11189	1.2
165.12735	2.0
169.01332	5.0
179.05498	4.0
209.11768	100.0
210.12056	4.1
227.12837	24.5
235.08119	3.2
243.03055	1.2
255.13295	1.2
305.08984	1.4
309.14603	1.1
323.09872	1.6
331.01196	1.3
335.10864	1.1
370.45386	1.2
379.12439	6.8
380.13168	1.1
397.13477	33.1
407.11548	4.8
415.14429	8.4
584.37830	1.1
589.24896	7.0
607.25983	13.3
799.37335	3.1
817.38531	1.3
903.40137	24.0
904.40216	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	2.5
69.48062	0.7
71.01251	25.8
72.99194	1.5
73.02827	3.5
75.00745	0.8
81.03322	0.9
83.01259	3.5
83.04884	2.1
85.02820	5.1
87.00757	5.2
88.41368	0.6
89.02312	19.9
91.73946	0.7
95.01247	1.9
96.95847	0.8
97.02820	2.9
97.06474	1.1
99.00742	2.2
101.01707	1.3
101.02322	16.9
111.00850	0.7
111.08041	5.0
113.02336	8.3
113.09642	1.3
119.03381	4.1
121.10141	0.7
125.02357	6.0
143.03371	2.6
161.04459	2.4
163.11150	1.7
165.12766	6.7
166.12970	0.7
167.10707	0.7
169.12149	1.3
171.10176	1.7
179.05525	4.0
183.13826	45.6
184.14162	2.8
195.13828	8.3
197.09999	1.1
197.11758	17.1
199.13324	0.8
209.11772	14.7
210.11989	0.9
211.13326	36.7
212.13647	1.8
221.06609	2.6
223.13373	4.1
227.12834	5.0
235.08247	3.5
249.95030	0.7
263.20139	1.0
275.20200	4.2
287.07773	1.2
291.19635	4.4
293.21207	39.3
294.21457	4.0
305.08786	1.2
309.20706	31.3
309.24323	1.5
310.20947	2.6
323.09482	0.9
379.12564	1.8
397.13513	25.5
398.13770	2.1
415.14490	9.5
607.26251	2.0
609.26630	1.2
625.26910	1.0
691.35651	1.0
707.34161	1.0
901.47974	100.0
902.48346	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91258	1.5
69.03317	4.8
70.09613	4.9
70.09975	1.2
71.01252	70.3
71.04886	2.5
72.99172	4.7
73.02807	11.1
75.00703	2.0
78.98430	1.3
79.95592	2.2
80.96378	9.1
81.03310	2.9
83.01237	6.0
83.04877	3.5
84.02020	1.3
85.02821	13.1
87.00748	13.8
89.02317	41.9
93.03323	1.4
94.97929	2.2
95.01252	4.4
95.04881	2.9
96.95931	1.3
97.02821	11.2
97.06428	2.9
99.00787	8.1
101.02322	38.2
109.02814	2.2
109.06461	3.4
111.04371	2.3
111.08043	7.1
113.02332	22.6
116.92685	2.0
119.03392	11.4
122.97462	1.4
125.02328	21.4
125.09595	3.3
127.11100	1.3
131.03380	2.2
139.03883	1.7
139.11139	1.4
141.12749	2.5
143.03397	6.0
149.09512	1.2
151.11154	1.9
153.12755	2.2
161.04456	10.0
163.11201	7.2
164.98492	1.2
165.12703	3.8
167.03378	2.8
167.10652	2.8
169.12292	8.2
171.10181	55.8
171.11671	2.7
171.13908	1.5
172.10519	1.8
179.05563	12.4
179.10678	3.4
181.12286	7.2
183.13838	8.2
185.11755	6.6
189.09224	1.7
193.12184	2.7
195.13855	10.3
196.14212	1.4
197.11722	3.5
199.06030	1.5
199.13327	40.8
200.13708	1.9
201.11267	4.7
205.12209	2.0
207.10187	15.4
209.11780	15.7
211.13332	75.9
212.13713	6.7
215.12802	1.9
217.07082	1.8
221.06616	4.0
223.13301	6.4
225.00665	1.5
225.11273	33.1
226.11688	1.3
227.12840	51.6
228.13248	3.5
229.14374	3.7
235.08185	14.9
235.16896	2.9
243.12303	8.9
245.13821	1.6
253.09232	3.1
263.07715	2.2
266.94827	1.2
275.20142	9.6
277.21722	50.4
278.21954	4.5
279.51028	1.2
287.07858	3.0
289.18295	1.4
291.19672	52.0
292.20038	2.8
293.21222	100.0
294.21402	6.7
305.08749	4.0
307.19205	1.8
308.19446	1.7
309.20654	5.9
319.04739	1.4
323.09729	2.0
379.12442	11.9
397.13467	84.8
398.13873	8.7
399.14478	1.5
415.14594	27.4
416.14835	2.4
439.14505	2.7
485.32700	4.0
551.23596	3.3
569.25073	2.4
589.24139	1.4
607.26227	4.3
609.27374	2.4
623.25519	5.0
625.27490	7.8
675.35773	1.6
770.82782	1.6
828.49347	1.5
883.46832	7.3
901.47668	54.3
902.47974	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	900.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98414	8.4
69.03332	5.9
71.01260	56.5
72.99174	17.7
75.00721	42.3
80.96391	13.6
81.03326	6.2
83.01281	7.0
85.02829	11.5
87.00755	42.1
89.02325	19.0
90.98705	5.2
96.95891	10.6
97.02831	10.1
98.20568	17.1
99.00746	8.8
101.02336	14.0
107.35005	6.0
109.02820	7.2
113.02334	16.1
115.00253	66.2
125.02317	12.9
129.01822	5.6
161.04546	7.7
169.01291	9.3
171.10196	52.9
172.10481	8.4
175.02394	100.0
176.02689	18.3
185.06218	6.4
194.68172	5.9
197.11739	28.7
198.12163	12.7
207.10219	9.6
209.11746	9.5
211.13356	12.3
225.00679	7.1
225.11279	20.7
239.62994	6.3
277.21729	65.9
278.22073	19.6
397.13397	24.4
417.13220	7.4
782.44464	44.0
900.46271	33.0
901.46954	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01238	0.4
73.22368	0.2
73.22896	0.3
74.82903	0.2
81.03311	0.9
83.59419	0.2
84.46404	0.2
85.02821	0.4
91.01761	1.0
95.01260	0.2
98.20671	0.5
108.02036	0.9
113.02283	0.5
122.03622	12.0
123.00739	0.3
125.02346	2.4
132.87553	0.2
136.01549	0.2
137.02365	1.1
153.01874	0.4
154.02615	0.5
156.05763	0.3
156.61743	0.2
161.02394	0.5
169.01315	0.7
169.06458	1.1
169.10133	1.8
171.08070	6.8
172.08395	0.3
195.08195	0.2
213.09142	83.5
214.09499	5.1
223.41412	0.2
231.61014	0.2
239.04605	0.3
239.07091	5.2
240.07341	0.3
255.10190	0.4
257.08142	3.6
258.08453	0.4
285.88336	0.2
419.13452	100.0
420.13812	8.5
610.78564	0.2
611.11847	0.2
640.32104	0.2
668.25873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.478
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40860	3.9
70.49076	1.0
71.01248	10.0
72.12801	0.9
73.02844	1.7
75.00744	5.9
81.03316	1.7
83.04886	3.4
85.02814	3.0
87.00743	2.7
89.02309	9.6
89.75558	0.9
95.01260	1.4
95.04877	1.4
95.67292	0.9
97.02848	1.5
98.20429	1.4
101.02314	9.2
113.02335	6.0
119.03384	3.1
125.02338	4.3
143.03391	2.9
161.04459	3.3
162.32396	1.1
163.11208	4.0
165.12761	1.3
179.05536	6.5
209.11772	100.0
210.12053	4.9
217.07185	1.3
221.06635	1.6
227.12840	23.4
233.30052	1.1
235.08185	5.6
255.23270	38.2
256.23663	2.5
271.68356	1.1
277.21622	1.5
292.86191	1.2
305.08853	1.9
323.09702	2.3
379.12476	16.1
397.13489	51.1
398.13983	1.7
415.14523	8.9
527.43604	1.2
583.54596	1.2
589.25116	7.0
607.26123	10.1
608.26447	1.3
622.40363	1.4
635.36584	3.3
653.37482	4.2
845.49121	3.1
899.47870	36.2
900.48273	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	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	0.6
69.03327	1.1
71.01252	17.5
71.04893	1.7
71.10715	0.3
72.99176	1.7
73.02821	2.9
73.69891	0.4
75.00734	0.4
80.02538	1.4
81.03325	2.3
83.01244	2.1
83.04894	4.7
84.02035	0.7
85.02814	4.1
87.00740	4.5
89.02316	13.9
93.03362	0.6
95.01265	1.4
95.04897	1.6
96.95909	1.1
97.02847	3.3
97.06475	1.3
99.00745	1.1
100.92259	0.3
101.02314	13.0
109.06480	1.6
111.04418	0.5
111.08039	7.2
113.02320	6.8
115.03895	0.5
119.03393	3.7
124.13815	0.4
125.02335	10.2
125.05981	0.5
125.09624	0.5
126.02654	0.6
128.03441	0.4
131.03406	0.7
135.08040	0.7
137.09596	0.4
139.03902	0.7
141.01723	0.8
143.03392	2.1
149.02350	0.4
153.01723	0.4
160.02861	0.4
161.04463	2.7
163.03896	0.4
163.11201	5.0
165.01939	0.5
165.12743	2.8
167.03368	1.6
167.10698	1.3
169.01334	6.2
170.01733	0.4
171.10170	1.6
175.02304	0.4
177.01842	1.2
177.12698	0.8
179.05515	4.3
179.10689	0.7
181.12259	1.2
183.13904	0.7
191.10701	1.4
195.13840	4.9
199.13385	0.6
203.14400	0.4
207.10124	2.4
209.11761	100.0
210.12119	5.4
211.13332	2.2
211.75769	0.4
221.06628	1.6
223.13358	0.7
225.11227	1.1
227.12830	15.5
228.13193	0.5
235.08205	4.7
247.20679	1.5
249.15034	0.8
251.12880	0.5
251.16370	0.9
253.09370	0.9
263.07712	0.6
263.19681	0.4
273.18652	1.3
287.07666	1.1
289.18124	0.9
291.19644	90.7
292.19992	7.0
293.21362	2.5
305.08762	1.6
307.19144	0.7
309.20782	0.9
319.04620	1.0
323.09772	1.1
329.21140	0.8
330.20758	0.4
379.12457	4.3
397.13458	38.6
398.13873	2.9
415.14578	10.9
416.14932	1.0
483.30875	0.5
501.31943	0.5
589.25153	1.0
607.25867	1.3
671.32825	2.9
689.33722	4.8
690.34113	0.9
881.45593	1.5
899.46027	2.9
900.46448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	4.5
71.01249	26.8
71.49133	1.2
72.99187	4.6
73.02800	3.2
75.00745	8.9
80.96352	1.3
83.01247	3.0
83.30870	0.9
85.02818	5.9
87.00746	24.7
89.02324	9.9
95.01247	1.1
97.02847	5.1
99.00753	3.4
101.02312	12.0
109.02844	1.4
111.00772	1.1
113.02337	6.1
115.00256	31.3
115.03896	1.1
116.92674	1.1
117.67653	1.0
119.03375	2.6
123.04369	2.1
123.08004	1.5
125.02367	4.7
125.09640	2.2
127.03874	3.3
135.02881	1.5
139.03938	1.0
143.03314	1.3
153.12758	1.8
161.04468	2.4
161.09618	2.7
169.01369	1.5
169.04866	1.6
169.12204	1.5
171.10179	10.9
175.02393	58.3
176.02692	1.7
179.10667	4.4
183.13814	2.0
186.73155	1.0
197.11760	60.8
198.12097	3.0
209.11768	1.8
211.13268	2.7
221.06645	2.0
223.09666	2.4
235.08209	1.5
241.10695	5.7
241.14464	1.2
252.57501	0.9
253.09154	1.3
263.12775	1.5
267.12299	1.1
277.21710	32.5
278.21951	3.7
281.14069	1.4
285.13477	3.2
293.21124	1.3
330.82626	1.2
337.98218	1.0
397.13385	5.2
415.14737	1.7
460.23581	1.1
781.43671	8.9
782.44171	1.5
803.42828	1.7
821.42865	1.7
881.45313	1.6
899.46381	100.0
900.46680	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03308	8.1
69.08823	1.5
71.01248	44.6
71.88806	1.4
72.99182	13.4
73.02815	5.3
75.00741	44.3
80.96377	5.2
83.01247	5.1
83.04896	3.4
85.02817	13.7
87.00235	2.9
87.00747	41.7
89.02320	10.5
95.00470	1.3
95.01234	2.3
97.02818	6.2
97.06453	1.8
97.18686	1.4
99.00760	4.5
99.97366	1.5
101.02312	15.8
106.72211	1.5
106.72934	1.6
109.02818	4.8
111.00773	2.6
111.04359	2.2
113.02340	11.0
115.00251	62.7
115.03870	2.1
119.03381	2.9
123.04396	5.9
123.08022	2.5
125.02337	5.8
125.09589	2.2
127.03886	5.9
135.02875	4.6
137.09599	1.3
143.03453	1.8
151.03833	1.9
151.11208	2.4
161.09628	1.7
169.04955	4.2
169.12190	7.1
171.02942	2.1
171.10182	27.9
175.02393	94.9
176.02728	3.1
179.10690	6.2
183.13805	1.5
193.12215	3.9
195.13837	4.2
197.11757	66.6
198.12128	4.1
207.10188	2.1
209.11768	2.3
211.13326	7.4
213.14783	1.8
221.11812	2.1
223.09604	1.7
223.13322	4.9
235.01199	1.6
235.08252	5.7
235.13379	2.3
239.12828	6.5
241.10803	1.6
241.14348	7.6
245.11783	3.4
253.09230	6.6
263.12909	3.4
267.12308	4.4
277.21713	100.0
278.21979	7.2
285.13422	10.4
397.13516	6.7
407.19034	2.4
498.95334	1.7
503.21280	3.7
513.30511	2.1
521.22430	3.2
737.42670	2.9
759.44067	2.8
765.44220	1.7
777.41534	4.7
779.41852	8.4
781.43829	66.8
782.44379	15.1
803.41180	2.7
811.45343	3.8
821.43256	12.9
822.44135	2.6
839.44037	5.7
899.46381	94.4
900.46570	20.9
930.42493	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	899.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	2.3
69.82442	1.1
69.82832	1.2
71.01255	55.9
72.01591	0.5
72.99179	2.4
73.02820	15.9
75.00738	1.1
78.53413	0.5
81.03327	1.9
83.01263	7.3
83.04902	2.3
84.02043	1.2
85.02822	23.8
86.03175	0.5
87.00746	3.0
88.98663	0.8
89.02319	14.6
93.03325	4.9
95.01258	4.7
95.04889	1.6
96.95885	0.5
97.02840	3.1
98.19907	0.9
99.00762	5.5
99.24705	0.5
101.02322	35.1
102.02655	0.5
109.02843	0.6
111.00745	2.0
111.04395	1.7
113.02332	18.3
119.03383	5.5
121.02830	4.5
123.04379	1.1
125.02338	6.5
129.01825	1.3
131.03383	1.3
139.03909	1.2
141.01846	0.7
143.03419	2.8
149.05992	2.2
159.02873	2.4
161.04459	13.7
166.60229	0.4
167.03459	0.7
168.89037	0.4
169.01314	1.1
177.01860	0.8
179.05545	3.3
191.05612	0.7
216.72379	0.5
221.06642	2.5
245.06615	1.0
263.07877	2.4
323.09848	5.2
424.79736	0.5
460.43051	0.5
497.29022	1.3
515.30103	9.2
516.30566	1.0
571.31067	0.5
582.33142	0.5
594.76331	0.5
621.81140	0.5
677.35352	16.1
678.35614	2.3
761.25922	0.6
839.40686	100.0
840.40997	18.6
840.53204	0.4
841.92566	0.7
885.40027	0.5
897.98438	0.5
919.00800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	73.3
83.01271	22.0
85.02836	51.0
89.02348	26.1
101.02299	26.7
125.02373	95.8
129.01823	30.4
169.01337	58.1
177.01765	23.6
191.05438	35.7
209.11838	100.0
210.12033	23.1
229.60980	22.0
275.13416	19.8
397.13660	21.2
839.40320	97.9
840.43225	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	898.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99117	5.6
63.26197	4.0
68.94360	4.3
69.77854	9.7
69.78251	19.0
71.01254	100.0
73.02802	9.0
79.95567	6.9
80.96394	9.9
83.01226	4.7
85.02824	6.2
87.00754	8.5
89.02319	15.0
99.00848	4.7
101.02314	16.0
109.06435	6.5
115.00263	7.8
119.03468	6.2
125.02299	13.4
127.11178	6.0
156.02324	4.7
161.04451	6.2
171.10202	38.0
172.10497	7.5
175.02396	12.2
197.11662	5.8
199.09596	10.8
201.11232	17.7
202.11537	5.7
207.10159	15.0
208.10408	5.5
209.11737	7.5
225.11197	7.5
234.93895	5.3
255.23338	38.1
256.23706	21.4
277.21667	9.1
397.13470	21.0
398.13657	5.8
421.14694	5.2
862.49774	8.7
898.49933	12.7
899.44684	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	897.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.1
71.01252	100.0
71.49017	2.8
71.80086	1.5
72.49017	1.8
72.99191	4.7
73.02820	4.2
75.00750	2.2
80.96378	4.6
81.03320	2.4
81.79356	1.7
83.01243	2.6
85.02827	7.4
87.00754	5.9
89.02313	15.2
95.01267	1.9
96.99239	1.6
97.02818	6.6
99.00800	3.6
101.02321	18.2
102.61676	1.7
109.06465	5.8
113.02324	10.5
119.03375	6.3
125.02335	9.5
125.09583	2.5
125.88144	1.6
127.11183	3.1
141.01575	9.9
161.04475	3.6
161.93326	1.9
163.11177	4.6
171.10170	50.7
172.10583	2.3
179.05536	4.6
181.12274	3.3
199.09676	9.7
201.11217	16.2
207.10193	20.5
208.10475	1.7
209.11777	4.4
225.11250	15.1
235.08217	5.6
243.12325	2.9
255.23259	76.4
256.23538	5.5
277.21741	5.2
379.12463	7.4
397.13443	46.1
398.13751	3.8
415.14481	9.2
416.14465	2.1
457.34534	1.7
605.24176	2.2
653.37146	2.2
835.47308	3.5
861.48340	11.4
862.48486	2.3
879.49884	5.4
897.50793	19.1
898.50269	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	897.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18157	0.9
69.03342	2.1
71.01254	100.0
71.49615	0.9
72.01582	1.8
72.99181	2.6
73.02822	3.0
75.00746	1.8
80.96339	1.0
81.03369	0.9
83.01260	3.5
83.04871	1.0
85.02828	4.9
87.00770	4.8
89.02325	16.5
95.01277	1.8
97.02267	0.9
97.02805	4.1
97.03364	0.9
99.00756	2.5
101.02326	17.2
109.06458	4.5
111.04405	1.0
113.02333	9.0
119.03377	4.3
125.02334	6.9
125.09637	2.1
127.11211	1.5
129.01825	0.9
133.04863	0.9
134.58914	0.8
139.03909	1.0
143.03375	3.2
144.44849	0.8
161.04427	3.7
163.11182	1.8
164.11852	0.9
171.10184	50.0
172.10553	1.2
179.05489	3.8
181.08606	1.0
181.12276	2.5
199.09763	8.9
199.13470	1.6
201.11256	10.4
207.10210	13.4
209.11778	1.6
221.06584	1.9
221.11830	4.6
221.13586	0.8
225.11281	10.6
235.08266	6.2
239.12901	1.8
243.12186	1.0
253.09302	1.0
255.23294	62.3
256.23734	4.7
277.21564	2.5
287.07700	2.4
305.08829	2.2
324.94458	0.8
325.90637	1.0
356.58670	0.9
379.12686	4.1
397.13513	36.1
398.13849	3.0
415.14517	9.3
579.23407	1.1
597.23730	1.3
605.25165	1.0
623.25391	2.4
653.38715	1.3
835.47107	1.9
861.48663	9.1
862.49323	2.7
869.43475	0.9
879.48462	1.3
897.50494	11.3
898.50146	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	897.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48355	1.0
73.68214	1.2
81.03345	1.3
83.01257	1.9
93.03314	1.4
95.01254	1.2
97.02818	2.0
105.03308	1.8
109.02832	7.6
121.02814	2.2
123.00763	1.8
123.04404	3.3
125.02331	100.0
126.02647	2.3
133.02817	3.5
135.04436	1.6
137.02328	10.5
139.03860	2.5
145.02802	1.8
149.02390	5.8
151.03915	6.1
159.04424	4.6
160.01514	1.4
161.01096	1.8
161.02350	25.2
161.05972	2.2
162.02956	2.2
163.00298	2.0
163.03920	1.9
164.01015	4.4
165.01837	3.8
167.03371	3.7
169.01328	19.9
175.03903	9.1
177.01845	26.6
177.05452	3.6
179.03374	1.8
183.04457	2.3
185.05963	1.5
187.03903	4.3
189.01775	1.6
189.05516	1.4
193.01357	3.8
197.06030	1.3
199.03845	5.4
201.01883	2.4
201.05463	5.1
203.03456	2.9
205.04893	2.1
211.03923	1.6
212.04591	1.3
217.04996	4.7
219.02908	2.1
219.06483	3.1
225.05463	4.6
227.03427	3.2
229.05014	2.9
229.61499	1.6
231.02908	1.9
241.04985	3.5
243.02959	8.5
243.06566	2.4
245.04558	7.6
245.08264	1.8
251.03462	1.7
255.02988	7.6
256.03693	2.6
257.04437	3.3
261.03903	2.1
267.03006	3.0
269.04520	26.6
270.04874	3.5
271.06155	3.7
273.03973	2.0
281.04599	2.5
283.02390	4.0
285.04034	12.3
287.05606	18.1
288.05829	1.6
289.07169	8.8
297.04007	5.8
298.04565	1.4
299.05615	2.1
303.05063	5.1
305.06552	6.8
309.04245	1.5
309.07513	2.5
379.08255	3.3
395.07806	2.5
405.06238	2.8
407.07697	21.2
408.07913	2.6
419.07684	2.3
423.07199	44.2
424.07428	4.8
431.07700	4.3
435.07254	2.3
437.08945	1.4
439.06421	1.5
441.08200	3.1
449.08765	7.2
457.07614	1.7
467.09933	2.4
474.11768	1.2
539.09589	1.5
557.10822	11.4
558.10883	2.4
559.08380	1.9
575.11884	21.3
576.11987	3.4
577.10046	2.2
593.13373	6.7
601.10278	2.2
619.10907	2.9
727.12927	5.0
745.14258	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	897.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03306	0.9
69.55737	2.9
69.56146	1.0
76.66246	0.6
81.03315	1.2
83.01268	2.3
93.03338	1.2
95.01288	0.8
95.04882	0.9
97.02835	1.1
100.67019	0.6
105.03331	2.1
107.01246	0.7
107.04939	1.0
109.02834	8.7
111.04423	0.8
113.78703	0.6
121.02845	2.1
122.70117	0.7
123.00762	2.6
123.04398	1.8
124.01612	1.5
125.02330	100.0
126.02651	2.8
131.04877	1.3
133.02835	3.2
135.04420	1.1
137.02330	11.5
138.02840	0.7
139.03897	4.5
145.02859	1.0
147.04471	1.0
149.02324	3.2
151.00331	1.5
151.03883	5.5
155.04886	0.7
158.03642	0.7
159.04440	4.0
160.01541	0.9
161.02342	31.0
162.02936	2.0
163.00259	2.3
163.03918	2.5
164.01025	3.5
165.01851	5.0
167.03458	4.5
169.01334	20.4
171.04434	1.0
173.05991	1.3
175.03912	10.2
177.01865	11.1
177.05417	3.6
178.99719	0.7
179.03419	2.7
183.04457	1.6
187.03963	2.9
189.01833	1.7
191.03447	0.7
193.01353	2.2
193.04984	0.9
197.05936	1.8
198.03044	1.1
199.03964	5.2
201.01863	2.1
201.05496	5.7
203.03419	1.8
205.01305	1.1
205.05003	1.9
211.04022	1.3
213.05463	2.9
214.02696	1.0
215.03369	1.6
217.04985	5.8
219.02916	1.7
219.06534	3.2
221.04396	1.3
224.04755	1.2
225.05542	4.9
227.03447	4.4
229.01398	2.9
229.05022	2.3
230.02089	0.7
231.02916	1.9
239.07263	0.9
241.05006	3.4
243.02922	9.8
243.06609	1.7
244.03406	0.9
245.04486	8.1
248.04272	0.7
251.03423	1.2
252.04417	0.8
253.04988	1.8
255.02977	5.5
256.03693	1.2
257.04529	3.0
267.02969	2.4
269.04541	33.2
270.04965	2.6
271.02509	2.0
271.05811	0.8
273.03870	2.9
279.02994	1.1
281.04556	2.5
283.02502	5.4
285.04086	3.4
287.02469	0.7
287.05585	21.5
287.08670	1.3
288.06061	1.5
293.04642	1.6
295.02505	1.2
297.04047	5.2
298.04672	1.3
299.05460	1.6
303.05133	1.1
305.06677	10.3
307.06058	1.1
309.04001	1.7
309.07709	1.7
311.05569	1.9
313.03558	1.9
313.07202	0.9
316.02255	3.2
317.02957	0.9
319.04483	1.1
321.04092	1.0
337.07169	1.1
339.04984	1.0
351.08496	0.9
355.08273	1.0
379.08243	1.9
387.05112	0.8
395.07758	6.2
405.05911	4.5
406.06982	0.8
407.07813	1.7
423.07202	49.5
424.07605	4.5
425.08884	0.9
431.07675	2.9
435.07010	3.0
439.06494	1.1
441.08304	1.2
447.07224	1.7
449.08740	6.6
453.08087	1.0
457.07889	1.3
463.08899	5.1
465.08578	1.1
467.09891	2.4
539.10089	0.8
557.11053	11.9
558.10791	1.5
575.12048	20.9
576.12396	3.3
593.13068	6.5
594.12708	1.0
601.10132	0.8
619.11279	1.6
727.12708	3.1
728.12976	0.8
745.13928	8.0
746.14758	0.9
771.75006	0.7
897.15540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97179	1.2
70.97511	1.6
71.01254	17.4
72.99178	1.7
73.02818	2.2
75.00728	1.4
79.95712	0.9
80.02546	1.3
80.96385	1.1
81.03296	1.6
83.01245	2.4
83.04912	4.9
84.02029	1.5
85.02818	3.4
87.00742	4.0
88.98730	1.1
89.02318	12.6
95.01289	1.1
95.08225	0.9
97.02824	1.8
99.00738	1.3
101.02311	14.2
109.35602	1.0
113.02351	6.8
119.03378	3.4
125.02305	4.9
143.03377	2.6
161.04482	3.6
161.31509	1.0
163.11156	3.4
165.12755	2.5
166.16653	1.0
179.05513	2.8
181.67241	1.1
209.11769	100.0
210.12138	6.5
217.07230	1.1
221.06755	1.3
227.12848	11.5
235.08218	3.8
241.99765	1.0
253.09317	1.7
255.23262	53.1
256.23553	4.0
259.15442	4.5
287.07684	2.3
305.08469	1.2
379.12524	11.2
380.12753	1.1
397.13504	40.6
398.13821	2.2
415.14685	8.4
589.24866	1.7
607.26532	2.2
653.37390	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	895.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	0.9
70.40960	0.8
71.01252	13.0
72.99171	1.0
73.02824	1.7
75.00716	0.3
81.03318	0.4
83.01273	0.9
83.04911	0.4
85.02838	2.3
87.00753	2.0
88.98647	0.5
89.02316	6.6
92.58670	0.4
95.01249	1.1
97.02859	1.7
98.10645	0.3
98.60643	0.4
99.00744	0.7
101.01727	0.3
101.02319	7.0
109.06446	0.4
113.02332	4.7
119.03376	1.9
125.02341	3.0
139.03845	0.4
143.03427	1.4
145.10091	0.4
161.04425	1.7
163.11182	0.5
167.14326	0.7
179.05586	2.0
183.13812	7.9
184.14136	0.5
191.50847	0.3
193.12210	1.6
207.10207	1.7
209.11743	0.7
211.13329	100.0
212.13670	5.1
217.07083	0.5
219.84222	0.3
220.14619	1.2
221.06555	0.8
221.15352	2.9
225.11269	1.4
227.12854	0.5
235.08284	2.3
236.10532	2.9
253.09393	0.5
253.14543	0.4
275.87540	0.3
287.07825	0.8
287.15915	0.4
293.17593	1.2
301.09070	0.4
305.08664	0.9
323.09793	1.0
367.88477	0.4
379.12427	5.3
397.13455	18.2
398.13950	1.2
415.14478	3.9
519.29132	0.4
591.26459	11.3
592.26752	1.7
609.27576	10.8
610.27747	1.1
679.75714	0.3
785.39905	3.0
786.39691	0.7
799.37225	0.7
803.40509	3.0
804.41437	0.5
817.38831	1.0
854.31445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03300	2.6
71.01250	100.0
71.04719	2.3
72.99184	4.2
73.02818	3.4
73.35770	1.2
75.00726	1.3
78.93785	1.3
81.03296	2.0
83.01254	2.3
83.04855	1.8
85.02821	6.3
87.00745	6.2
88.98667	5.4
89.02316	21.9
95.01283	2.3
97.02835	7.5
99.00733	3.0
100.81027	1.5
101.02332	14.2
109.06473	14.7
112.11274	1.4
113.02316	8.8
119.03346	4.7
125.02338	10.8
125.09586	2.5
135.08055	3.2
143.03371	3.7
161.04401	2.6
163.11185	11.0
169.01350	1.8
171.10205	9.8
179.05511	2.8
181.12263	3.6
183.13847	8.6
185.11728	3.9
189.94748	1.2
199.09554	2.0
199.13327	4.3
201.11229	4.6
207.10196	44.3
208.10477	2.4
209.11697	12.8
211.13327	87.0
212.13669	4.8
221.06636	2.6
225.11250	26.7
227.12813	8.9
235.08177	2.2
237.46501	1.4
243.12308	3.4
269.08173	3.0
379.12308	3.8
383.22534	2.7
391.24985	3.4
397.13449	32.7
398.13629	2.2
401.23300	7.3
415.14349	9.0
419.24295	6.1
510.68005	1.6
591.25873	2.0
605.24548	4.1
609.27570	2.6
623.25415	4.3
733.46881	1.5
771.37976	2.8
777.98724	1.6
799.37640	13.2
800.38177	3.8
817.38464	26.6
818.38690	10.6
835.40625	2.6
907.11603	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	895.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99659	1.6
69.03332	2.1
71.01251	97.2
72.01593	1.4
72.99179	4.7
73.02820	4.8
75.00720	1.4
75.60895	1.2
80.02547	1.3
81.03333	2.4
83.01265	2.6
83.04884	1.8
85.02821	6.5
87.00774	6.1
88.98692	9.3
89.02312	18.5
93.03320	1.5
95.01259	4.2
97.02819	8.5
99.00751	3.8
101.02325	17.6
107.04873	1.5
107.21359	1.3
109.06480	17.4
111.04416	2.5
113.02336	9.6
119.03391	5.2
123.04409	1.3
125.02348	9.7
125.09600	2.3
135.08002	1.8
142.02608	1.8
143.03419	2.1
149.02235	1.5
161.04443	4.7
163.11186	11.2
167.44397	1.4
169.01349	2.3
171.10190	12.6
175.53981	1.4
179.05473	6.2
181.12241	4.1
183.13808	7.7
185.11774	3.0
186.41714	1.2
193.12233	2.9
197.11812	1.8
199.09741	1.9
199.13272	2.3
201.11226	9.0
207.10193	44.1
208.10623	3.5
209.11784	11.5
211.13335	100.0
212.13663	5.7
221.06567	4.0
225.11250	33.9
226.11536	2.0
227.12915	7.6
235.08130	6.3
243.12338	3.9
253.09340	1.3
305.08661	1.8
325.43509	1.6
373.24136	1.8
379.12329	6.1
383.22110	2.6
391.24896	3.6
397.13513	35.6
398.13831	2.5
401.23367	4.1
415.14520	8.6
419.24368	4.2
591.26495	5.0
605.24603	3.9
609.27539	4.7
623.25537	9.3
754.44067	1.6
771.37573	2.9
781.37445	1.6
799.37616	11.8
800.37476	2.4
815.27515	1.8
817.38409	24.7
818.38629	7.3
835.40393	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	893.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92119	0.4
70.68823	1.0
70.69195	1.0
71.01256	6.1
72.99178	0.5
73.02800	1.0
79.01759	4.2
83.01258	1.0
85.02807	0.9
87.00770	1.2
87.04420	0.8
89.02307	4.8
97.02853	0.6
99.08035	3.4
101.02323	3.9
109.02818	0.8
113.02326	2.1
119.03364	1.3
121.02820	0.4
121.06529	1.1
123.08029	0.9
125.02322	1.8
130.82527	0.4
138.58917	0.5
147.04407	0.6
149.05975	6.3
150.03209	0.8
159.08066	0.6
161.04498	1.0
165.09106	2.0
167.07060	10.5
169.12238	1.8
171.04428	2.1
173.09592	0.7
179.05542	1.0
183.08064	1.3
191.03427	0.5
191.05539	2.0
193.04980	9.3
194.05132	0.6
197.11758	28.5
198.12065	1.3
206.05740	0.5
209.08110	6.1
211.11205	1.4
235.08130	1.1
253.12326	8.2
254.12695	0.8
255.10245	1.0
255.23267	17.9
256.23605	1.4
297.11316	100.0
298.11633	11.2
305.08813	1.0
357.11362	0.5
366.83087	0.6
379.12433	4.0
380.12439	0.6
397.13474	12.6
398.14136	0.9
401.17593	0.6
415.14590	2.2
427.15186	0.8
577.24957	1.9
592.86511	0.6
595.23474	5.3
596.23901	1.2
635.36981	0.8
653.37006	2.5
681.33612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53585	0.3
69.16520	1.6
69.16951	1.5
71.01258	2.8
73.02820	0.4
79.01756	4.3
81.85083	0.3
83.01260	0.8
85.02831	0.6
87.00752	0.8
87.04368	0.6
89.02315	2.0
95.04865	0.3
97.02835	0.6
99.08044	1.9
101.02323	2.7
109.02861	0.4
113.02325	1.3
119.03396	0.5
121.06461	0.7
123.08038	0.4
125.02338	0.9
125.05962	0.6
126.25568	0.3
143.03406	0.5
149.05991	4.8
150.03133	0.6
152.04659	0.4
155.08565	0.4
159.08017	0.5
161.04494	0.6
161.05913	0.4
165.09123	1.2
167.03325	0.3
167.07056	9.6
168.07332	0.3
169.12285	1.4
171.04445	1.8
173.09641	0.7
178.02605	0.4
179.05573	0.7
183.08107	1.0
191.05487	0.5
193.03352	0.6
193.05000	6.3
194.05280	0.3
197.11763	16.9
198.12100	0.5
200.08385	0.6
209.08121	5.7
209.43126	0.3
210.08614	0.4
211.11180	1.2
217.07092	0.3
221.06662	0.4
221.16138	0.3
235.08232	0.9
253.12347	8.3
254.12697	0.8
255.10193	0.3
255.23285	10.7
297.11322	100.0
298.11697	9.5
298.15240	0.3
305.08771	0.3
329.59381	0.3
357.11371	0.8
379.12531	2.1
383.16187	0.6
397.13507	7.2
401.17670	0.8
415.14505	1.5
427.15604	0.6
491.32559	0.3
577.24597	0.7
595.23419	5.3
596.23993	1.0
602.02191	0.3
635.37036	0.4
653.38080	1.0
893.49384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02271	1.1
65.00184	1.0
69.26391	4.4
75.29348	0.5
81.03331	1.3
83.01274	2.0
83.58398	0.4
89.47884	0.4
91.01835	0.5
91.22285	0.4
93.03368	0.5
98.13433	0.4
107.01247	2.7
108.02077	0.7
108.61850	0.5
109.02846	2.6
121.02843	1.3
122.03638	6.1
123.00715	0.9
124.01545	0.7
125.02333	28.6
126.02635	0.5
128.72726	0.4
137.02341	4.0
139.03952	2.6
147.00771	2.7
151.00269	12.1
151.03911	0.5
152.01048	2.3
153.01845	9.5
153.03088	0.5
155.03439	0.6
156.05756	0.4
159.04424	0.7
165.01834	5.6
166.02550	0.5
167.03372	3.2
169.01315	2.4
169.06560	0.6
169.10188	1.0
171.08023	3.2
175.00281	19.8
175.29543	0.4
175.62407	0.4
176.00752	0.9
176.57390	0.4
177.01862	1.2
178.99773	24.0
180.00150	0.6
181.01367	1.8
184.54878	0.4
185.02328	1.0
185.05876	0.4
187.03976	1.0
191.03410	9.2
193.01350	100.0
194.01657	3.7
205.05037	1.2
213.09142	46.5
214.09520	3.4
215.03430	7.4
229.05025	1.5
233.04572	2.0
239.03450	1.1
239.07146	2.3
257.04559	6.8
257.07932	1.2
258.04797	0.5
283.02512	1.4
291.04965	0.5
292.38910	0.5
301.03531	14.8
302.03934	1.0
319.04562	94.2
319.46109	0.5
320.04919	6.0
345.02554	1.7
391.92657	0.4
419.13458	30.6
420.13889	2.9
471.05710	13.4
472.06076	2.3
858.11792	0.5
881.12061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	2.9
62.25637	0.8
69.03304	0.9
69.70490	0.7
70.69386	2.3
71.01254	19.0
72.99168	1.8
73.02811	2.8
78.95784	1.3
83.01247	2.8
85.02815	5.4
87.00738	4.8
89.02314	15.2
95.01261	1.2
97.02842	4.1
99.00736	1.0
100.17664	0.9
101.02324	13.6
110.90836	1.0
113.02320	8.5
116.92745	1.0
119.03365	4.2
121.02800	1.4
125.02352	9.0
125.09541	0.8
127.11205	1.7
143.03389	2.9
153.09102	0.9
160.25705	0.9
160.82695	0.7
161.04442	3.2
171.10173	100.0
172.10521	3.7
179.05577	4.4
199.06114	1.5
209.11797	5.9
210.11957	1.0
217.07022	1.9
221.06610	1.7
235.08235	6.1
259.08389	1.1
277.21713	67.5
278.22049	5.8
281.24814	1.3
287.07718	2.8
295.12753	0.8
305.08646	2.7
323.09708	1.1
368.42831	0.9
379.12433	15.9
379.94171	0.9
380.12762	0.9
397.13483	46.9
398.13617	4.1
415.14597	8.2
416.14948	1.1
424.33597	0.8
551.23413	3.6
569.24426	1.9
628.45538	0.9
629.23035	0.8
657.34570	1.2
675.36090	3.0
889.48474	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	889.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.9
68.99638	0.7
69.03327	0.9
69.79578	3.6
71.01253	17.4
72.99189	1.8
73.02809	3.2
75.00751	0.8
81.03326	1.2
83.01257	1.9
83.04888	1.5
85.02815	4.4
87.00761	5.1
89.02317	16.6
90.02687	1.0
95.01258	1.7
97.02846	3.8
99.00777	0.9
101.02323	14.2
101.04963	0.8
111.80251	0.6
113.02319	7.8
115.03878	0.6
116.92762	2.9
119.03401	3.4
125.02319	9.0
125.09574	0.8
126.02673	0.7
127.11141	1.7
131.41667	0.5
133.04980	0.6
137.02313	0.7
138.72125	0.6
143.03362	2.8
153.09129	1.0
161.04459	4.1
163.11142	0.7
167.03398	0.7
168.12946	0.7
171.10181	100.0
172.10541	2.8
178.46771	0.6
179.05539	2.7
185.11803	0.7
199.06015	0.8
209.11778	20.2
210.12134	9.9
211.12366	1.9
213.11253	1.0
217.07138	1.7
221.06696	1.3
227.12814	2.3
228.13278	1.1
235.08102	5.8
253.09457	0.8
259.08197	0.8
267.66473	0.7
272.74817	0.6
277.21716	53.2
278.21997	4.4
279.23288	6.9
280.23718	4.6
281.24173	2.4
287.07681	2.6
290.37842	0.6
305.08929	3.0
307.19287	0.8
323.09564	1.0
324.22293	0.7
368.73676	0.6
379.12411	15.5
380.12894	1.8
397.13507	39.8
398.13733	5.5
399.14017	1.5
415.14600	6.1
416.14697	1.7
551.23633	4.2
569.24524	3.9
657.35114	1.3
675.35974	1.5
780.67102	0.7
889.49188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	2.7
69.03320	1.3
69.05821	0.4
69.20972	1.5
69.21393	1.9
71.01253	24.1
72.99171	2.6
73.02814	4.2
75.00769	0.8
79.69743	0.3
79.95655	0.6
80.96394	1.3
81.03335	1.1
83.01251	3.3
83.04882	0.8
85.02821	6.5
87.00742	4.4
89.02317	17.5
95.01252	2.1
97.02818	2.8
97.06474	0.6
98.20571	0.9
99.00763	1.9
99.04435	0.4
101.02320	16.5
102.02654	0.6
109.02773	0.5
109.06498	0.5
111.00779	0.5
111.08047	0.9
113.02334	7.4
117.74094	0.4
119.03410	3.7
120.90963	0.5
125.02329	4.9
131.03381	0.6
139.03897	0.5
142.35782	0.4
143.03412	2.0
155.92064	0.5
161.04477	2.7
163.11243	0.8
165.12776	6.0
179.05521	2.6
183.13828	77.0
184.14192	4.3
207.10196	0.7
209.11752	7.9
210.12122	0.8
221.06609	2.9
225.11182	0.9
227.12866	7.8
228.13210	0.4
235.08081	2.7
253.09164	0.5
277.21710	35.7
278.22070	3.2
287.07767	0.5
295.97473	0.3
298.18002	0.4
305.08734	0.5
323.09769	0.6
364.99081	0.4
379.12283	2.5
397.13483	13.4
398.13797	1.1
407.55551	0.4
415.14526	3.1
431.40244	0.4
563.48975	0.5
607.26062	1.5
625.26996	3.7
650.58008	0.4
705.42621	0.6
867.47980	0.5
885.48486	100.0
886.48828	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
69.76685	0.2
71.01259	0.4
71.49259	0.3
78.65263	0.2
79.95611	0.3
80.96400	0.6
85.02847	0.2
89.02331	0.4
94.98001	0.2
97.40478	0.2
101.02332	0.4
113.84329	0.2
114.76579	0.2
153.11906	0.2
160.85823	0.2
166.87970	0.2
183.13826	0.2
198.46889	0.2
199.13431	0.3
209.11780	0.6
225.00739	0.3
227.12892	0.6
266.27200	0.2
277.21725	0.6
278.21927	0.3
279.23312	0.4
295.06577	0.2
303.26825	0.2
397.13461	0.5
812.51331	0.2
886.48407	0.4
887.48706	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	885.4847
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98692	4.7
69.03311	1.6
70.52296	1.3
70.52625	0.5
71.01250	20.4
72.99181	1.2
73.02820	3.4
80.96364	0.9
81.03353	0.8
83.01244	2.3
83.04900	0.7
85.02815	4.9
85.89159	0.5
87.00749	3.6
87.41499	0.5
89.02316	15.2
95.01245	1.5
97.02820	2.5
97.06408	0.7
99.00736	1.5
101.02321	14.6
109.06435	0.5
111.04428	0.8
111.08043	1.2
113.01607	1.0
113.02328	7.4
119.03385	4.6
125.02341	4.2
131.03372	0.9
143.03363	1.8
161.04433	1.7
162.41135	0.7
165.12784	4.8
179.05501	2.9
183.13824	44.8
184.14139	2.4
209.11755	2.6
221.06645	2.2
227.12837	3.7
235.08156	2.1
253.09361	0.6
259.20551	0.6
275.20096	0.7
277.21704	51.1
278.22046	4.0
323.09113	0.6
329.89240	0.6
366.58765	0.6
379.12427	1.6
397.13449	12.5
398.13956	0.9
398.19867	0.6
415.14502	2.4
461.83261	0.6
531.48846	0.5
548.24664	0.6
607.25964	1.2
625.27130	1.1
785.95569	0.5
836.99432	0.6
885.48462	100.0
886.48853	32.4
886.62189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	0.4
62.66363	0.2
63.16282	0.2
68.99702	0.4
69.03309	1.1
71.01250	16.9
71.06682	0.4
71.07025	0.2
72.99184	1.5
73.02820	2.7
75.00758	0.3
76.31452	0.2
80.02543	1.0
81.03334	1.9
83.01266	2.3
83.04894	4.5
84.02054	0.9
85.02820	3.9
87.00750	4.5
87.04379	0.2
89.02315	14.9
92.12427	0.2
95.01266	1.5
95.04900	0.8
97.02827	3.3
97.06456	0.3
98.11382	0.2
99.00758	0.8
101.02317	13.1
102.02660	0.2
109.02769	0.4
109.06492	0.5
111.00712	0.4
111.04449	0.3
113.02326	7.6
114.02663	0.2
115.03873	0.4
119.03375	4.3
121.02850	0.5
125.02333	6.7
125.05948	0.5
126.02733	0.3
127.03904	0.2
131.03391	0.9
133.04987	0.3
135.08067	0.4
139.03941	0.5
141.01822	0.5
142.75427	0.2
143.03409	3.0
149.04500	0.4
153.42734	0.2
161.04478	3.8
163.11198	4.1
165.12758	2.4
167.03394	0.5
179.05521	4.1
181.04979	0.3
181.12262	0.5
191.10690	0.9
199.06058	0.5
199.13354	0.5
207.10310	0.7
209.11771	100.0
210.12111	6.0
217.07080	0.7
221.06688	1.5
227.12839	11.9
228.13177	0.8
233.22862	0.3
235.08179	4.7
245.06621	0.4
251.12920	0.3
253.09224	0.7
263.07590	0.4
275.20203	0.4
277.21710	54.6
278.22049	4.7
287.07770	1.5
291.23303	0.4
305.08722	2.3
319.22778	0.3
323.09882	1.1
361.11328	0.4
379.12448	6.2
379.17035	0.5
380.12711	0.5
397.13470	39.9
398.13757	3.4
415.14536	9.1
416.15036	0.7
580.64691	0.3
589.25604	0.3
607.26129	0.9
675.35669	0.6
885.46362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34680	0.2
67.58149	0.2
68.99686	0.2
69.03326	0.9
70.35437	0.6
71.01254	15.8
72.99181	1.1
73.02434	0.4
73.02814	2.6
75.00755	0.2
80.02567	1.0
81.03321	2.3
83.01259	1.7
83.04891	4.6
84.02050	0.9
85.02822	3.7
85.99979	0.3
87.00744	3.6
89.02316	14.2
90.64504	0.2
93.03341	0.4
95.01265	1.6
95.04914	0.7
97.02832	2.9
99.00767	0.6
101.02320	11.5
109.02779	0.3
111.00814	0.3
111.04419	0.3
111.08063	0.2
113.02332	6.4
114.02692	0.2
119.03393	3.8
121.02887	0.4
123.56487	0.2
124.01524	0.4
125.02333	5.8
125.05991	0.5
129.01871	0.2
131.03416	0.6
133.04974	0.4
135.08041	0.8
139.03931	0.4
141.01819	0.5
143.03412	2.3
145.04985	0.4
147.11702	0.2
149.04480	0.5
153.53032	0.2
157.23468	0.2
161.04469	3.0
163.11203	3.8
164.11586	0.3
165.05560	0.2
165.12773	2.5
167.03358	0.3
174.05281	0.2
179.03494	0.3
179.03775	0.3
179.05515	3.5
181.12256	0.7
191.10722	1.1
197.57819	0.2
199.06197	0.6
199.13260	0.2
209.11771	100.0
209.42609	0.2
210.12120	5.6
211.13382	0.4
217.07152	0.6
219.04973	0.3
221.06631	1.3
227.12836	11.0
228.13239	0.7
235.08202	4.5
245.06648	0.4
251.12866	0.5
253.09209	0.9
259.08145	0.4
263.07709	0.5
277.21716	49.0
278.22049	5.0
282.26337	0.2
287.07736	1.4
291.23257	0.3
300.01920	0.2
305.08792	1.9
323.09866	1.3
361.11533	0.3
379.12427	5.8
380.12720	0.4
397.13489	33.2
398.13831	2.4
415.14548	8.3
416.15134	0.5
589.25085	0.4
607.26074	0.6
675.35815	0.5
682.37085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90473	0.2
69.03322	0.9
71.01253	14.3
71.04942	0.3
72.99169	0.9
73.02824	2.3
75.00745	0.3
80.02551	1.7
81.03338	2.2
83.01265	2.0
83.04402	0.4
83.04897	5.9
84.02037	0.7
85.02819	2.9
87.00751	3.2
89.02319	11.8
93.03299	0.3
95.01263	1.4
95.04890	0.7
97.02827	2.5
98.20562	0.6
98.87927	0.2
99.00741	0.9
99.04369	0.3
101.02322	10.4
109.06462	0.4
111.04420	0.3
113.02341	5.9
119.03398	3.7
120.50600	0.3
124.01539	0.3
125.02340	5.6
125.05984	0.4
129.01727	0.3
129.73286	0.2
131.03358	0.4
133.04970	0.3
135.08046	0.9
137.74327	0.3
141.01794	0.4
143.03398	2.4
149.04422	0.3
161.04471	3.0
163.11205	4.3
165.12787	2.2
167.03371	0.4
179.05521	3.4
181.12204	0.7
191.10645	1.0
199.06117	0.4
207.10214	0.3
209.11769	100.0
210.12126	5.9
211.13229	0.4
217.07088	0.8
221.06602	1.7
223.13271	0.2
227.05595	0.3
227.12846	13.0
228.13138	0.7
229.49501	0.3
235.08180	4.2
245.06631	0.3
251.12842	0.7
253.09216	0.7
259.08292	0.4
277.21722	42.3
278.22043	3.9
287.07742	1.6
305.08868	1.7
323.09772	1.2
343.69296	0.2
361.11295	0.3
379.12473	6.0
380.12933	0.4
397.13492	32.1
398.13843	2.9
415.14557	8.4
415.19989	0.5
416.14893	0.6
589.25403	0.3
590.24780	0.3
607.25983	1.5
629.15820	0.3
675.35559	0.4
885.47974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00187	0.9
71.01276	1.0
71.49421	0.9
81.03320	1.6
83.01249	1.2
85.02808	0.7
89.53790	0.6
91.01777	1.2
107.01264	2.1
108.02074	0.6
109.02824	1.0
121.02837	1.7
122.03622	13.6
123.00732	0.7
124.01544	1.2
125.02336	2.9
132.00427	0.5
137.02330	3.2
149.02307	0.6
151.00269	9.4
151.34177	0.5
152.01059	0.9
161.02385	0.5
163.00349	1.2
169.01332	2.1
169.06519	0.9
169.10095	1.9
171.08072	7.1
178.99782	5.6
195.08224	0.6
213.09149	84.6
214.02646	3.7
214.09473	4.9
215.03134	0.5
239.07100	5.4
242.02286	2.8
243.02870	1.4
246.41539	0.6
255.03024	0.9
257.08096	3.5
259.02521	3.1
260.02863	0.8
270.01691	2.9
271.02466	20.4
272.02805	1.7
287.01971	11.8
288.02429	0.9
300.02795	2.6
301.03506	16.7
302.03760	1.7
316.02222	54.8
317.02872	13.4
318.03262	1.1
419.13461	81.5
420.13803	8.1
445.07758	0.7
457.47977	0.6
463.08804	100.0
464.09155	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	885.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	3.2
69.03344	0.3
71.01256	1.7
71.49781	0.6
79.95599	0.3
80.96383	0.4
85.02839	0.3
86.37450	0.3
89.02342	0.5
96.95869	2.7
97.02825	0.5
97.07310	0.3
111.08042	1.3
122.26377	0.3
125.02343	1.1
134.73134	0.3
139.81313	0.3
163.11148	0.4
165.12744	16.6
166.13104	1.0
167.45610	0.3
169.01341	1.0
171.10181	0.8
175.02304	0.4
183.13818	77.8
184.14160	4.5
201.11259	0.4
207.10101	0.3
209.11786	5.3
211.13312	4.1
227.12825	100.0
228.13156	6.9
232.23671	0.3
235.08073	0.4
253.09290	0.3
263.03012	0.3
388.38342	0.3
447.22400	0.4
467.22504	0.3
621.32654	1.2
653.62671	0.3
874.22302	0.3
885.40045	0.7
886.40961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	38.5
69.03326	1.2
70.63441	1.8
71.01254	15.6
72.99183	2.8
73.02826	2.5
75.00746	0.9
80.02554	1.3
81.03318	2.4
83.01251	4.5
83.04894	5.9
84.02041	2.3
85.02825	5.1
85.65215	0.6
87.00751	5.0
88.98675	2.9
89.02322	13.0
93.03329	1.1
95.01299	1.0
95.04933	0.6
96.95917	1.5
97.02843	1.6
97.06471	1.0
99.00809	1.5
101.02326	12.0
103.34199	0.6
109.02821	0.7
113.02329	7.5
115.00269	1.4
119.03394	2.7
125.02338	8.4
125.09637	2.9
127.11198	0.8
129.01810	1.8
133.04921	0.7
135.02919	0.8
135.08067	1.1
143.03391	2.1
161.04431	3.2
163.11209	5.3
165.12776	3.4
167.03438	1.3
169.01363	4.0
171.10188	2.9
171.11504	0.6
175.02478	1.6
179.05569	3.6
181.12315	0.9
190.99940	0.6
191.05489	5.1
191.10698	3.0
196.71126	0.6
197.11879	1.1
199.13292	0.8
209.11775	100.0
210.12135	4.5
221.06677	1.6
223.13269	0.9
226.12065	0.8
227.12848	13.4
228.13133	0.8
235.08174	3.0
241.14427	1.1
243.15976	1.1
253.09296	1.5
273.17072	96.0
274.17447	6.4
287.07825	0.7
297.17007	1.0
305.08685	2.0
316.01791	0.6
323.09744	1.2
379.12500	3.7
389.19012	0.7
397.13477	34.4
398.13785	1.7
415.14532	11.2
416.14792	0.9
465.28510	1.3
607.26215	1.9
653.30267	1.7
663.61554	0.6
671.31079	2.4
756.56787	0.7
881.41064	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	882.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.98404	0.2
69.14547	1.2
71.01242	0.3
75.00747	0.4
79.63009	0.1
85.02826	0.2
89.02321	0.2
98.19841	0.2
98.33255	0.1
101.02332	0.2
110.50195	0.1
125.02330	0.3
129.01830	1.1
130.02173	0.2
132.11642	0.1
135.02881	0.4
166.06900	0.1
169.01309	0.3
171.10126	0.1
175.02318	0.1
183.13832	0.1
184.06740	0.1
191.05510	0.2
209.11803	0.4
211.13281	0.7
212.13686	0.2
227.12801	0.2
249.78474	0.1
352.02417	0.1
387.69901	0.1
397.13425	0.3
593.95667	0.1
645.19049	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31166	1.5
69.31559	6.5
102.18224	0.6
105.44405	0.7
107.01227	1.0
108.01987	0.7
121.02802	1.2
125.02320	4.6
149.47276	1.0
151.00247	5.0
151.19769	0.7
157.43776	0.8
161.02275	1.0
163.00314	0.9
167.03310	0.7
169.01343	1.0
175.03955	1.2
177.01768	2.1
178.99747	2.8
179.51672	0.8
185.06023	1.0
222.12483	0.7
226.02780	0.8
227.03500	9.0
227.07039	5.0
243.02885	5.4
245.04459	1.1
254.02118	1.4
255.02936	24.2
256.03461	1.6
271.02463	33.2
271.05511	1.7
272.02905	2.5
283.22198	0.9
284.03278	12.9
285.03934	4.2
300.02728	90.9
301.03400	24.5
302.03711	1.3
313.07101	0.8
376.39465	0.8
423.06961	1.0
433.07635	100.0
434.07980	9.5
447.09326	19.2
448.09509	2.2
578.73608	0.8
602.69098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	49.7
66.60751	1.3
68.52357	1.5
69.03304	4.3
71.01250	22.7
71.04890	2.8
72.99187	8.7
73.02824	2.6
75.00745	16.4
79.95593	1.4
80.02522	2.5
81.03336	3.7
83.01255	3.0
83.04893	8.9
85.02821	8.0
87.00753	9.5
89.02310	13.2
93.03321	1.7
95.01259	2.2
95.04899	2.2
96.95885	26.4
97.02834	3.8
97.06487	2.3
98.28168	1.3
99.00724	2.7
101.02313	12.0
101.29771	1.5
113.02335	5.7
115.00263	13.8
115.03873	1.6
119.03346	2.3
125.02344	12.6
125.09609	2.4
127.03901	2.3
135.02887	1.7
135.08104	2.0
137.02429	1.3
138.12640	1.2
153.12833	1.7
153.47739	1.5
161.09612	2.1
163.11174	5.9
165.12730	3.8
167.03413	1.6
169.01364	11.4
169.05014	1.9
169.12184	2.0
171.10168	12.9
175.02420	22.3
176.02757	2.3
177.01878	2.4
179.10706	4.9
191.05553	6.3
191.10704	2.3
193.12186	1.5
197.11755	61.1
198.12088	2.1
209.11768	100.0
209.65573	1.4
210.12096	4.5
211.13278	1.9
221.06635	1.8
227.12811	7.4
235.08168	2.2
239.12817	3.3
241.10732	3.4
253.09129	4.4
273.16995	1.7
285.13434	4.4
309.15005	4.3
335.83496	1.5
397.13260	3.9
407.11710	17.6
408.11948	1.7
445.20923	1.9
503.21133	2.7
713.33844	5.7
731.35132	24.6
732.35339	3.4
759.34442	2.5
761.35767	5.0
803.36853	5.5
849.37512	63.0
850.38306	14.7
881.40179	32.5
882.40558	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	879.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	50.0
62.94867	2.1
66.31345	2.1
69.03301	2.9
71.01244	19.8
71.04919	5.1
72.99154	3.5
73.02799	2.6
74.19820	2.2
75.00748	10.4
80.96373	2.3
83.01227	3.0
83.04868	4.2
85.02805	6.4
87.00745	3.8
87.23650	2.3
88.98678	7.1
89.02311	15.4
97.02845	2.5
101.02323	12.1
113.02300	7.1
119.03387	4.4
125.02316	11.4
135.07858	2.1
143.03383	3.7
163.11168	5.8
165.12782	3.2
169.01320	6.5
171.10249	3.5
175.02351	4.7
179.05548	3.7
183.13831	9.8
191.36977	2.5
193.12305	2.5
209.11752	97.7
210.12117	4.4
211.13332	100.0
212.13644	8.6
225.11333	2.7
227.12782	17.4
235.08067	4.0
253.09291	3.3
305.08951	2.9
379.12473	8.7
397.13434	35.8
398.14008	4.3
415.14462	7.8
430.88474	2.3
591.26642	8.2
607.25989	4.0
609.27509	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	877.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.8
63.85871	0.5
64.49349	0.5
69.03311	4.5
69.14111	4.8
69.14536	1.8
70.16579	0.6
71.01253	14.1
71.04868	0.9
72.99163	1.8
73.02803	1.9
75.00735	2.3
81.03333	1.0
83.01244	2.2
83.04901	0.7
85.02835	3.7
85.45506	0.6
87.00758	3.9
87.01188	0.7
89.02316	10.3
95.01273	1.2
97.02826	2.3
99.00747	1.0
101.02321	9.9
113.02361	3.7
115.00245	3.3
116.92754	1.5
118.92486	0.5
119.03378	2.2
121.02802	1.1
123.04398	0.8
123.07985	0.9
125.02317	2.4
125.09602	1.6
141.01822	0.8
143.03389	1.0
150.83267	0.6
151.11162	2.8
153.12714	0.6
161.04425	0.9
161.09605	3.1
167.07054	0.9
171.10127	1.9
175.02382	5.8
179.10695	5.1
192.56319	0.6
195.13670	0.6
197.11765	32.3
198.12093	2.1
203.45177	0.5
209.11710	1.4
221.06635	1.0
223.09694	1.3
241.10762	2.3
253.09415	0.9
255.23262	47.6
256.23651	3.9
269.24680	0.6
297.11252	1.0
337.80600	0.7
371.15939	0.6
390.03873	0.7
396.34933	0.6
397.13412	3.6
415.20389	0.6
436.07889	0.5
477.24469	0.6
639.65369	0.7
642.20679	0.7
728.52734	0.7
759.45087	2.5
877.47968	100.0
878.48279	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	7.1
69.03314	3.7
71.01254	17.8
72.99172	2.5
73.02814	3.0
81.03330	1.7
83.01247	3.1
85.02806	4.2
87.00748	5.1
88.98666	3.0
89.02320	17.8
95.01270	1.4
96.95921	1.5
97.02823	3.8
99.00766	1.4
101.02317	12.3
108.49210	0.8
113.02313	7.8
116.92740	5.6
117.01785	1.5
117.92776	1.5
118.92587	1.0
119.03397	3.9
125.02328	8.1
130.44797	0.9
130.55782	0.9
143.03363	2.6
161.02411	0.9
161.04399	3.0
167.10649	4.0
169.01369	4.2
179.05540	4.6
179.10704	2.2
179.14391	1.8
183.13826	7.0
193.12297	2.0
195.13821	8.2
201.11230	1.2
205.12299	8.8
209.11743	1.5
211.13341	100.0
212.13669	7.0
221.06535	1.2
223.13354	79.2
224.13692	4.8
233.46310	0.9
235.08177	4.1
253.09116	1.1
287.07751	1.1
293.21216	1.1
305.08734	1.8
323.09714	1.7
379.12567	6.3
397.13495	39.8
398.13730	2.6
415.14551	7.7
591.26691	6.4
592.26886	1.4
603.26514	12.2
604.27301	1.4
609.27618	9.1
610.27747	1.9
621.27606	12.6
622.27521	1.7
752.09894	1.1
759.15717	1.0
797.39594	5.6
815.41010	4.4
816.41522	1.1
877.85919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	2.1
62.32793	0.9
69.03324	1.6
71.01247	16.1
71.49242	1.4
72.99162	0.9
73.02805	1.4
82.25372	0.8
83.01225	1.2
83.04899	1.1
85.02811	3.9
87.00750	1.8
89.02313	13.0
95.01223	1.1
97.02825	2.2
97.06450	3.3
99.00740	0.8
101.02316	10.4
104.69789	0.8
112.96857	0.8
113.02344	4.4
116.92738	2.4
117.80247	0.9
119.03384	1.8
125.02340	3.3
151.11168	11.1
161.04482	1.8
169.12247	69.8
170.12589	2.9
179.05501	1.8
195.10159	1.2
211.13344	1.8
212.45680	1.1
213.11279	10.9
221.06583	4.1
223.51135	0.8
277.21686	20.1
278.21872	1.3
397.13257	5.0
585.48175	1.2
593.24457	2.2
611.25360	3.5
871.46912	100.0
872.47253	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	869.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	4.5
69.03326	2.5
71.01250	7.9
71.48931	1.3
73.02804	1.1
75.00743	1.3
78.26282	0.8
78.95789	1.1
79.05101	0.7
83.01225	0.7
83.04905	2.1
84.02033	4.3
85.02823	2.2
87.00738	1.2
87.90579	0.7
89.02331	4.9
89.02824	0.7
96.02248	0.7
96.31045	0.7
96.95891	16.6
96.96841	1.3
97.02836	1.9
97.06452	6.7
99.00745	0.8
99.04395	1.3
101.02313	7.1
102.05492	1.3
111.08035	10.3
113.02328	2.6
116.92728	5.0
117.92850	0.8
119.03364	1.7
125.02316	1.5
125.09600	1.7
127.07545	1.4
128.03461	1.9
143.03375	1.0
145.06039	1.5
146.04469	3.2
151.11203	1.6
161.04411	2.1
169.01305	1.8
169.12253	5.0
171.10184	16.8
179.05533	2.0
181.12283	1.6
183.13852	1.9
193.12257	8.7
197.11761	51.6
198.12062	2.1
199.13313	2.7
209.11789	2.1
210.12054	0.8
211.13316	11.6
221.11633	1.2
225.14920	13.0
226.15247	0.9
227.12717	1.4
235.08151	4.2
243.16043	5.6
253.09261	31.1
253.11923	1.7
254.09590	1.7
263.20026	3.8
265.18085	1.1
273.18494	1.1
291.19638	17.7
292.19922	1.7
296.45413	0.9
309.20697	81.0
310.21100	6.1
323.22089	1.2
327.21823	0.9
341.23300	100.0
342.23663	8.8
457.61304	0.8
545.29413	3.3
577.32251	4.0
578.32556	0.9
633.43610	5.1
730.77301	0.9
869.51001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	4.5
69.03326	2.5
71.01250	7.9
71.48931	1.3
73.02804	1.1
75.00743	1.3
78.26282	0.8
78.95789	1.1
79.05101	0.7
83.01225	0.7
83.04905	2.1
84.02033	4.3
85.02823	2.2
87.00738	1.2
87.90579	0.7
89.02331	4.9
89.02824	0.7
96.02248	0.7
96.31045	0.7
96.95891	16.6
96.96841	1.3
97.02836	1.9
97.06452	6.7
99.00745	0.8
99.04395	1.3
101.02313	7.1
102.05492	1.3
111.08035	10.3
113.02328	2.6
116.92728	5.0
117.92850	0.8
119.03364	1.7
125.02316	1.5
125.09600	1.7
127.07545	1.4
128.03461	1.9
143.03375	1.0
145.06039	1.5
146.04469	3.2
151.11203	1.6
161.04411	2.1
169.01305	1.8
169.12253	5.0
171.10184	16.8
179.05533	2.0
181.12283	1.6
183.13852	1.9
193.12257	8.7
197.11761	51.6
198.12062	2.1
199.13313	2.7
209.11789	2.1
210.12054	0.8
211.13316	11.6
221.11633	1.2
225.14920	13.0
226.15247	0.9
227.12717	1.4
235.08151	4.2
243.16043	5.6
253.09261	31.1
253.11923	1.7
254.09590	1.7
263.20026	3.8
265.18085	1.1
273.18494	1.1
291.19638	17.7
292.19922	1.7
296.45413	0.9
309.20697	81.0
310.21100	6.1
323.22089	1.2
327.21823	0.9
341.23300	100.0
342.23663	8.8
457.61304	0.8
545.29413	3.3
577.32251	4.0
578.32556	0.9
633.43610	5.1
730.77301	0.9
869.51001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	1.9
62.74446	0.3
68.18406	0.3
69.03336	1.7
70.40028	0.8
71.01254	16.5
72.99195	1.7
73.02824	2.1
75.00734	0.5
79.95575	0.4
80.96381	0.5
81.03325	0.7
83.01250	1.7
83.04889	0.4
85.02821	3.8
87.00747	3.8
89.01758	0.7
89.02318	14.4
95.01250	1.5
97.02815	2.4
99.00755	1.0
101.02322	12.0
103.03922	0.3
109.02798	0.4
111.00716	0.5
111.04388	0.4
113.02340	6.7
113.34992	0.3
115.03920	0.3
119.03383	4.9
125.02339	5.2
131.03401	1.0
133.04959	0.4
139.03906	0.8
143.03392	2.6
149.04433	0.5
155.10657	0.6
161.04465	3.7
167.03410	0.4
167.14340	0.7
179.05518	4.1
183.13832	6.7
184.14264	0.6
193.12270	2.1
199.06131	0.3
211.13338	100.0
212.13704	5.5
217.07077	0.5
218.59227	0.3
221.06592	1.1
233.22615	0.3
235.08163	4.7
245.06693	0.4
253.09238	0.5
253.14578	0.3
259.08218	0.5
263.07678	0.4
277.21719	47.4
278.22043	3.9
280.72870	0.3
287.07861	1.5
287.64084	0.3
303.13104	0.3
305.08716	1.9
323.09799	1.1
379.12451	7.2
380.12650	0.5
397.13489	34.7
398.13751	2.3
415.14587	8.0
415.19962	0.7
416.15115	0.6
465.92035	0.4
591.26636	3.2
592.26465	0.4
609.27631	2.7
610.28418	0.4
657.35095	0.4
675.36139	0.7
751.85284	0.3
864.83667	0.3
876.19116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	1.0
66.66080	0.6
69.03320	0.5
71.01254	8.5
72.99151	1.0
73.02841	0.8
74.02337	1.3
75.00726	1.5
75.27081	0.5
80.02554	1.1
81.03324	1.9
83.01270	0.8
83.04900	4.7
85.02827	2.6
86.02316	0.9
87.00742	2.0
89.02320	9.0
90.70348	0.5
95.01264	0.9
95.04893	1.1
95.49880	0.6
96.95921	3.0
97.02834	1.5
99.05505	0.8
101.02325	6.1
111.04400	0.7
113.02338	3.7
119.03410	2.5
121.02784	0.7
125.02344	5.0
128.02640	0.5
128.03433	3.2
129.01822	4.7
130.02159	0.7
135.02831	1.3
137.02353	0.7
139.03909	0.6
143.03510	0.7
143.04478	2.9
150.03062	0.7
150.19704	0.5
160.00673	0.8
161.04459	1.8
163.11180	3.6
165.01839	0.7
165.12762	1.9
167.03409	0.8
169.01347	1.5
170.01730	0.6
171.10207	1.2
175.02440	0.8
179.05640	2.6
181.12186	0.6
191.10664	1.0
209.11768	100.0
210.08858	1.1
210.12132	7.0
211.13353	1.8
221.06659	0.8
225.11067	0.7
227.12846	17.5
228.13188	1.3
235.08153	2.8
253.09184	0.7
254.07968	0.7
255.03207	0.6
259.15579	1.1
272.08850	1.8
287.07877	0.6
306.07654	7.1
307.07916	2.1
309.14880	0.9
379.12518	3.7
397.13486	22.3
398.13889	2.3
407.11752	1.0
415.14691	5.5
589.25043	0.9
607.25916	1.9
681.44214	0.6
779.55530	0.5
787.62561	0.6
817.39142	0.8
835.39264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
71.01249	1.1
79.95619	0.3
80.96411	0.5
87.00750	0.6
96.95903	0.7
98.20570	0.4
101.02364	0.2
115.00264	0.5
125.02375	0.4
169.01358	0.5
172.69637	0.2
175.02412	1.1
191.05576	0.5
197.11868	0.4
209.11797	0.4
210.12297	0.2
211.13417	0.7
212.13699	0.2
226.92230	0.2
315.19684	0.2
868.43243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	1.1
64.46893	0.2
64.98212	0.3
66.16946	0.2
66.62666	0.2
69.03313	1.6
69.20522	2.6
71.01254	17.8
72.00438	0.2
72.01582	0.3
72.99179	1.4
73.02818	3.5
75.00753	0.4
81.03329	1.0
83.01247	2.1
83.04862	0.4
85.02826	4.7
87.00744	4.5
87.04401	0.3
89.02317	16.9
91.03915	0.3
95.01251	1.6
97.02831	2.9
97.06434	0.3
98.20543	0.4
99.00755	1.1
99.04412	0.3
101.02322	14.4
111.04411	0.6
113.02327	8.4
113.03078	0.5
115.03882	0.4
119.03391	4.7
121.02848	0.5
124.01521	0.5
125.02331	6.4
131.03381	0.8
133.01263	0.2
133.04982	0.6
139.03860	0.3
141.01822	0.4
143.03400	2.5
156.22162	0.2
161.04471	3.3
167.03442	0.4
167.10742	0.3
167.14293	0.4
171.10193	0.3
179.05540	4.8
183.13834	7.6
191.14272	0.3
193.12274	2.3
199.06004	0.5
203.05728	0.3
209.11826	0.3
211.13335	100.0
212.13689	5.4
217.07126	1.0
221.06615	1.5
235.08188	5.3
249.92157	0.3
253.09261	0.8
259.08276	0.5
263.07715	0.6
277.21719	59.2
278.22064	4.0
287.07733	1.8
291.23212	0.3
301.09207	0.4
305.08774	1.9
319.22809	0.4
323.09912	1.0
361.11096	0.3
379.12448	8.0
380.12589	0.6
397.13477	39.9
398.13751	3.1
415.14569	9.3
415.19995	0.6
416.14777	0.8
591.26575	2.4
592.26794	0.3
608.11267	0.3
609.27570	2.2
657.35040	0.3
675.35840	1.3
869.47485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	8.2
71.49911	0.7
72.99180	1.0
73.02809	0.9
75.00744	1.1
80.02523	1.0
81.03337	0.9
83.01260	0.8
83.04886	4.9
84.02002	0.9
85.02828	2.2
87.00739	2.8
89.02307	8.2
95.04932	0.6
96.95882	21.6
97.02798	1.3
98.95456	0.7
101.02324	6.7
113.02289	3.3
119.03381	2.2
125.02309	4.1
125.09670	0.5
128.03358	0.6
129.01796	1.5
135.02866	1.0
135.08031	0.9
137.64546	0.5
143.03391	0.7
143.04527	0.8
161.04459	1.9
163.11198	4.1
163.59683	0.5
165.12711	2.4
169.01326	1.6
171.10193	0.9
177.01717	0.6
179.05522	2.0
181.12137	0.9
191.10692	1.1
199.13388	0.6
201.11523	0.5
209.11755	100.0
210.12103	6.1
221.06546	0.7
227.12842	17.4
228.13152	0.6
235.08183	2.2
240.07938	0.6
251.12816	0.8
259.08099	0.6
259.15601	1.0
274.80652	0.5
287.07718	0.8
293.00323	0.5
293.12091	0.6
294.12503	2.6
305.08694	0.9
306.07635	1.1
309.14941	4.5
310.15411	0.9
327.16037	0.9
379.12466	3.6
397.13470	22.2
398.13721	1.2
407.11658	14.9
408.11862	2.7
409.11755	1.0
415.14667	5.0
589.25293	1.2
607.25940	2.3
742.93701	0.5
799.37183	0.7
882.98505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98409	0.2
71.01255	1.1
71.03159	0.1
72.99162	0.1
80.96426	0.2
85.02845	0.2
87.00749	0.2
89.02300	0.5
96.95899	0.2
97.02867	0.2
101.02330	0.3
104.32738	0.1
109.02966	0.1
109.06505	0.1
113.02345	0.1
125.02351	0.3
143.03349	0.1
169.01393	0.2
171.10194	0.2
183.13855	0.2
207.10315	0.4
209.11829	0.3
211.13338	1.7
212.13693	0.5
225.11368	0.5
235.08240	0.1
273.17035	1.0
274.17438	0.5
379.12469	0.1
397.13275	0.5
398.13977	0.2
415.14697	0.2
476.89917	0.1
817.39697	0.2
835.40796	0.1
867.42773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	10.2
69.03325	1.2
71.01254	21.1
72.99161	1.4
73.02813	3.3
74.62179	0.6
75.00750	1.1
76.33146	0.7
80.02566	1.1
81.03322	2.1
83.01265	2.3
83.04881	6.1
84.02020	0.8
85.02824	5.4
87.00727	4.0
89.02316	19.9
95.01255	1.2
95.04871	1.2
97.02816	2.3
99.00760	1.1
101.02321	15.1
111.08027	1.4
113.02329	7.6
119.03374	4.2
125.02347	5.0
129.01794	0.8
135.08046	0.7
143.03372	2.1
161.04434	1.9
163.11182	3.5
165.12775	9.7
169.01286	1.1
175.02206	0.7
179.05507	2.3
183.13826	67.6
184.14180	2.5
191.05492	1.3
191.10625	1.6
209.11765	60.2
210.12122	3.8
211.13342	1.5
221.06548	3.2
227.12845	10.2
228.13107	1.0
235.08186	2.3
243.15860	0.6
374.92102	0.7
397.13489	7.0
415.14545	2.0
528.46814	0.7
607.25348	1.2
622.55133	0.8
625.27063	1.4
817.37976	1.5
835.39648	100.0
836.39978	26.8
867.42346	12.0
868.42590	3.9
903.43451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98400	0.1
71.01270	0.2
72.99194	0.1
77.65791	0.1
80.96389	0.2
88.98689	0.1
89.02344	0.1
96.95916	0.5
104.30241	0.1
119.04038	0.1
125.02330	0.2
169.01331	0.2
184.47295	0.1
209.11813	0.1
211.13332	1.5
211.15131	0.1
212.13678	0.8
213.13991	0.4
214.92039	0.1
225.00623	0.1
262.04105	0.1
397.13736	0.2
398.14096	0.2
399.14261	0.2
487.19818	0.1
611.28894	0.1
612.29321	0.1
627.27631	0.1
867.43903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98396	0.2
71.01257	0.4
73.82581	0.1
79.95615	0.2
80.96384	0.3
88.98679	0.2
94.98006	0.1
96.95916	0.3
101.62086	0.2
125.02373	0.4
169.01332	0.3
211.13316	0.8
212.13716	0.3
397.13458	0.2
399.13757	0.2
419.30835	0.2
420.67755	0.2
861.56494	0.2
867.44263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	0.4
69.03333	1.0
71.01253	15.8
72.99184	1.5
73.02836	2.8
75.00749	0.6
78.02278	0.3
80.96406	0.6
81.03326	0.8
83.01255	2.1
85.02821	3.8
87.00751	2.6
89.02319	12.6
95.01282	1.0
97.02827	2.2
98.19797	0.9
99.00761	0.9
101.02322	11.3
111.04428	0.8
111.08031	1.0
113.02334	5.4
119.03387	2.5
125.02354	3.5
133.04999	0.5
134.26370	0.3
141.01897	0.4
143.03360	1.5
161.04471	1.5
163.11137	0.4
165.12772	4.6
172.32083	0.4
179.05515	1.5
183.13834	37.3
184.14091	1.9
185.04448	0.4
195.71362	0.3
203.83737	0.4
207.10376	0.5
209.11754	2.2
221.06564	1.9
227.12822	3.1
235.08162	1.4
245.46887	0.4
255.23268	54.3
256.23645	3.9
269.08167	0.8
290.25357	0.4
297.11414	0.8
379.12518	1.8
396.34631	0.4
397.13495	9.2
398.13992	0.7
415.14511	1.7
479.13916	0.4
607.26318	0.8
625.27222	0.9
639.92010	0.4
845.49542	0.8
863.50073	100.0
864.50397	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	0.9
69.30126	2.4
71.01252	15.4
72.99173	1.4
73.02818	2.7
75.00746	0.3
80.02529	1.3
81.03323	1.6
83.01251	2.0
83.04896	4.8
84.02042	0.6
84.05251	0.3
84.37877	0.2
85.02827	3.8
87.00744	4.6
89.02312	13.7
90.02627	0.5
95.01266	1.0
95.04861	0.7
95.05452	0.2
97.02829	2.8
98.20536	0.4
99.00745	1.1
99.04342	0.3
101.02321	12.0
109.02831	0.5
111.04421	0.4
112.01472	0.3
113.02327	7.5
119.03401	3.5
121.02823	0.6
121.33968	0.2
124.01514	0.3
125.02328	6.7
125.03252	0.4
125.06004	0.4
126.02641	0.3
131.03378	0.9
133.04959	0.3
135.08063	0.6
139.03896	0.6
141.35474	0.3
143.03398	2.6
145.04958	0.4
149.04430	0.3
153.05505	0.3
161.04462	3.5
163.11180	3.7
165.12755	2.3
167.03410	0.7
171.02824	0.3
179.05534	3.8
181.12256	0.6
191.10713	1.2
196.37869	0.3
199.06027	0.6
209.11769	100.0
210.12114	5.4
217.07086	0.8
221.06642	0.8
227.12845	12.7
228.13170	0.7
235.08186	4.7
245.06657	0.4
251.12811	0.5
253.09343	0.8
255.23267	53.5
256.23593	4.4
259.08282	0.6
263.07855	0.5
269.24792	0.4
277.09351	0.4
287.07709	2.0
297.24326	0.3
305.08774	1.8
323.09821	1.2
379.12469	8.7
380.12570	0.3
397.13477	39.8
398.13815	3.3
415.14548	9.4
416.14899	0.4
476.55084	0.3
589.25482	0.5
607.25995	0.6
635.36530	0.8
653.37872	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	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88369	0.2
68.99688	0.2
69.03316	0.7
71.01249	13.5
72.99174	0.9
73.02821	2.0
75.00728	0.4
80.02541	1.2
81.03331	1.9
83.01253	1.5
83.04891	4.3
84.02051	0.8
85.02816	3.1
85.99891	0.2
87.00748	3.6
89.02313	11.6
93.03308	0.3
95.01260	1.2
95.04904	0.6
96.23630	0.2
97.02832	2.2
97.77383	0.2
99.00760	0.7
101.02320	9.8
107.04937	0.2
109.02862	0.3
109.06462	0.3
111.04407	0.4
113.02329	6.0
119.03380	2.7
121.02849	0.3
125.01451	0.4
125.02332	5.4
125.05979	0.4
131.03410	0.4
133.04962	0.4
135.08052	0.6
138.27560	0.2
139.03944	0.6
139.07600	0.2
141.01770	0.5
143.03395	1.8
145.04912	0.4
149.04500	0.2
161.04468	3.1
163.11188	3.6
164.11464	0.2
165.12767	2.4
167.03377	0.4
179.03365	0.2
179.03816	0.2
179.05518	3.9
181.12233	0.5
185.04439	0.3
191.10786	0.9
199.06009	0.4
209.11760	100.0
210.12088	5.2
217.07018	0.4
221.06543	1.6
223.13383	0.2
227.12834	11.6
228.13234	0.5
233.11884	0.2
235.08183	4.2
245.06593	0.2
251.12845	0.6
253.09274	0.5
255.23257	41.3
256.23578	2.8
259.08112	0.4
263.07660	0.5
269.08313	0.3
269.24728	0.5
277.09393	0.2
283.09866	0.4
287.07709	1.7
297.11282	0.3
305.08755	1.9
323.09760	1.0
341.10825	0.3
361.11371	0.3
379.07492	0.3
379.12421	7.0
380.12799	0.5
397.13467	29.4
398.13913	1.8
406.68503	0.2
415.14526	6.9
416.14737	0.5
427.20251	0.2
565.18512	0.3
589.25250	0.8
590.25226	0.2
607.26385	1.3
608.26416	0.3
635.36639	0.4
653.37524	0.8
863.50488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25969	0.2
65.12032	0.2
69.03313	0.9
71.01250	16.7
72.01571	0.3
72.99174	1.6
73.02817	2.2
75.00745	0.3
80.02546	1.5
81.03310	1.8
83.00838	0.3
83.01244	1.8
83.04890	4.3
83.35799	0.2
84.02013	0.8
85.02345	0.5
85.02820	4.3
87.00741	3.9
89.02311	14.6
93.03306	0.5
95.01250	1.4
95.04891	0.9
95.17155	0.2
97.02814	2.8
98.20660	0.6
99.00760	1.0
101.02316	13.2
102.02677	0.5
109.02811	0.4
109.06467	0.3
111.00749	0.3
111.04404	0.6
111.08033	0.4
113.02323	6.1
115.03857	0.4
115.87357	0.3
116.92722	0.4
119.02585	0.4
119.03388	3.7
124.01569	0.2
125.01457	0.4
125.02328	5.9
125.05932	0.3
131.03398	0.9
133.04961	0.3
135.08028	0.6
139.03882	0.6
141.01778	0.3
143.03407	2.3
149.02353	0.3
149.04430	0.3
161.04443	3.1
163.11185	4.1
165.12770	2.0
167.03456	0.3
173.09537	0.3
179.05536	4.0
181.12248	0.5
191.10669	0.8
199.06023	0.4
199.13261	0.5
209.11755	100.0
210.12082	5.8
217.07080	1.0
221.06589	1.4
227.12827	12.4
228.13170	0.8
235.08163	5.5
245.06538	0.3
253.09271	1.0
254.09666	0.3
255.23253	53.9
256.23596	4.2
259.07971	0.4
263.07645	0.6
269.24854	0.7
287.07730	1.7
305.08835	1.9
323.09787	1.1
379.12430	7.2
380.12610	0.7
397.13455	38.9
398.13803	3.1
415.09003	0.5
415.14529	8.0
416.14792	0.7
453.71277	0.3
532.69769	0.3
579.72937	0.3
589.24976	0.6
607.26086	1.1
635.36053	0.5
653.37384	1.1
863.49371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	4.8
69.03303	1.3
71.01253	22.5
71.40370	1.4
72.67435	0.9
72.99171	2.0
73.02821	4.2
80.96400	2.4
81.03323	0.9
83.01239	2.4
83.04905	1.2
83.20363	0.8
85.02823	4.3
87.00751	4.9
89.02312	17.6
97.02787	4.1
101.02322	15.7
106.92357	0.8
109.06474	1.2
113.02319	8.2
116.92736	4.4
119.03355	3.3
119.71340	0.9
125.02317	5.6
128.13884	0.7
139.03874	0.9
143.03421	2.0
146.09906	0.8
156.02562	0.8
161.04462	3.6
163.11113	1.0
165.12726	6.2
173.84712	0.9
179.05614	3.9
183.13823	51.6
184.14139	2.5
196.50529	0.8
199.13321	4.2
207.10126	2.3
208.10568	1.0
209.11784	16.9
210.12161	1.7
221.06563	2.5
225.11337	1.4
227.10773	1.4
227.12836	19.4
235.08125	4.0
238.55479	0.8
253.08951	1.0
255.23265	46.6
256.23532	4.6
269.08170	1.4
286.98697	0.9
297.11401	1.0
300.73923	0.8
340.38281	0.9
379.12561	3.9
397.13480	20.5
398.13834	2.2
415.14417	6.4
607.25891	3.3
623.47491	1.0
625.26886	3.4
863.50037	100.0
864.33813	1.2
864.50354	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99162	1.0
61.98699	15.1
66.08140	0.4
69.03317	1.4
70.06194	0.4
71.01251	10.5
72.99187	1.3
73.02813	1.2
75.00745	2.4
81.03363	0.4
83.01233	1.3
85.02831	2.4
85.51205	0.4
85.79576	0.4
87.00751	2.5
88.98671	6.1
89.02314	8.8
95.01245	0.5
96.95900	0.3
97.02815	0.9
99.00748	0.8
99.70406	0.3
101.02318	6.8
110.74841	0.3
113.01632	0.5
113.02334	4.5
119.03374	2.1
125.02321	4.1
131.03378	0.7
143.03404	1.5
157.42728	0.3
161.04419	1.9
167.14326	0.8
169.01299	1.2
171.10211	0.6
179.05499	2.3
183.13858	6.7
184.14224	0.5
193.12250	2.4
211.13332	100.0
212.13661	6.8
215.11473	0.3
217.07085	0.5
221.06599	0.7
235.08156	2.2
253.09303	0.6
259.08038	0.4
287.07837	1.1
323.09659	0.8
325.63297	0.4
379.12439	4.4
397.13480	20.3
398.13995	1.7
415.14526	4.2
591.26660	6.7
592.26611	0.7
609.27466	8.4
610.27808	1.1
727.40131	0.4
773.01270	0.4
785.39191	2.3
803.40497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.428
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99173	0.4
61.98704	2.4
68.29332	0.2
69.03315	0.9
70.00836	0.2
71.01254	9.1
71.20071	0.5
72.99171	0.9
73.02824	1.4
75.00748	0.6
81.03333	0.4
83.01257	1.1
83.04881	0.4
85.02821	2.1
87.00750	2.0
87.98090	0.2
88.98682	2.1
89.02318	7.8
89.80148	0.2
95.01266	0.8
97.02795	1.2
99.00755	0.5
101.02322	6.4
113.02331	3.7
119.03391	2.0
125.02332	3.4
131.03366	0.4
133.04973	0.3
139.03862	0.3
143.03397	1.1
147.54430	0.2
155.10722	0.3
161.04442	1.8
165.12718	0.5
167.10703	0.6
167.14333	0.7
171.10141	0.5
174.56731	0.2
177.92654	0.2
179.05530	2.2
183.13831	7.5
184.14226	0.4
193.12325	1.4
197.11789	0.4
211.13335	100.0
212.13667	5.5
212.50375	0.2
217.07120	0.5
221.06635	0.9
235.08214	2.2
239.16670	0.2
253.09236	0.4
259.08130	0.3
263.07809	0.3
287.07773	0.8
305.08701	0.8
309.20807	0.2
323.09894	0.9
379.07642	0.3
379.12360	4.9
380.12708	0.3
397.13486	20.2
398.13876	1.7
415.14572	4.4
415.19934	0.3
499.21814	0.3
591.26550	8.5
592.26947	1.3
609.17651	0.5
609.27570	10.1
610.27515	1.4
654.94989	0.2
738.35352	0.2
785.39581	1.6
786.40216	0.6
803.40686	1.3
804.41309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98674	3.3
65.00203	3.2
68.99697	2.3
78.98418	1.2
79.01758	8.0
79.95583	3.0
80.96371	7.6
83.01244	5.7
85.06442	3.6
87.04381	1.2
89.97391	1.5
94.97964	2.4
97.02869	2.8
98.20572	3.8
99.08029	3.0
101.02395	1.4
109.02809	2.1
118.24272	1.1
121.02815	5.2
121.06470	3.9
135.04416	4.0
141.32709	1.4
145.06438	2.8
149.05930	4.8
150.03094	2.7
153.05504	6.2
165.01820	6.8
165.05443	8.1
167.07028	12.0
169.06473	1.5
171.04445	15.9
173.09625	3.4
178.02641	1.8
179.03397	4.6
183.08072	3.4
193.04976	6.7
195.06541	5.7
207.06516	7.3
209.08133	4.0
209.11655	2.3
211.11066	1.6
225.00639	2.2
225.09138	2.0
227.07166	6.7
227.12781	1.4
239.10641	4.3
241.08636	1.9
253.12262	11.5
254.12489	1.8
255.23227	1.8
262.50095	1.3
269.08160	97.8
270.08435	7.2
283.09735	57.9
284.10077	4.8
295.09708	27.8
296.10052	1.6
297.11310	100.0
298.11545	6.9
387.15945	1.3
397.13464	1.4
436.79822	1.4
446.67227	1.3
565.18237	13.9
566.19434	2.2
581.21967	6.6
593.21643	3.5
627.40417	1.6
697.01862	1.3
863.31091	3.1
863.48126	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	859.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01747	0.8
81.03331	1.4
83.01255	2.4
93.03350	1.5
95.04906	1.8
97.02846	1.0
98.20583	1.6
105.03344	2.4
107.01261	0.7
107.04903	1.0
109.02840	3.6
119.04895	1.0
121.02832	2.8
123.00766	2.1
124.01556	1.7
125.02332	100.0
126.02688	3.1
131.04919	1.2
133.02831	2.1
135.04366	0.8
135.08047	2.2
137.02341	11.0
137.05971	0.7
138.03069	0.7
139.03847	3.9
149.02354	3.9
149.05954	0.9
151.03903	6.9
159.04425	0.8
160.01584	0.8
161.02357	13.9
162.02960	0.8
163.00269	1.4
163.03940	0.9
164.00999	1.8
165.01839	5.8
166.02559	1.1
167.03404	5.7
169.01324	10.1
175.00288	1.4
175.03932	7.3
176.01041	1.5
177.01840	37.5
177.05516	2.4
178.02312	1.5
178.70946	0.6
179.03389	2.9
179.07030	8.0
187.03966	1.8
189.01863	1.7
190.02574	0.9
191.03476	1.6
191.07153	0.7
193.01332	2.7
193.03072	0.6
193.04982	1.5
199.03963	2.1
201.01761	1.4
201.05501	3.0
203.03430	2.6
204.04335	0.7
215.03378	1.4
217.01492	0.9
217.05023	4.5
219.03014	2.4
219.06473	4.6
220.07027	0.7
221.04527	0.9
223.07628	1.1
223.09711	15.7
227.03435	2.3
229.01401	3.1
229.04941	1.7
229.08649	2.5
229.57057	0.8
231.06514	4.6
241.04950	1.2
243.03011	3.8
243.06482	1.3
245.04498	1.7
255.02977	3.0
257.04453	1.1
261.03976	2.1
261.07547	3.6
269.04504	5.5
270.04919	0.8
273.04202	0.9
275.09222	2.6
283.02560	1.7
285.04004	2.1
285.11411	0.7
287.05563	7.7
288.06015	1.1
291.12500	1.7
297.03931	1.7
297.07703	2.6
301.03461	1.0
303.05118	1.4
305.06662	14.8
306.07111	1.1
309.07538	1.2
313.03574	1.2
319.04651	1.3
331.04471	1.1
337.07132	1.2
341.10400	3.6
353.10300	1.9
355.08096	1.0
359.11398	2.7
371.11514	1.8
399.10956	4.3
400.11133	0.8
401.12381	10.6
402.12643	1.3
423.07196	6.4
424.07446	0.9
457.07825	2.7
465.07867	3.1
477.11865	2.1
483.09299	2.5
503.13452	3.7
521.14478	29.4
522.14783	4.0
537.13995	1.3
539.15533	7.3
540.15729	1.1
551.15289	1.3
591.11829	0.9
593.09326	0.8
635.09241	0.9
671.17047	0.8
673.15723	1.4
689.18756	6.2
690.19165	1.3
691.16565	2.8
692.16309	1.0
707.19727	8.8
708.20239	2.5
859.20862	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	857.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	15.8
69.03326	1.2
71.01248	12.8
71.48782	1.4
71.49248	1.5
72.99164	1.6
75.00737	1.5
78.13087	1.6
83.01231	1.2
83.04925	1.3
85.02804	2.0
87.00787	1.1
89.02309	6.8
96.95885	1.4
97.02820	2.6
99.00690	1.4
101.02313	4.4
113.02318	3.9
116.92725	4.1
119.03356	1.6
121.02857	1.7
125.02338	7.9
127.07516	1.4
151.11098	1.7
165.12723	4.1
169.01331	4.0
171.10167	2.3
179.05609	1.4
181.12262	6.5
183.13814	18.2
185.11745	2.2
201.08780	1.3
203.10464	8.3
207.10367	1.2
209.11728	11.2
211.13329	9.6
217.08365	2.2
219.09961	4.8
221.11484	3.6
223.13110	37.4
227.12883	3.7
231.09888	3.7
233.07874	3.2
235.09688	7.1
237.11053	15.3
248.21967	1.3
249.11053	66.9
250.11407	3.6
253.09349	1.2
263.12601	4.4
265.10516	5.1
267.12140	46.5
268.12424	3.5
271.02615	1.5
297.11362	6.8
397.13345	4.6
404.62366	1.2
421.34424	1.3
591.26819	2.0
647.24347	1.4
857.37842	100.0
858.38342	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21352	0.3
63.02269	0.7
65.00192	1.0
69.52070	1.6
69.52486	0.8
77.55615	0.3
79.78612	0.4
79.95622	0.6
83.01249	2.2
98.20655	0.4
107.01274	2.0
109.02833	1.6
121.02851	0.8
123.00804	0.9
124.01518	0.9
125.02335	23.5
126.02654	1.0
137.02344	3.7
139.03854	2.8
147.00768	2.0
151.00266	11.0
152.01057	1.8
153.01834	7.3
155.03403	0.5
159.04398	0.5
161.02213	0.5
163.00366	0.5
165.01831	4.6
167.03404	4.2
169.01295	1.3
175.00281	14.3
177.01830	0.4
178.99768	11.8
179.01324	0.7
180.00043	0.4
181.01294	1.3
185.02379	0.6
185.05856	0.4
187.03941	0.9
191.03389	6.5
193.01349	58.8
194.01711	2.8
205.04921	0.9
213.05511	0.7
215.03461	6.1
229.05069	0.9
233.04501	1.4
239.03398	0.9
246.99208	2.2
257.04559	5.1
283.02502	0.4
291.04807	0.5
301.03534	7.9
302.03882	0.4
317.02899	0.6
319.04562	4.0
399.00241	100.0
400.00549	8.4
400.05518	0.7
781.95612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	4.8
68.29025	0.5
69.03313	3.1
71.01245	7.8
71.48930	1.0
73.02769	1.9
73.03143	0.6
78.95732	1.4
81.03204	0.7
83.01215	2.0
83.04859	1.4
85.02816	10.8
87.00687	2.3
87.01176	0.6
89.02319	5.4
95.01211	0.6
95.04865	0.9
96.95879	15.9
96.96799	1.4
97.02771	2.6
97.06411	2.2
98.95385	0.8
99.00738	0.8
101.02329	6.9
107.01205	0.9
109.06420	1.2
111.07292	0.7
111.08022	9.5
113.02358	3.7
119.03339	1.7
119.08524	0.7
125.02283	1.6
125.09608	1.4
127.07537	1.0
127.11138	1.1
133.04916	0.6
137.09549	2.1
143.03290	0.6
145.02779	1.9
145.04881	1.1
151.00218	2.0
153.12746	1.2
161.04475	3.6
165.12778	0.9
169.01318	1.0
169.12262	5.1
171.10179	28.5
171.11652	1.4
172.10461	1.5
178.99696	1.0
179.05482	1.0
181.12166	1.3
183.13837	4.3
185.11682	0.9
193.12181	1.5
197.11754	57.7
198.12115	3.5
199.03860	1.5
199.13336	4.0
201.11188	2.1
209.11743	2.6
209.15361	1.9
211.13326	17.6
212.13571	1.5
214.02449	0.9
215.03297	0.7
221.11758	2.2
223.13469	0.6
223.16824	1.3
227.03398	1.1
227.12856	1.2
229.14410	6.9
233.15323	0.8
235.08180	10.0
236.08533	0.7
239.12865	1.7
241.01430	2.9
242.02061	1.7
243.02882	1.3
245.00812	1.7
247.20634	1.1
251.16541	3.4
253.09250	39.9
254.09506	2.4
255.02916	1.4
263.20142	2.0
265.18063	1.9
270.01712	3.5
271.02451	12.0
272.02896	1.2
273.18646	1.7
291.19650	21.7
292.19983	1.8
293.21182	0.8
298.01123	0.8
299.01938	18.5
300.02646	4.4
301.03503	1.2
309.20688	100.0
310.21078	9.0
319.45383	0.6
327.21747	97.8
328.22043	9.3
433.20889	1.8
531.11511	0.8
545.29913	6.5
546.30560	1.6
563.30609	6.6
564.31580	1.0
619.42218	4.6
620.43286	0.7
675.13519	9.6
676.14063	3.2
677.14972	1.8
744.09198	0.7
823.18756	0.8
855.51270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.474
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.7
71.01256	17.2
71.49651	0.7
72.99183	2.0
73.02818	2.6
76.01768	0.4
81.03309	1.1
83.01268	1.7
83.04906	0.6
85.02830	3.9
87.00758	4.9
89.02321	12.6
95.01258	1.7
97.02820	3.5
99.00729	1.2
99.04377	0.6
101.02325	13.6
110.92301	0.5
111.04400	0.6
112.86696	0.4
113.02332	6.9
119.03388	3.8
125.02338	6.6
125.32662	0.5
131.03406	1.8
133.04948	0.6
139.04050	0.9
143.03410	2.4
149.04460	0.6
153.12743	1.6
159.10179	0.7
161.04428	2.9
167.03412	0.5
169.12259	5.3
170.91319	0.5
179.05551	3.6
179.10663	0.7
193.22932	0.5
197.11766	100.0
198.12076	4.7
199.06139	0.6
209.11789	1.2
217.07135	0.9
221.06528	0.7
235.08160	5.4
253.09192	1.3
277.21725	53.5
278.22128	4.9
287.07718	1.7
291.19696	1.2
293.21283	1.6
305.08762	2.1
343.24994	0.6
379.12524	7.4
379.17188	1.0
380.12738	0.6
397.13501	37.7
398.14005	3.2
415.14612	8.7
484.33151	0.5
549.95691	0.5
577.25110	2.7
595.25873	2.2
675.36060	0.9
834.02960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	20.4
69.03339	2.2
69.41171	15.3
71.01245	18.8
72.99176	1.8
73.64017	1.6
79.95607	3.6
80.96410	2.3
81.03329	3.4
83.01309	2.0
85.02798	3.6
87.00757	4.6
89.02322	12.1
94.64031	1.7
95.01253	2.9
96.95893	2.6
97.02855	2.1
98.19822	4.1
101.02319	17.2
111.15708	2.0
113.02345	7.6
116.92745	5.1
119.03390	5.6
125.02324	16.8
159.92146	2.0
161.04463	2.3
163.11139	3.6
169.01324	9.2
171.10190	10.8
179.05516	5.8
183.13892	4.7
209.11768	96.2
210.12125	5.9
211.13329	100.0
212.13683	6.8
212.56702	1.9
221.06674	2.6
227.12849	28.2
228.13237	2.5
235.08209	6.8
237.40198	1.8
253.09384	2.1
259.02493	2.4
271.02515	9.4
287.01917	6.0
287.07626	2.7
305.08899	3.9
316.02203	21.1
379.12451	12.2
397.13492	60.6
398.13812	7.7
415.14621	11.7
481.88406	2.6
551.23004	2.2
583.22626	1.9
589.25116	4.6
591.26471	13.1
607.25818	6.5
609.27844	13.8
610.27972	3.0
693.14496	9.5
694.14313	3.0
801.39380	4.3
802.40039	2.7
837.41376	2.8
855.37964	38.0
856.38824	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	855.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	4.2
71.04630	6.5
85.02826	3.5
87.00739	3.9
96.26461	3.1
97.82484	2.5
100.38779	2.8
108.04441	5.0
110.05989	2.8
121.05223	2.8
122.05995	10.9
125.02327	8.3
134.03107	2.8
134.06033	24.5
135.06798	2.9
136.07585	6.6
137.02319	2.9
139.06377	2.9
140.07088	24.4
146.05980	3.4
148.30984	3.3
149.04701	10.1
150.05510	6.5
152.07054	5.4
160.03966	3.5
161.04640	3.2
162.05484	20.2
163.06204	4.8
164.03465	7.5
164.07095	11.2
167.05743	4.3
169.01323	7.0
172.04025	5.5
174.05600	3.2
176.07002	4.1
177.01721	3.3
204.06558	14.1
211.08580	4.1
212.05788	14.6
213.10341	3.7
224.09276	3.1
225.06676	6.0
225.10353	4.1
229.09804	6.4
237.06548	3.1
237.10291	13.3
239.08174	20.9
240.08949	7.7
241.09828	5.0
251.08154	5.7
251.11888	8.4
252.10384	6.5
252.12708	8.0
253.06139	20.9
253.09798	30.7
254.06952	4.4
254.10233	4.0
255.11369	11.5
257.09286	9.1
259.10895	3.6
261.12485	10.1
265.06308	4.7
265.09717	6.2
266.06979	8.6
267.07907	24.0
267.11169	21.1
268.08542	18.0
268.11893	14.2
269.12555	3.8
270.10092	7.4
273.12338	5.1
279.07840	10.4
279.11435	4.7
280.08533	33.9
281.09280	50.8
282.09677	7.2
283.07761	3.1
283.10870	16.9
285.08783	8.4
285.12427	20.4
293.09387	2.9
295.10858	100.0
296.11591	56.8
297.12381	24.1
299.10303	15.5
300.11069	6.6
301.11890	4.9
303.13522	63.1
303.17056	3.2
304.13791	6.9
311.10208	3.9
312.11237	3.6
313.11935	9.9
327.13461	26.6
328.13989	3.2
334.12064	2.9
339.09763	17.7
340.10553	4.8
341.11349	8.2
371.12430	13.1
373.14148	8.3
378.14700	3.6
390.14505	13.2
404.16064	8.9
406.14127	5.7
407.14590	7.2
420.15695	11.4
434.13519	9.5
438.16888	4.2
448.15219	5.6
465.18771	10.0
466.16199	11.4
479.16901	7.5
480.17722	6.1
481.18021	4.0
483.19699	4.8
511.19620	16.0
543.87494	3.1
577.40448	3.3
601.22913	15.8
602.23004	5.4
633.25610	47.5
634.26288	5.9
805.29279	31.2
806.29132	4.8
823.30365	44.3
824.30524	14.0
837.16022	5.7
837.31982	94.9
838.32300	21.5
855.33112	90.6
856.32892	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	853.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49996	0.5
69.03314	0.5
70.62762	1.3
70.63165	1.0
71.01256	9.9
72.99196	1.2
73.02818	1.5
80.02576	0.6
81.03325	1.5
83.01250	1.0
83.04893	5.3
84.02024	0.8
85.02822	2.8
87.00756	1.7
89.02311	8.1
93.03312	0.8
95.01284	1.0
95.04894	0.8
97.02822	1.9
97.06446	0.6
99.00740	1.1
101.02324	6.6
108.66996	0.5
113.02310	4.7
119.03383	1.7
120.49583	0.5
125.02346	6.2
125.05958	0.9
125.09619	2.0
127.11166	2.2
128.03438	1.1
132.02916	0.7
137.02324	0.5
141.01816	0.6
143.03403	1.2
146.04488	0.7
155.10699	1.0
161.02394	0.5
161.04472	1.9
162.16820	0.5
163.11214	4.4
165.12766	1.9
169.01321	2.9
171.10147	1.6
172.10641	0.6
179.05534	3.1
179.91135	0.6
181.04987	0.7
181.12175	0.7
183.10228	0.6
191.05542	1.5
191.10747	1.0
199.09631	0.6
201.11256	37.9
202.11586	1.6
209.11769	100.0
210.12123	7.6
221.06583	1.5
225.11349	1.0
227.12837	16.2
228.13193	1.1
235.08153	3.0
253.09273	0.7
287.07700	1.3
305.08789	1.5
306.07520	1.1
307.07822	0.6
323.09705	1.0
379.12454	3.2
397.13486	25.3
398.13852	2.3
406.28055	0.6
409.27081	0.5
415.14493	7.3
416.15054	0.8
573.76849	0.6
581.24432	0.8
589.24811	1.6
599.25604	1.2
607.26141	3.5
625.26831	0.6
791.37793	0.9
799.37659	1.1
828.51727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19664	1.5
61.98704	16.4
68.99721	1.9
69.03326	2.1
71.01252	65.3
72.01601	1.3
72.99165	3.5
73.02831	3.6
74.02326	1.3
75.00739	2.7
79.41826	1.3
79.95616	1.9
80.96389	4.8
81.03320	2.3
83.01268	4.6
83.04892	5.1
85.02813	5.6
87.00752	7.9
88.98696	1.4
89.02318	19.2
95.01286	1.7
96.86632	1.5
96.95891	3.8
97.02842	4.5
97.06488	2.1
99.00758	3.9
101.02327	19.3
102.93549	1.3
109.06453	2.6
113.02339	9.7
114.93301	4.0
115.00267	2.1
119.03403	5.0
125.02345	14.2
143.03320	1.5
146.04495	1.4
147.02972	2.9
151.11220	13.3
152.11423	1.4
161.04477	2.0
163.11237	4.2
165.12788	1.6
169.01378	7.1
169.12253	60.0
170.12537	4.0
171.10193	24.7
172.10410	1.7
179.05528	3.8
181.12311	1.6
183.13834	7.8
185.11743	3.4
191.05525	2.4
197.11746	1.5
199.09682	4.7
199.13295	3.7
200.13528	1.5
201.11270	13.4
207.10281	7.4
209.11763	53.1
210.12071	5.1
211.13322	43.5
212.13646	3.6
213.11293	9.9
221.06607	5.0
225.11295	8.4
227.12863	5.8
229.24467	1.7
235.08147	3.8
243.12421	1.8
253.01294	1.4
263.07706	1.8
265.07410	1.7
301.51221	1.4
361.67990	1.5
397.13516	22.9
398.13669	2.7
415.14493	6.2
435.03537	1.4
572.35083	1.4
585.69580	1.5
799.37769	4.8
817.38501	5.6
821.38116	100.0
822.38208	19.0
835.39941	3.0
853.39972	26.9
854.40479	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	851.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00959	1.6
59.01246	26.3
61.98701	90.7
69.03326	1.7
70.40334	3.0
71.01250	24.8
72.99173	2.1
73.02811	3.7
80.96387	3.1
81.03336	1.7
83.01260	3.4
83.04900	1.2
85.02824	6.4
87.00748	5.0
89.02309	18.0
95.01268	1.6
97.02830	3.9
97.06428	1.0
99.00748	1.3
101.02324	17.4
111.00768	0.9
111.08038	1.5
113.02334	7.2
115.84544	1.1
119.03392	5.4
125.02328	5.7
143.03374	2.3
161.04424	2.5
163.11090	0.9
165.12773	8.6
171.10121	1.3
179.05545	2.1
183.13831	77.2
184.14169	4.5
193.01822	0.8
193.12236	2.3
207.10378	1.2
209.11829	4.7
211.13332	71.7
212.13728	3.9
221.06636	3.1
227.12846	5.4
235.08217	3.7
379.12445	1.0
397.13501	8.1
398.13669	0.9
415.14511	2.1
609.27954	1.7
625.27075	2.2
731.08997	2.0
819.40167	100.0
820.40594	24.4
820.56012	1.4
851.42657	28.8
852.42926	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	850.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
61.98698	100.0
62.98404	0.2
62.99133	0.1
69.40069	0.3
69.40499	0.3
71.01251	0.6
73.02841	0.1
75.89156	0.1
79.95609	0.2
80.96367	0.2
83.04932	0.1
85.02840	0.1
88.98708	0.1
89.02322	0.1
94.97967	0.1
96.95885	0.2
98.19659	0.1
101.02312	0.1
125.02349	0.1
126.19062	0.1
158.28114	0.1
169.01346	0.1
171.10237	0.3
201.11263	0.2
207.10252	0.1
209.11783	1.0
211.13362	0.1
223.59547	0.1
225.11314	0.3
227.12953	0.1
235.08281	0.1
240.45322	0.1
273.95279	0.1
397.13690	0.2
851.42487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	18.6
61.98713	0.7
69.03316	1.7
69.19577	0.7
70.98286	1.8
71.01249	19.5
71.01627	1.3
72.99174	1.3
73.02818	2.7
76.64183	0.8
83.01272	3.0
85.02831	5.4
87.00767	5.4
89.02311	15.6
95.01263	1.7
97.02807	3.6
101.02315	14.0
109.38144	0.8
111.04333	0.8
113.02316	8.9
119.03389	3.9
125.02330	7.3
143.03406	2.9
161.04466	4.0
167.14380	1.2
179.05519	3.4
183.13829	8.2
193.12425	1.7
211.13326	100.0
212.13734	5.8
214.43065	0.8
217.07094	1.0
221.06633	2.1
235.08195	5.7
255.23250	64.9
256.23657	4.5
259.08081	1.0
287.07825	1.7
298.26639	0.9
305.08676	1.7
379.12411	10.5
397.13458	37.3
398.13654	2.6
415.14566	7.4
591.26691	3.5
592.26343	0.9
609.27710	2.3
653.37469	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	848.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.2
61.98699	100.0
62.98396	0.2
69.03319	0.1
71.01294	0.1
71.49123	0.2
73.02817	0.4
75.00755	0.2
80.96381	0.2
88.98654	0.3
89.02287	0.2
93.03333	1.0
99.00711	0.1
101.02319	0.2
111.04376	0.4
125.02364	0.5
129.01871	0.2
137.02318	0.4
169.01329	0.3
173.04460	1.7
209.11781	0.2
217.00084	0.1
268.31625	0.1
277.42545	0.1
397.13638	0.5
415.14740	0.2
440.21146	0.2
849.40131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.9
61.98692	1.0
69.03312	0.8
71.01252	12.5
72.99173	1.5
73.02816	1.9
77.82957	0.7
78.51708	0.7
81.03294	0.7
83.01241	2.5
85.02809	3.4
87.00736	2.1
89.02318	7.9
95.01270	1.0
97.02811	1.7
97.06483	3.9
101.02316	7.9
110.13049	0.8
113.02327	4.3
115.72688	0.7
116.92698	0.8
119.03391	2.3
124.19762	0.7
125.02332	2.3
139.03854	0.9
151.11192	11.1
153.05513	0.9
161.04489	1.1
169.12254	33.4
170.12613	2.1
179.05490	0.8
180.20444	0.9
211.13277	1.1
213.11270	5.9
221.06590	1.4
224.70041	0.8
235.08118	1.0
255.06650	3.5
255.23262	40.1
256.23596	4.4
269.08264	0.8
283.09689	3.4
295.09845	1.0
297.11322	3.3
344.66040	0.7
397.13306	3.9
415.14435	1.0
419.92896	0.8
551.16956	1.0
554.33752	0.8
593.23730	1.1
620.32013	0.9
849.48486	100.0
850.48645	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	845.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	23.1
60.99155	4.7
61.98692	3.6
68.25037	1.1
69.03294	1.5
69.24349	4.0
69.24773	8.3
71.01256	22.4
72.99168	4.7
73.02813	3.1
75.00734	1.6
75.55351	1.3
77.58144	1.1
77.89340	1.1
83.01247	1.9
83.04930	1.5
85.02815	4.9
86.96005	1.5
87.00751	5.4
88.98674	29.9
89.02312	18.7
97.02821	3.1
99.00708	1.8
101.02333	11.9
109.02788	1.2
113.02336	9.4
119.03379	3.0
125.02337	9.8
135.08047	2.0
137.09644	1.8
159.58476	1.1
161.04419	1.7
167.03351	1.2
169.01346	3.5
171.10181	6.7
179.05525	5.2
209.11751	2.9
211.13342	4.1
221.06570	3.4
239.16473	2.6
293.21198	4.9
315.26813	1.6
325.25378	5.6
343.26358	4.6
351.23236	1.8
359.25876	4.1
369.24396	6.6
387.25388	12.1
388.25760	2.0
397.13593	11.8
405.26395	24.3
406.26764	1.5
472.59250	1.5
475.81503	1.4
501.64008	1.8
633.13031	1.6
635.87140	1.4
767.37915	1.9
771.41235	1.6
785.39624	100.0
786.39838	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00960	0.8
59.01248	12.9
69.84929	0.4
70.80956	0.8
71.01250	16.2
72.99175	1.3
73.02126	0.4
73.02808	1.9
81.03307	1.0
83.01222	2.2
85.02829	3.2
87.00757	4.1
89.02314	11.5
95.01264	1.1
96.78153	0.5
97.02811	2.1
99.00761	1.2
101.02324	11.9
110.86536	0.4
113.02322	6.2
117.03308	1.3
119.03381	3.3
119.04885	1.2
121.02961	0.4
121.57797	0.4
125.02332	6.3
133.04993	0.7
137.59679	0.4
143.03407	2.6
145.02861	4.6
161.04466	3.5
163.03845	0.9
167.03427	0.6
167.14343	0.7
179.05548	3.3
183.13808	6.8
184.14229	0.6
193.12271	1.7
195.95064	0.5
211.13330	100.0
212.13686	6.5
217.07156	1.2
221.06607	1.4
235.08179	5.2
253.09071	0.7
255.23260	51.5
256.23605	4.6
259.08200	0.6
263.07721	0.5
269.24954	0.5
287.07779	1.8
305.08783	2.4
323.09882	1.1
341.11273	0.5
379.12445	10.6
380.12790	1.4
397.13461	38.5
398.13708	3.5
415.14526	7.9
537.76123	0.5
591.26801	3.2
592.27155	0.6
609.27594	3.8
610.27393	0.5
635.36548	1.0
653.37640	1.6
701.46185	0.6
847.50220	2.1
848.50854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	1.6
64.09083	0.2
67.09310	0.2
69.32485	0.7
69.32888	1.2
77.34987	0.2
78.52286	0.2
79.95605	1.8
88.98689	0.5
96.95886	100.0
97.95827	0.5
98.19791	0.5
125.02314	1.5
150.03142	0.3
161.02386	0.4
165.05478	0.4
169.01357	0.8
177.01764	0.5
181.04944	0.3
195.06561	0.5
222.06770	0.4
234.49866	0.2
239.07097	0.4
240.07835	2.0
253.08632	0.6
265.08597	0.3
272.06949	0.9
279.10175	1.8
293.11823	1.0
294.12604	11.2
295.12955	1.2
309.14948	21.8
310.15198	2.4
312.13675	0.9
327.15982	4.3
328.16302	0.5
351.32669	0.2
407.11676	82.1
408.11981	8.4
411.36774	0.2
415.23441	0.2
468.51733	0.2
470.79431	0.2
512.19757	0.2
810.71820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.2
59.33372	0.4
61.35506	0.5
61.98692	0.7
69.03333	1.0
71.01255	7.0
71.49110	0.6
72.99180	0.9
73.02811	1.9
74.64995	0.5
80.96378	0.8
83.01258	0.8
83.04871	0.7
84.02042	7.2
85.02818	1.4
87.00755	1.5
89.02308	3.7
91.03900	0.6
95.01235	0.7
96.95883	0.9
97.02818	2.0
97.06467	3.4
99.00757	0.7
99.04394	2.2
101.02331	5.2
113.02305	2.5
116.92757	0.8
119.03384	1.1
123.92918	0.4
125.09594	0.7
127.11188	0.5
130.31506	0.5
133.05000	0.8
143.03336	0.6
145.04996	0.7
161.04472	2.5
165.12787	0.6
171.10182	14.7
172.10550	0.6
179.05536	1.1
183.13834	4.6
193.12277	5.2
199.13393	0.6
201.14914	0.9
211.13347	3.0
221.11601	0.6
225.14911	8.7
226.15269	0.5
233.15462	0.7
233.22835	0.5
235.08182	10.5
243.15947	3.4
248.73586	0.5
253.09274	18.1
254.09613	0.7
255.23228	0.6
277.21725	100.0
278.22061	9.6
285.52051	0.5
291.19629	1.9
323.22311	3.1
323.25433	0.5
341.23315	79.2
342.23672	7.7
419.29147	0.6
559.31152	0.7
577.32251	1.5
578.31769	0.7
601.45044	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	837.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.7
61.98690	2.8
69.03315	0.9
71.01250	5.1
71.21431	0.4
72.99160	0.3
73.02820	1.0
78.95750	0.4
80.96380	0.5
83.01256	0.5
83.04879	0.6
85.02809	0.9
87.00748	1.0
87.51827	0.2
89.02312	3.1
93.06959	0.4
95.01268	0.7
96.95889	0.9
97.06480	0.7
101.02317	3.9
109.06473	0.6
111.08035	13.0
112.08369	0.3
113.02341	2.1
119.03352	0.7
125.02328	1.0
127.07519	1.2
141.09143	0.5
143.03410	0.5
151.11140	0.7
153.09068	0.7
153.12691	1.2
161.04439	2.1
163.11099	0.3
167.10632	0.4
167.82246	0.2
169.01352	0.6
169.12238	5.9
171.10194	0.3
178.61646	0.2
179.05513	0.6
179.10663	0.8
181.12244	1.8
183.13844	0.8
193.12306	0.6
193.52701	0.3
197.11749	70.5
198.12074	3.0
199.13278	3.9
200.13754	0.3
201.11128	0.2
209.11816	0.5
209.15544	0.3
211.13329	10.5
212.13652	0.7
227.12874	1.3
235.08174	2.6
247.17090	0.3
247.20663	0.3
249.14825	0.6
251.16426	0.6
253.09248	21.7
254.09648	1.0
263.20142	4.6
264.20401	0.4
265.18130	1.9
273.18607	1.2
289.18164	0.3
291.19641	21.0
292.20010	1.4
293.21204	0.3
309.20682	100.0
310.21008	7.2
433.20999	0.6
482.97974	0.2
527.28705	0.8
545.29572	2.6
546.29999	0.3
601.41028	2.2
853.20404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
68.19309	0.3
70.90745	0.3
70.91110	0.9
87.31159	0.3
111.20634	0.3
115.14248	0.3
132.28781	0.3
142.05862	0.3
173.13853	0.4
429.24619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.7
61.98706	5.8
67.52749	0.5
69.03326	0.9
70.78419	1.0
71.01250	5.3
71.04895	0.8
72.99187	0.4
73.02822	1.3
78.91770	0.4
78.95776	0.5
80.96371	0.5
83.01265	0.4
83.04909	0.9
85.02827	1.2
85.57455	0.4
87.00761	1.3
89.02316	3.0
91.03852	0.6
96.95898	2.3
96.96844	0.5
97.06496	0.4
98.95518	0.5
101.02321	4.7
109.06481	0.9
111.08044	15.1
112.08411	0.4
113.02328	2.5
119.03343	0.5
122.64949	0.4
125.02345	2.0
127.07544	1.1
143.03471	0.6
145.04933	0.4
147.77747	0.4
151.11179	0.6
153.09012	0.6
153.12752	1.5
158.99037	0.4
161.04526	2.3
162.03058	0.4
163.11102	0.6
165.12796	0.6
169.01384	2.2
169.10980	0.7
169.12268	5.6
171.10312	0.4
179.10698	0.5
181.12231	1.9
183.13835	0.9
185.11937	0.5
193.12184	0.7
195.13799	0.5
197.11771	79.2
198.12096	4.1
199.13359	4.4
209.11752	1.1
209.15402	0.9
210.12085	0.5
211.13350	11.8
212.13676	0.5
223.16895	0.7
227.12759	2.5
235.08223	2.2
247.20691	0.5
249.14940	1.8
251.16519	1.5
253.09258	22.6
254.09549	1.0
263.20169	4.8
265.18237	1.9
273.18530	2.1
291.19662	23.1
292.19971	2.7
294.97876	0.5
309.20706	100.0
310.21042	8.8
433.20651	1.3
485.24042	0.6
506.22525	0.4
527.28845	0.7
545.29376	2.9
595.88074	0.5
601.40967	2.0
734.31689	0.5
837.44250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
59.55571	0.1
61.98701	100.0
66.64672	0.1
71.01254	1.6
72.99194	0.1
73.02816	0.2
74.49667	0.1
80.96403	0.2
83.01263	0.1
83.04904	0.2
83.47919	0.1
85.02839	0.3
87.00751	0.2
89.02319	0.5
94.98000	0.1
96.95902	0.5
101.02335	0.5
109.06476	0.2
109.59681	0.1
111.90938	0.1
113.02345	0.3
115.00306	0.1
125.02340	0.6
134.36964	0.1
137.02371	0.2
150.24266	0.1
161.71284	0.1
165.12758	0.2
169.01375	0.4
169.12154	0.1
171.10280	0.2
175.02457	0.3
176.62337	0.1
177.01828	0.1
179.05692	0.1
183.13892	0.7
184.14229	0.3
185.11790	0.2
197.11734	0.3
199.13422	0.4
200.13739	0.2
201.11351	0.1
208.10695	0.1
209.11752	2.0
210.12096	1.0
211.13364	0.8
212.13823	0.2
225.11339	0.3
227.12891	1.0
228.13187	0.3
235.08244	0.2
248.68930	0.1
360.83218	0.1
379.12317	0.2
397.13681	0.6
398.13861	0.2
415.15070	0.2
416.15277	0.2
818.39203	0.2
836.40057	1.5
837.40417	0.6
856.12256	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	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	1.7
59.01239	17.2
61.98696	16.2
69.03324	3.1
71.01253	20.2
72.99165	2.3
73.02811	3.2
80.96390	1.8
81.03304	2.2
83.01267	2.3
83.04913	2.0
85.02814	5.1
87.00748	3.9
89.02308	9.9
93.03344	1.3
95.04897	2.4
96.95886	5.6
97.02814	2.5
97.06464	10.5
98.46767	1.2
99.00708	2.2
101.02314	14.0
109.02898	1.6
109.06462	3.4
111.08027	19.0
113.02305	6.1
119.03419	2.3
121.06586	1.4
123.04343	1.5
123.08039	2.3
125.02297	4.8
125.09585	2.8
131.03473	1.8
132.82930	1.2
135.08000	1.3
137.09576	1.8
143.03395	2.0
145.04938	2.0
149.09624	2.2
151.11180	9.3
153.12727	3.2
155.10602	4.7
161.04439	4.7
163.11111	2.3
165.12779	11.5
167.10648	3.1
169.12216	11.3
171.10159	3.2
171.98656	1.3
179.05563	2.6
179.10648	4.3
181.12228	13.2
183.13828	5.9
191.10747	7.1
191.14293	2.6
197.11755	100.0
198.12027	4.9
199.09685	7.9
199.13301	6.1
205.12251	1.3
209.11758	39.7
209.15045	1.4
210.12201	1.7
211.13345	16.1
212.13733	1.4
225.11369	1.6
227.12856	18.1
235.08171	8.2
239.09235	2.1
241.14584	1.4
245.19075	12.2
249.14865	9.1
251.16475	1.9
253.06706	2.4
253.09254	27.9
255.23232	5.7
261.18488	2.0
263.20111	25.9
264.20401	2.0
265.18054	1.7
271.16913	2.0
273.18503	2.2
279.19669	3.1
289.18039	27.3
290.18347	2.0
291.19629	29.4
292.19772	2.8
307.19110	86.9
308.19409	7.7
309.20685	94.7
310.21063	8.7
397.13571	6.2
427.19659	2.1
445.20718	15.0
446.21249	2.0
460.19919	1.8
476.25650	1.4
525.26868	3.1
543.28119	14.9
545.29877	1.6
579.23230	1.6
709.02454	1.4
737.41235	5.3
810.81219	1.8
835.47974	10.3
836.47937	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	11.2
61.98700	47.0
63.16064	0.9
69.03338	1.9
71.01250	13.7
71.49104	0.8
72.99157	1.5
73.02815	3.1
74.43884	1.0
81.03349	1.9
83.01257	3.2
83.04900	2.5
85.02830	3.3
87.00766	3.6
89.02317	8.5
93.06929	1.1
95.01292	1.1
95.04894	1.7
96.95877	2.3
97.02824	3.4
97.06468	6.2
99.08013	1.3
101.02312	11.9
101.20604	0.9
106.04169	0.8
109.06481	2.5
111.00719	0.8
111.08033	17.4
113.02313	6.3
116.92784	1.1
119.03402	2.2
119.08585	0.9
121.06503	1.1
122.62547	0.9
123.04412	2.8
123.08070	2.2
125.02382	2.1
125.09608	6.3
127.07568	2.2
129.01822	0.8
135.08046	1.9
137.05939	0.8
137.09619	2.9
143.03357	1.3
149.09651	0.9
151.11189	2.5
153.12779	1.0
155.10677	0.9
161.04477	3.5
161.09642	1.2
163.11162	7.4
165.09129	1.0
165.12724	4.6
167.03355	0.9
167.07048	4.7
167.10693	2.1
169.12207	6.9
171.10170	2.9
177.12735	0.9
179.05574	1.2
179.10707	1.2
181.12294	5.0
183.06645	1.2
183.13844	2.0
185.11772	6.3
191.10699	2.5
191.14328	6.6
193.04893	0.9
193.12248	1.4
197.11754	87.0
198.12071	4.4
199.09674	3.1
199.13290	4.0
207.10249	3.5
209.11757	22.7
210.12135	1.7
211.13348	15.8
217.15936	1.6
225.11253	2.6
227.12831	6.6
235.08203	6.1
237.11197	5.2
245.19078	16.3
246.19487	1.3
247.16714	1.0
249.15044	1.2
253.09261	37.8
254.09514	1.5
255.23242	1.8
263.20074	14.0
264.20560	1.9
265.18134	1.7
271.17136	1.8
273.18512	1.7
283.36890	0.9
289.18073	78.6
290.18350	8.1
291.19659	29.6
291.22110	0.5
292.19986	2.6
297.11343	4.8
307.19138	84.2
308.19485	7.7
309.20697	100.0
310.21048	10.7
351.21585	0.8
397.13306	2.1
445.20566	3.5
525.27179	2.3
543.28009	6.0
544.28619	0.8
545.29675	1.4
550.38013	0.8
565.22375	3.7
566.22931	1.5
572.22119	0.9
737.40649	1.0
835.47052	3.4
836.48059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	1.2
58.89868	0.7
59.00964	0.9
59.01248	15.6
61.98700	20.3
69.03324	3.8
69.47457	6.4
71.00894	1.4
71.01254	12.2
72.99174	1.9
73.02823	2.0
73.29575	0.8
73.54516	0.8
73.75555	0.8
76.55891	0.8
78.95795	0.9
81.03323	2.4
83.01236	3.0
83.04884	3.7
84.70590	1.0
85.02816	3.2
87.00738	3.0
89.02317	7.0
95.04898	2.6
96.95889	3.0
97.02827	3.3
97.06464	5.1
99.00739	1.3
101.02319	10.1
109.06464	1.3
111.08044	17.9
113.02330	5.5
119.03384	3.6
121.06467	1.7
123.04398	2.9
123.08024	2.4
125.02319	1.4
125.09612	6.7
129.01868	0.9
135.08037	1.8
137.09583	2.7
141.12698	1.7
145.04967	1.5
149.06012	1.0
151.11162	2.0
153.09059	1.4
153.12737	1.4
161.04459	3.7
161.09570	1.3
163.07533	1.1
163.11201	9.2
165.09137	0.9
165.12720	2.4
167.10719	1.0
169.12230	10.6
171.10239	2.2
175.11304	0.9
177.12750	1.5
179.05504	2.1
179.10716	1.6
181.12222	2.9
183.13805	1.9
185.11789	8.5
191.10612	1.4
191.14320	11.3
192.14914	0.8
193.12320	1.7
197.11763	99.5
198.12090	5.4
199.09827	1.0
199.13318	5.1
206.38710	0.8
207.10191	4.2
209.11768	22.8
209.15375	1.6
210.11946	1.1
211.13324	17.5
217.15826	1.7
221.15332	1.9
225.11270	2.9
226.11703	0.9
227.12799	5.2
231.13892	1.3
235.08112	6.8
237.11288	9.3
245.19064	19.7
246.19427	1.4
249.14920	7.5
251.16478	1.3
253.09253	36.3
253.11909	1.9
254.09543	1.0
255.23398	0.9
263.20129	8.6
265.18057	3.4
271.16931	4.2
273.18726	1.5
289.18091	94.1
290.18387	8.6
291.19672	30.9
292.19946	2.5
307.19128	88.0
308.19476	8.2
309.20694	100.0
310.20993	7.4
325.20209	1.5
360.34073	0.9
397.13242	1.8
427.63028	1.0
433.21643	0.9
445.20633	1.2
485.23679	1.6
525.26770	2.4
543.27808	3.6
545.29718	1.0
835.47662	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	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.7
59.01248	10.7
66.27422	0.2
69.03317	0.7
69.97729	1.0
71.01249	8.8
71.04890	0.3
72.99184	0.7
73.02807	1.3
73.03152	0.2
80.02536	1.2
81.02887	0.4
81.03324	1.9
83.01263	1.3
83.04892	5.5
84.02038	0.8
85.02819	2.2
85.42119	0.2
85.99983	0.2
87.00732	2.1
89.02311	7.4
93.03339	0.3
95.01273	0.6
95.04890	0.8
97.02834	1.5
97.06435	0.4
98.20574	0.2
99.00713	0.3
101.02317	6.4
102.02720	0.3
109.06475	0.3
111.04350	0.3
111.08046	0.2
113.02326	3.8
119.03387	1.8
125.02344	2.8
125.05923	0.4
131.03394	0.2
133.05008	0.2
135.08052	0.8
141.01836	0.4
143.03424	1.0
147.11697	0.4
149.04405	0.3
161.04471	1.8
163.11195	4.8
164.11391	0.3
165.12743	2.5
165.89899	0.2
166.12965	0.2
167.03413	0.3
171.10205	0.8
179.05540	2.0
181.12224	0.7
185.11702	0.3
191.10686	1.1
199.13353	1.3
201.52910	0.2
209.11763	100.0
210.12115	5.5
211.13307	0.3
217.07065	0.3
221.06644	0.6
221.11710	0.3
223.13463	0.3
224.88982	0.2
227.12834	16.1
228.13118	0.9
229.14297	0.3
235.08192	2.3
246.50717	0.2
247.13391	1.0
251.12790	0.6
253.09262	0.5
269.34943	0.2
287.07657	0.6
305.08774	0.7
323.09824	0.5
379.12448	2.2
380.12625	0.4
397.13470	18.0
398.13937	1.3
415.14536	5.1
419.24405	0.3
512.10754	0.2
589.25183	0.2
600.58124	0.2
607.26331	0.9
625.27698	0.4
741.90253	0.2
799.38220	1.0
812.66589	0.3
817.38330	0.7
835.39838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	1.3
59.01249	17.4
61.21950	0.6
61.98700	100.0
66.83061	0.7
68.99677	0.8
69.03313	2.0
69.77559	3.2
71.01254	73.6
72.01592	0.8
72.99200	2.1
73.02820	4.9
75.00754	0.8
79.95595	3.6
80.02542	1.0
80.96394	7.6
81.03319	2.0
83.01273	2.4
83.04901	3.7
84.02044	1.3
85.02825	4.3
86.60201	0.8
87.00758	4.9
88.98725	0.6
89.02309	13.0
94.97982	1.8
95.01293	1.8
95.04935	1.6
96.95908	1.3
97.02822	5.1
97.06470	1.1
98.19870	0.8
99.00756	3.2
101.02321	13.6
109.02866	0.7
109.06455	5.9
111.00776	0.9
112.75130	0.6
113.02323	7.7
114.01753	0.6
119.03381	4.2
121.02881	0.7
121.06525	0.8
125.02345	6.7
125.09631	2.5
127.11185	1.3
133.05054	0.9
135.08060	1.2
141.01782	0.7
141.61624	0.6
143.03444	2.8
152.44234	0.6
155.10805	1.0
156.22760	0.7
161.04520	2.8
161.09578	0.6
163.11238	6.8
165.12839	1.4
167.03464	1.1
169.01410	1.2
171.10179	10.5
179.05515	5.2
181.12291	4.1
183.13824	5.9
185.11789	1.5
189.09105	0.8
193.12289	1.1
199.09677	0.9
199.13338	8.9
201.11240	10.8
202.11667	0.9
207.10187	17.2
208.10629	1.2
209.11768	33.4
210.12137	1.8
211.13332	58.5
212.13721	3.3
215.12820	1.6
217.07065	0.7
221.06676	1.6
225.00708	2.9
225.11267	22.4
226.11717	1.6
227.12831	18.4
228.13348	1.5
229.14496	1.0
235.08167	3.3
235.13347	1.0
243.12462	2.8
245.14095	1.0
253.09236	1.2
287.07657	1.3
305.08856	1.0
323.09842	1.5
357.84351	0.7
379.12698	2.5
383.99670	0.7
391.24850	0.9
397.13480	27.9
397.18588	1.5
398.13904	1.9
401.23447	3.2
415.14551	7.1
416.15042	0.7
419.24521	2.9
428.99036	0.7
437.25580	0.9
504.93719	0.8
505.85779	0.8
591.26941	2.8
605.24731	1.1
607.26685	1.3
609.28003	2.6
623.25513	3.5
624.26575	0.8
625.27448	1.1
799.37433	4.0
800.39172	1.3
817.38422	9.4
818.39355	2.7
835.39502	13.6
836.39532	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	835.397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	0.5
59.01250	9.3
63.96540	0.2
69.03311	0.6
70.98335	0.3
70.98683	0.5
71.01253	8.4
71.04874	0.3
72.01575	0.2
72.99163	0.5
73.02824	1.2
75.00743	0.3
80.02541	1.3
81.03324	1.9
83.01250	1.2
83.04894	5.4
84.02032	0.9
84.28629	0.2
85.02824	1.9
87.00751	2.2
89.02315	7.3
93.03313	0.5
95.01251	0.6
95.04877	0.8
96.95885	0.4
97.02811	1.2
99.00751	0.5
101.02319	5.3
109.02806	0.3
111.04407	0.2
113.02328	3.8
119.03394	1.9
124.01573	0.2
125.02339	3.0
125.05958	0.7
125.09569	0.3
131.03381	0.4
133.04984	0.3
135.08011	0.8
141.01764	0.3
143.03418	1.2
149.04503	0.3
157.78606	0.2
161.04449	1.9
163.11201	4.8
164.11525	0.3
165.12770	2.5
166.13130	0.3
171.10124	1.2
173.09656	0.3
179.05519	2.3
181.12296	0.6
185.04428	0.2
186.16429	0.2
191.10638	1.0
199.13316	0.5
209.11769	100.0
210.10075	0.3
210.12114	6.4
217.07063	0.3
218.84344	0.2
221.06667	0.7
227.12842	15.7
228.13190	1.1
229.14572	0.2
235.08171	2.6
247.13322	0.8
251.12894	0.4
253.09325	0.8
259.08160	0.2
263.07803	0.3
265.14197	0.2
287.07852	0.7
305.08740	1.1
323.09851	0.6
376.73849	0.2
379.12442	2.4
397.13483	20.2
398.13785	1.7
415.14529	6.1
416.14957	0.4
419.24429	0.3
470.55191	0.2
472.07257	0.2
589.24530	0.3
607.26038	1.2
608.27039	0.3
773.36200	0.4
799.37494	0.9
817.38837	0.4
818.38898	0.2
835.39600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	1.6
59.00964	1.5
59.01246	22.2
61.98701	100.0
69.03314	2.3
71.01250	83.7
71.04915	1.0
71.48547	0.9
71.48979	1.2
72.01584	1.2
72.99171	2.4
73.02814	4.2
75.00724	1.6
78.91774	2.1
78.95750	1.1
79.95610	5.8
80.02491	1.0
80.96388	14.4
81.03329	2.1
83.01262	1.7
83.04899	3.4
85.02828	4.8
87.00752	6.0
89.02319	15.0
94.97949	5.0
95.01259	3.0
96.95891	1.0
97.02828	5.4
97.45078	0.9
99.00742	3.2
101.02319	13.5
109.06492	6.1
113.02339	6.8
119.03381	4.4
121.06528	1.0
122.97461	1.2
125.02330	9.4
125.05932	0.9
125.09627	2.1
129.01808	1.0
131.03320	0.9
134.97499	1.2
135.08090	1.3
137.09601	0.8
141.01816	1.2
143.03404	3.2
148.99002	1.7
161.04420	4.2
163.11171	5.8
164.98537	2.7
165.12762	1.7
169.01343	1.5
171.10155	11.2
179.05505	4.1
181.12279	4.1
183.13791	5.6
185.11760	2.3
193.12253	1.1
197.11688	1.1
199.13321	10.0
201.11249	8.8
207.10193	20.1
209.11778	38.5
210.12120	3.0
211.13335	52.8
212.13617	3.0
215.12752	1.4
221.06689	1.5
225.00682	3.6
225.11270	17.3
227.12840	29.6
229.14360	1.6
235.08217	5.0
243.12337	2.1
253.14296	1.3
269.08081	1.4
281.94046	0.8
323.09717	1.4
379.12653	2.0
381.94507	1.1
383.22437	1.1
397.13525	28.2
398.13748	1.2
401.23300	3.0
415.14542	8.4
416.14716	1.3
419.24420	3.5
439.14862	1.1
591.26764	1.2
605.24475	1.5
607.26654	1.1
609.27789	2.3
623.25989	1.7
625.26727	3.2
630.58612	1.0
799.37305	4.8
800.38556	1.4
817.38531	10.5
818.38428	2.1
835.40015	24.6
836.39929	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	831.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.5
61.98690	2.1
70.38547	0.5
70.43201	0.4
70.72825	1.4
71.01239	2.0
78.65916	0.5
78.95775	49.1
78.98471	1.3
79.95602	4.4
80.96390	18.0
81.98387	0.6
87.00747	0.8
94.97970	4.1
96.96842	10.8
106.97963	1.2
122.97434	2.3
123.41583	0.6
125.02269	0.8
134.97432	1.3
134.98381	0.8
141.01601	4.0
143.99059	1.2
148.99037	1.5
152.98457	0.9
152.99498	12.2
164.98514	2.4
223.00085	4.6
223.01936	0.8
225.00749	2.7
230.97787	0.8
231.97493	0.5
232.97443	1.3
241.01146	23.0
255.23259	36.3
256.23636	3.4
259.02103	1.0
277.21710	25.1
278.22107	1.5
297.03693	1.0
305.02261	1.1
349.77847	0.5
391.22629	7.5
409.23508	0.8
413.20825	1.3
553.27875	6.8
571.28845	0.7
575.25848	1.5
749.41113	0.7
831.50104	100.0
832.50391	25.1
832.66541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.4
61.98699	100.0
62.98399	0.2
67.33507	0.1
70.04240	0.1
70.14654	0.5
71.01250	0.7
75.00778	0.2
78.95759	0.2
79.95650	0.1
80.96384	0.3
88.98653	0.2
89.02312	0.1
94.97965	0.2
96.95872	0.9
112.98734	0.2
124.95370	0.1
125.02346	0.4
128.24240	0.2
167.03362	0.2
169.01331	0.3
209.11894	0.2
211.13368	0.3
255.23296	0.2
309.20703	0.2
456.77859	0.2
834.40234	0.3
835.40924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	18.4
61.98700	4.7
64.58306	0.7
69.03323	2.7
71.01257	18.2
71.49271	1.1
72.99175	1.8
73.02830	2.1
78.95789	0.8
80.02550	2.1
81.03337	1.8
83.01259	2.2
83.04907	5.4
85.02839	3.7
87.00761	6.2
89.02315	13.4
91.82584	0.8
93.03352	0.8
95.01262	1.0
96.95877	3.7
97.02829	2.2
97.06501	0.8
99.00780	1.6
101.02325	11.8
109.06487	1.0
112.98727	1.3
113.02342	7.6
115.00275	4.3
116.92806	0.9
119.03395	2.6
125.02325	8.0
125.09624	0.9
139.03917	1.4
141.01689	1.6
143.03377	2.2
161.04480	2.1
163.11163	3.8
165.12709	2.1
167.03418	1.7
167.10686	2.2
169.01373	4.3
171.10219	1.7
175.02385	7.1
179.05524	4.3
179.10663	0.8
179.14371	2.1
182.41641	0.9
183.13875	1.0
191.10725	1.4
195.13852	7.8
197.11992	0.8
205.12218	5.9
209.11775	100.0
210.12126	5.5
211.13358	4.8
221.06548	1.7
221.11899	1.0
223.13345	62.0
224.13655	3.1
225.11414	0.9
227.12836	13.7
235.08302	4.7
253.09241	1.7
287.07703	1.0
305.08688	1.2
323.09729	1.3
379.12537	4.0
394.48355	0.8
397.13501	37.5
398.13748	3.1
415.14554	9.6
416.14868	1.0
603.26971	2.4
607.26062	1.9
621.26941	4.1
749.37280	0.9
795.37573	1.3
813.38477	1.1
824.03479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.7
60.30951	0.4
61.66334	0.3
63.02254	0.4
65.00179	0.5
66.51392	0.4
70.83650	0.7
70.83983	0.7
71.01251	4.6
72.99207	0.5
73.02785	0.5
83.01217	0.6
83.02016	0.4
85.02799	0.5
87.00747	11.4
107.01244	0.6
111.00801	0.7
112.70600	0.4
115.00243	11.1
117.03304	0.5
119.04924	1.7
124.01575	1.9
125.02306	2.5
135.00761	0.5
137.02315	0.7
139.00279	1.3
145.02853	2.3
150.03166	0.7
151.00256	3.1
152.01013	1.0
157.01341	0.4
161.02310	0.4
163.00328	0.7
163.03918	1.7
164.01054	1.7
167.03278	0.5
169.01321	2.8
175.02400	13.5
175.03873	0.7
176.02708	0.4
177.01770	0.6
178.99783	4.5
179.03427	0.4
187.03838	0.8
203.03444	1.5
204.04219	0.8
214.02628	5.3
215.03362	1.1
216.04126	0.4
227.03514	0.7
230.02124	0.4
231.02951	0.9
232.03728	0.5
242.02142	4.5
243.02892	3.4
259.02463	7.2
260.02878	0.5
270.01703	6.6
271.02460	35.0
272.02811	2.7
275.09271	1.1
287.01962	23.8
288.02542	3.5
315.01462	8.3
316.02206	100.0
317.02594	8.7
319.04816	0.4
496.66553	0.4
503.50986	0.4
505.09869	16.1
506.10022	1.4
563.99237	0.5
651.13513	77.3
652.13782	11.7
665.07141	0.4
681.14606	1.1
727.14459	0.8
765.16034	0.6
825.51068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.4
61.98707	3.7
69.03327	0.7
71.01252	4.7
72.99169	1.4
73.02803	1.2
74.05794	0.5
83.04890	0.9
85.02843	0.8
87.00742	1.2
88.98662	0.9
89.02339	3.5
97.02810	1.4
97.06470	1.5
101.02304	3.9
111.00750	0.8
111.08012	0.7
113.02324	2.2
114.02702	0.5
119.03359	1.1
123.04381	1.3
125.02312	3.0
125.09619	2.6
135.08081	1.1
137.09641	1.3
143.03409	0.7
145.05019	0.8
161.04463	1.5
163.11237	3.0
165.12698	0.6
169.01286	1.7
171.10173	7.7
178.96619	0.5
181.12222	0.9
183.13820	7.1
185.11696	3.0
191.14325	3.4
192.14749	0.6
193.12274	1.7
207.10210	1.3
209.11758	7.6
211.13342	100.0
212.13673	6.9
225.11331	0.9
235.08194	3.9
237.11302	1.0
245.19095	5.7
253.09277	9.8
263.20212	1.5
271.17154	1.0
277.21738	4.6
289.18091	32.4
290.18472	2.2
307.19147	27.8
308.19531	2.8
335.38770	0.7
397.13425	2.5
447.22385	5.0
448.22397	0.7
483.30405	0.7
501.31952	1.1
525.27069	1.6
543.28210	1.4
621.32813	3.3
622.33545	0.9
639.34576	0.8
719.39655	1.3
737.41406	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	827.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.3
71.01249	6.2
71.49872	0.8
77.47541	0.6
83.01270	1.2
87.00745	11.2
97.03328	0.6
103.72475	0.6
104.03411	0.6
107.01247	1.1
114.99488	1.0
115.00256	14.1
115.01071	1.0
117.03339	0.8
119.04902	1.8
124.01551	2.2
125.02306	4.1
137.02321	1.3
139.00221	1.1
139.07448	0.7
141.12717	0.6
145.02824	2.5
147.04460	0.6
149.02333	1.8
150.03145	4.5
151.00279	5.1
151.03557	0.9
152.01003	1.2
157.01407	0.6
161.02232	0.7
161.64131	0.7
163.00221	1.4
163.03903	1.0
164.01045	1.6
165.01823	0.8
165.05505	4.3
166.02472	1.1
169.01343	3.6
171.04410	1.3
175.02402	17.7
175.03839	0.7
177.01840	0.9
178.99748	4.6
181.04979	1.8
187.03922	0.7
193.05042	1.3
195.06491	1.1
203.03426	2.4
214.02580	6.4
215.03410	1.5
227.03583	0.8
231.02910	1.1
242.02168	5.0
243.02943	3.7
255.24622	0.7
258.01773	0.6
259.02512	7.1
260.02930	1.0
269.08057	2.6
270.01620	6.6
270.08463	1.1
271.02457	36.3
272.02823	2.6
275.09042	1.1
287.01959	27.8
288.02402	3.3
315.01407	9.6
316.02206	100.0
317.02667	8.9
505.09824	19.7
506.09897	2.2
630.23328	2.9
631.23138	2.1
651.13531	95.6
652.13879	15.1
681.14801	1.8
709.13843	1.0
727.15015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.1
65.00205	0.7
68.99674	0.4
69.49058	2.7
71.01251	4.2
83.01258	1.5
85.02818	0.5
87.00748	12.6
90.86626	0.3
98.20621	0.7
99.00730	0.4
107.01271	1.4
109.02856	0.5
111.00756	0.9
113.66822	0.4
115.00254	14.5
116.00587	0.5
116.92753	1.6
119.04916	0.5
124.01572	2.1
125.02348	2.9
136.01567	0.6
137.02332	1.2
139.00209	0.6
145.02867	1.1
149.02353	0.6
150.03098	0.5
151.00246	4.8
151.03783	0.4
152.01035	0.8
157.01314	0.4
163.00305	1.1
164.01067	1.6
165.01808	0.6
165.05516	0.9
166.02585	0.5
167.03403	0.4
169.01344	2.8
174.01517	0.4
175.02390	16.8
176.02666	0.4
177.01889	0.9
177.05396	0.5
178.99789	5.5
188.04738	0.4
195.06512	0.8
199.03963	0.7
203.03398	0.9
204.04271	0.4
214.02637	5.8
215.03250	1.2
227.03531	0.6
231.03035	0.7
242.02202	5.6
243.02911	2.9
244.03450	0.4
259.02484	5.6
260.03094	0.5
270.01700	6.5
271.02472	36.0
272.02762	2.7
281.04562	0.4
287.01974	20.1
288.02570	3.5
299.02094	0.6
315.01434	1.2
316.02222	100.0
317.02737	12.6
317.08917	0.4
318.03186	0.5
340.52246	0.5
342.11127	0.4
357.13425	1.1
378.76343	0.5
421.15271	0.4
465.58902	0.4
505.09830	16.4
506.10001	1.8
651.13531	85.3
652.13831	14.7
652.24829	0.7
681.14368	1.8
709.13922	0.7
727.15118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	0.4
59.00957	0.5
59.01245	7.1
59.74100	0.3
61.98703	1.5
69.03323	2.8
69.58813	0.3
69.84146	1.1
71.01247	8.6
72.99194	0.4
73.02804	1.9
75.10149	0.3
76.68445	0.3
80.96383	0.7
81.03335	0.4
83.01253	1.9
83.04907	0.7
84.02032	0.7
85.02819	10.8
86.03161	0.3
87.00756	2.0
89.02316	4.8
91.03856	0.5
93.40558	0.3
95.01244	0.6
95.04896	0.5
96.95883	1.2
97.02828	3.2
97.06443	1.8
98.19830	0.3
99.00758	0.4
101.02319	6.8
105.97449	0.3
111.08002	0.4
113.02323	4.7
115.03876	0.6
119.03398	2.3
119.08548	0.6
125.02335	0.7
125.09609	1.3
127.07526	0.3
127.11173	1.4
133.05013	0.7
135.08055	0.3
135.41953	0.3
137.09604	3.3
137.42393	0.3
143.03387	1.2
145.04955	1.2
155.10690	1.2
157.04967	0.4
159.19893	0.3
161.04442	3.6
165.12737	0.6
167.14377	0.4
171.10172	33.4
172.10553	1.4
172.93367	0.3
177.12811	0.6
179.05482	1.4
183.13829	2.4
185.11771	0.8
187.06018	0.4
187.09564	0.3
193.12206	0.7
195.13815	0.5
197.11749	0.7
201.11195	2.0
203.94316	0.4
209.11794	0.9
211.13332	9.2
212.13658	0.9
213.11316	0.4
221.11737	1.8
229.14381	5.6
233.22592	0.5
235.08194	15.5
236.08519	0.7
239.12848	1.7
239.15210	0.3
253.09250	31.3
254.09628	1.3
255.23151	0.3
277.21707	100.0
278.22040	9.0
291.19662	5.7
292.19888	0.6
293.21124	0.5
295.22617	0.4
309.20679	16.5
310.20966	1.4
311.22214	0.4
327.21741	92.5
328.22070	9.3
513.30713	0.6
545.29657	3.7
546.29999	0.4
563.30652	4.8
564.31531	0.7
587.43121	2.1
588.43225	0.5
823.42322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74679	0.6
59.01251	13.8
61.98698	3.5
69.03329	2.1
71.01253	13.7
71.49032	0.9
72.22151	0.6
72.99186	1.2
73.02818	2.4
80.96391	1.3
81.03371	1.0
83.01274	1.8
83.04881	0.7
84.02036	0.6
85.02819	9.1
87.00754	1.7
89.02321	10.1
95.01254	1.4
95.04903	1.3
96.95918	1.0
97.02828	3.7
97.06469	8.0
97.67077	0.6
101.02322	10.5
113.02359	5.9
119.03396	2.9
123.08049	4.6
125.02377	2.0
125.09612	30.0
126.09938	1.6
127.11159	1.8
137.09627	2.6
143.03407	1.4
155.10690	2.4
161.04480	3.3
163.11237	0.7
165.12813	1.2
167.14322	0.7
169.08644	1.0
171.10188	25.8
179.05547	2.3
183.13820	3.0
185.11745	0.9
187.09700	15.5
187.11389	0.8
193.12283	1.7
197.11758	1.2
201.11235	1.6
209.11713	2.5
211.13332	16.0
212.13626	0.9
221.06522	0.7
221.11800	1.7
227.12845	0.7
229.14389	12.2
235.08195	6.8
235.16989	0.6
239.12875	1.7
253.09267	30.9
254.09700	1.1
255.23279	17.2
256.23636	1.4
275.20117	0.7
277.21710	72.1
278.22058	5.5
291.19708	8.3
292.19968	0.7
293.21130	3.9
305.49960	0.6
309.20703	27.2
310.21060	2.2
311.22327	2.5
327.21759	100.0
328.22076	7.7
397.13489	1.8
397.86697	0.7
408.15833	0.6
545.29901	3.3
563.30695	5.2
564.31073	0.8
567.23199	1.0
585.24664	1.0
587.43225	2.8
699.24359	0.6
805.44733	0.7
823.46936	53.3
824.47357	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	823.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17126	4.6
59.01242	5.6
61.98697	100.0
63.99130	11.1
71.01229	12.7
79.95605	9.5
80.05606	5.0
80.96387	17.5
87.00727	6.2
89.02319	4.7
94.97939	9.4
98.20724	8.5
101.02312	5.9
116.92735	33.6
125.02323	26.0
139.03925	4.7
167.03348	4.7
169.01315	31.2
177.01804	6.6
179.00633	5.1
197.11726	17.1
199.91072	4.6
209.11768	65.9
210.11987	10.1
211.13322	11.3
225.00650	6.0
225.11107	7.4
227.12819	13.2
235.08224	7.6
253.09250	13.6
291.19489	10.5
304.21320	5.6
309.20718	40.5
310.20987	6.6
545.29498	13.5
823.41760	40.5
824.41504	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	821.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01248	6.7
61.98701	38.7
68.34991	0.5
69.03320	1.3
71.01254	6.0
73.02827	1.0
73.08308	0.5
73.66661	0.6
77.40339	0.7
78.95779	2.2
80.96378	2.3
82.95975	0.7
83.01272	0.8
83.04905	0.8
85.02829	1.6
87.00761	1.5
89.02328	4.7
96.35179	0.5
96.95892	2.1
96.97517	0.6
97.06454	0.8
98.20670	1.1
99.00812	0.6
99.89680	0.6
101.02331	5.1
111.08038	7.3
113.02332	2.9
119.03385	1.0
125.02291	0.9
127.07514	0.8
143.03413	0.8
148.67311	0.5
151.11221	0.9
151.40016	0.5
153.12717	0.7
161.04457	3.2
169.12259	3.7
171.10143	1.5
172.85219	0.6
179.05527	0.8
181.12253	1.1
185.11761	1.2
195.13826	6.4
197.11758	40.2
198.12131	2.1
199.13339	2.4
205.12329	0.8
209.11824	2.2
211.13332	8.4
223.13365	6.8
227.12833	1.0
228.13611	1.1
235.08165	2.7
241.14520	0.8
253.09277	28.2
253.11949	1.3
254.09595	1.9
255.23326	1.1
256.13034	1.2
263.19980	3.5
265.17963	0.9
273.18451	1.4
275.20154	6.8
276.20175	0.6
277.21741	1.2
279.23300	7.5
280.23645	5.4
291.19653	13.7
292.19913	1.9
293.21216	100.0
294.21518	7.1
309.20703	59.4
310.21063	6.1
313.75330	0.6
513.62500	0.6
545.29791	0.7
585.41412	2.7
586.41663	0.9
729.45294	2.9
747.46423	2.1
792.34033	0.7
821.41180	2.8
822.43036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98418	0.2
69.43169	1.4
75.14172	0.2
80.96394	0.5
88.19755	0.2
88.86561	0.1
96.95905	0.5
117.70589	0.2
122.49358	0.2
125.02330	0.3
155.92801	0.2
211.13385	0.3
291.19830	0.3
293.21396	0.3
520.49890	0.2
731.37146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.2
58.00449	1.6
59.01252	25.1
61.98701	5.6
67.90502	0.9
69.03325	1.5
71.01252	24.5
71.48733	1.1
72.99172	2.4
73.02814	3.0
75.00750	3.7
80.96389	3.1
81.03327	1.3
83.01263	3.2
83.04911	1.1
84.02037	1.1
85.02847	5.9
87.00729	4.2
87.66035	1.0
89.02319	19.8
90.02600	1.1
95.01264	1.0
96.95891	7.7
97.02823	3.0
99.00759	1.9
101.02314	16.0
102.02741	1.0
111.00764	1.2
111.04356	1.1
113.02325	8.4
116.92691	1.1
119.03400	4.6
125.02343	7.4
127.38156	0.9
131.03415	1.8
143.03395	1.6
161.04440	3.5
163.11214	1.4
165.12772	5.9
169.01384	2.3
171.10222	2.5
179.05437	3.0
183.13831	66.8
184.14182	5.2
185.11746	9.2
195.13805	10.8
197.11719	2.4
199.13356	2.1
201.11218	1.1
207.10281	2.3
209.11752	11.6
210.12086	4.5
211.13350	40.8
212.13689	7.6
213.14929	51.2
214.15157	2.6
221.06625	2.3
225.11307	2.5
227.12874	10.8
228.13263	2.3
235.08157	4.0
253.09210	2.2
327.21707	1.9
379.12494	3.0
397.13477	16.8
398.13849	3.2
399.13876	1.5
415.14584	5.4
461.20288	1.2
591.26520	2.8
609.27557	1.6
611.28998	1.2
625.27271	2.4
803.40167	2.1
821.41718	100.0
822.42365	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	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
59.01252	6.1
61.98701	31.2
63.39246	0.4
69.03321	1.2
71.01245	4.8
71.41135	0.8
73.02815	0.5
78.95770	0.9
80.96382	1.9
83.04879	0.6
85.02827	1.3
87.00744	1.1
88.12585	0.5
89.02316	3.7
95.01273	0.7
96.95832	1.1
97.40801	0.5
101.02341	4.3
109.06499	0.7
111.08035	8.3
113.02324	2.2
119.03388	1.0
125.02297	0.8
127.07539	0.5
127.94827	0.5
150.03148	0.6
151.11212	0.5
153.12733	0.9
161.04446	2.2
163.11115	0.5
167.10680	0.5
167.15843	0.4
169.12262	3.8
171.10184	0.8
179.14296	0.6
183.13844	0.6
185.11885	0.6
195.13869	8.1
197.11765	44.4
198.12080	2.6
199.13261	1.3
205.12204	0.6
205.15854	0.7
207.41434	0.5
209.11699	1.2
211.13353	7.0
223.13358	5.5
224.13792	0.5
227.12840	0.9
235.08246	2.6
235.17026	1.4
249.14926	1.5
253.09258	27.5
254.09590	1.5
256.13107	1.4
263.20190	3.2
265.18094	1.1
273.18649	0.8
275.20187	5.9
276.20465	0.6
277.21683	0.6
279.23270	3.4
280.23590	2.3
291.19662	13.6
292.19943	1.7
293.21219	100.0
294.21561	8.0
309.20703	56.6
310.21066	5.2
319.64438	0.6
433.20758	0.6
515.04633	0.5
529.30383	1.0
545.29883	1.2
585.41644	2.2
650.56989	0.5
729.45343	0.9
733.17096	0.6
747.46637	0.8
821.42365	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	819.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
59.01245	6.4
61.98700	15.1
67.33681	0.8
69.03354	1.1
71.01243	7.1
71.01558	0.6
71.49252	0.7
73.02843	1.8
75.00740	1.0
78.95803	2.4
78.98479	1.3
79.95586	4.9
80.96383	25.5
81.03358	0.8
83.04884	1.1
85.02864	1.6
87.00775	2.3
89.02306	3.2
94.97955	6.9
95.04947	1.1
96.95913	1.1
101.02297	5.1
111.08032	11.7
113.02371	1.8
122.97498	1.2
125.02367	1.7
132.13824	0.7
134.97493	2.9
148.99068	2.6
151.11218	0.8
152.98576	2.8
153.12735	0.9
161.04463	1.3
163.11206	0.9
164.98543	4.8
165.12770	0.8
167.10733	1.8
169.12218	3.3
177.12793	1.9
179.10724	1.4
195.13802	4.6
197.11749	34.8
198.12135	1.4
199.13396	2.2
209.11758	4.9
209.15381	1.1
211.13300	5.2
225.00636	6.9
227.12880	1.0
235.08276	3.0
241.14404	1.8
247.20699	1.7
249.14999	1.0
251.16431	0.8
253.09264	13.3
253.11911	1.0
263.20120	2.1
273.18649	1.3
277.21600	0.8
279.23312	2.6
291.19644	100.0
292.19952	8.5
292.40646	0.8
293.21201	1.0
309.20679	39.7
310.21069	2.6
346.28110	0.7
397.13477	0.8
509.27505	0.7
527.28516	5.6
545.29919	1.6
728.44885	1.9
746.45013	1.0
819.41608	24.0
820.41949	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	820.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02255	2.8
65.00177	2.8
75.57033	1.2
83.01277	2.2
98.20594	2.6
107.01279	7.1
109.02788	2.6
115.28390	1.1
117.11613	1.3
121.02798	4.6
125.02338	1.5
141.38654	1.1
147.00758	1.3
149.02332	5.2
151.00269	19.7
151.40907	1.2
152.00981	1.8
157.24098	1.4
163.00183	2.6
164.01047	3.9
166.99783	1.6
169.01277	3.5
175.00250	3.1
176.03441	1.3
177.01839	11.3
178.99789	27.6
186.01784	1.2
189.01753	1.3
193.01257	1.7
202.99858	7.5
203.01436	1.7
214.02591	5.1
228.02780	2.1
229.98790	2.5
230.00882	34.6
231.01216	2.4
232.03593	1.7
242.02116	4.2
243.02986	1.6
252.02904	3.8
255.03127	1.4
259.02454	4.0
270.01678	3.9
271.02478	24.0
272.03036	2.7
282.83908	1.3
285.04089	2.2
287.01953	13.3
288.02600	2.1
289.03467	2.9
301.03552	2.5
311.01953	1.5
315.01340	2.6
316.02219	97.2
317.02792	20.1
329.02905	11.0
330.03253	2.0
338.02954	3.0
339.03265	1.2
355.02893	1.9
355.06781	2.9
356.04062	82.7
357.04395	9.0
393.89856	1.2
463.08801	100.0
464.08923	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	819.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.1
58.00448	1.5
58.19313	0.9
59.00956	1.7
59.01248	30.0
61.98695	12.5
67.66526	1.0
69.03313	2.4
71.01252	26.8
72.99178	2.0
73.02802	3.8
79.95633	2.2
80.96386	11.2
81.03311	2.8
83.01257	3.0
83.04893	1.8
85.02821	6.9
87.00754	4.7
89.02325	21.3
90.42405	1.0
94.97938	3.1
95.01249	1.7
96.95895	5.0
97.02824	4.7
97.06441	1.1
98.19852	2.4
99.00739	1.3
101.02319	19.2
104.22717	1.0
111.08059	1.0
113.02338	7.5
119.03358	4.0
125.02322	6.3
128.89951	1.2
129.01825	1.1
134.97379	1.2
139.22267	1.0
143.03375	3.0
148.99016	1.0
154.89612	1.2
161.04440	3.2
163.11249	1.7
164.98538	1.5
165.12730	8.1
171.10252	1.0
179.05540	2.9
183.13826	69.3
184.14130	4.5
193.12234	2.7
195.17390	1.0
209.11783	25.7
210.12000	2.6
211.13330	90.3
212.13632	6.7
221.06566	2.8
225.00720	2.4
225.11177	1.6
227.12892	10.4
235.08130	3.5
253.09242	1.5
273.17044	1.6
287.07660	1.2
341.23282	1.4
379.12350	2.4
397.13486	15.8
398.13742	1.5
408.56561	1.0
415.14575	4.2
607.25977	2.0
609.27148	1.3
625.27161	2.2
801.38428	1.7
819.40033	100.0
819.51526	4.5
820.40369	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	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
61.98701	100.0
62.98415	0.1
66.41353	0.1
71.01257	0.4
79.10418	0.1
80.96384	0.5
88.98684	0.2
89.02347	0.1
94.63087	0.1
94.97986	0.2
96.95883	0.2
125.02338	0.1
129.58595	0.1
197.11751	0.1
207.10252	0.1
209.11841	0.5
211.13351	0.6
225.11128	0.1
229.82507	0.1
397.13919	0.2
425.63303	0.1
759.49347	0.1
818.50177	0.2
819.38263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
61.98701	100.0
62.98408	0.2
71.01266	0.5
71.50175	0.3
71.50539	0.2
79.95621	0.4
80.96380	1.3
87.47355	0.2
94.97966	0.2
101.02394	0.2
113.02346	0.2
120.64678	0.1
125.02335	1.5
134.97447	0.2
139.03998	0.2
149.02339	0.3
152.98634	0.2
164.98608	0.2
167.03488	0.5
169.01314	1.5
177.01857	0.3
197.11894	0.3
209.11797	0.3
211.13402	0.7
225.00751	0.4
277.86377	0.2
291.19589	0.9
305.06909	0.3
309.20822	0.4
397.13452	0.3
428.24155	0.2
461.77612	0.2
540.84888	0.2
578.13379	0.2
675.62793	0.2
818.39960	0.3
819.40601	1.1
821.48578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
62.98395	0.3
70.87232	0.2
71.01257	0.1
71.10048	0.1
75.61958	0.1
80.96381	0.5
83.30298	0.1
87.69958	0.1
89.02276	0.1
90.54846	0.1
167.07079	0.1
168.12817	0.1
192.35022	0.1
209.11813	0.3
210.12085	0.1
211.13205	0.1
225.00531	0.1
277.21661	0.2
289.18161	0.2
291.19809	0.3
293.21118	0.2
307.19336	0.1
309.20746	0.1
415.57281	0.1
487.13284	0.1
819.41785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
58.00461	0.9
59.01247	18.7
62.51062	0.4
69.03325	1.3
71.00855	0.8
71.01250	15.3
72.99187	0.9
73.02826	2.4
75.00755	0.5
80.02541	1.0
81.03311	2.0
83.01244	1.8
83.04891	5.0
84.02032	0.9
85.02819	3.2
87.00745	4.0
87.04389	0.4
89.02311	14.7
95.01247	1.3
95.04952	0.4
96.95883	0.7
97.02812	2.3
99.00742	0.8
101.02317	11.0
109.06470	0.6
111.04354	0.4
113.02319	6.8
119.03400	3.4
125.02336	5.6
131.03400	0.6
133.04912	0.5
135.08032	0.9
143.03448	1.8
149.04520	0.4
161.04427	3.1
163.11166	4.1
165.12744	2.7
167.03363	0.7
167.14388	0.8
171.10196	0.8
179.05513	4.6
181.12215	1.0
183.13835	6.3
191.10738	0.8
193.12256	1.8
199.06113	0.6
199.13281	0.7
199.40547	0.3
209.11760	100.0
210.12083	6.5
211.13324	89.2
212.13672	6.5
217.07074	0.8
221.06596	1.1
227.12827	15.0
228.13104	0.8
229.43742	0.4
235.08209	4.7
245.06612	0.4
249.15088	0.6
251.12968	0.6
253.09258	1.0
287.07730	1.8
301.09238	0.4
305.08795	1.6
323.09872	1.0
379.12448	6.4
380.12698	0.6
397.13461	40.1
398.13928	3.4
403.24924	0.8
415.14548	10.6
415.19949	0.6
416.14923	0.7
589.24939	0.8
591.26385	2.1
607.26013	1.8
608.26306	0.4
609.27454	2.9
783.38586	1.1
801.38428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
60.99183	0.2
61.98700	100.0
66.91255	0.1
69.03349	0.2
71.01260	0.3
71.48987	0.1
71.49429	0.3
75.00744	0.6
79.95572	0.2
80.96377	1.4
88.98688	0.7
94.97970	0.4
97.02833	0.3
100.50301	0.1
125.02348	1.9
144.28105	0.2
144.34435	0.2
167.03395	0.4
169.01347	2.1
175.62511	0.2
177.01813	0.3
178.99915	0.2
186.46771	0.2
197.11664	0.2
207.10188	0.4
209.11816	0.5
210.12061	0.2
211.13451	0.4
225.00623	0.3
254.31134	0.2
309.20657	0.3
319.04480	0.2
450.23703	0.2
481.76611	0.2
816.37897	0.3
816.50977	0.3
817.38409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.1
61.98699	100.0
62.98399	0.2
67.23877	0.1
70.40703	0.2
71.01271	0.1
79.95581	0.2
80.96387	0.4
85.02834	0.1
87.22533	0.1
89.02310	0.1
101.02361	0.1
102.79714	0.1
105.22025	0.1
106.32802	0.1
114.89277	0.1
125.02376	0.1
207.10211	0.1
209.11758	0.3
211.13388	0.3
225.00601	0.1
227.12950	0.1
390.15356	0.1
397.13315	0.1
492.77057	0.1
665.95532	0.1
818.37079	0.2
818.51013	0.1
819.38965	0.3
819.53235	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	816.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.3
61.98701	100.0
62.84025	0.1
62.98405	0.2
62.99166	0.1
71.01242	0.3
71.48936	0.1
78.98523	0.2
79.95627	0.3
80.56882	0.1
80.96378	1.0
89.02323	0.1
94.97968	0.2
96.11879	0.1
105.96194	0.1
107.25238	0.1
116.92755	0.2
125.02365	0.4
141.01602	0.1
148.99030	0.1
152.98550	0.2
164.98586	0.2
167.03383	0.1
169.01387	0.4
181.81407	0.1
188.35091	0.1
197.11821	0.3
207.10223	0.3
209.11867	0.4
211.13470	0.4
224.78510	0.1
225.00824	0.2
227.12912	0.1
267.91464	0.1
273.17148	0.2
309.20697	0.2
385.18723	0.1
393.61957	0.1
397.13953	0.1
457.31866	0.1
816.49774	0.8
817.37860	0.4
817.51251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40500	0.7
59.01229	2.4
63.96111	0.9
69.03324	0.7
69.57524	4.4
71.01252	6.9
73.02801	1.6
78.98455	5.1
79.95607	12.9
80.96384	73.7
85.02800	2.3
87.00742	1.6
94.97391	1.3
94.97953	16.0
96.95868	1.0
97.02810	1.4
101.02299	1.8
104.88823	0.9
106.97945	2.7
118.29154	0.7
122.97448	3.2
125.02324	1.7
134.97452	5.2
136.98955	1.0
148.99033	5.0
152.98511	5.0
164.98515	8.7
202.42320	0.7
206.99602	1.6
225.00681	13.9
227.80696	0.7
277.21448	0.9
375.08975	0.9
537.27435	0.9
552.18927	0.7
559.25928	1.6
692.30975	0.8
746.15533	0.8
815.49786	100.0
816.50128	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62632	0.6
59.01241	4.0
61.98692	2.2
71.01261	2.6
71.12707	1.5
75.00759	1.4
78.95789	2.0
79.95608	1.0
80.02541	1.1
80.96394	2.1
83.04903	3.6
85.02812	1.0
87.00757	1.0
88.98666	2.3
89.02306	1.9
89.14912	0.6
95.04909	1.0
101.02315	2.6
113.02331	1.0
125.05923	0.7
127.07531	0.7
161.04482	1.4
163.11195	4.1
165.12691	1.9
167.07083	1.4
191.10764	0.8
209.11774	100.0
210.12115	5.9
227.12834	13.1
235.08163	3.9
253.09274	7.9
259.15570	1.0
277.21713	80.0
278.22018	8.1
281.50061	0.8
351.11664	0.7
445.20746	2.5
513.30841	0.8
797.41058	1.7
815.50476	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	815.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.4
61.98695	17.9
71.01247	3.6
72.99171	2.2
75.00750	6.0
76.79481	1.1
78.47544	1.2
80.96399	5.6
89.02313	3.3
89.03876	1.4
89.23444	1.1
89.35462	1.0
92.36144	1.0
94.97923	1.3
98.19820	3.5
101.02327	2.7
108.16759	1.3
125.02317	2.8
161.04431	1.7
164.57755	1.0
167.07056	1.6
169.01372	1.3
183.13808	4.7
193.12218	1.0
195.13843	4.6
197.34676	1.3
211.13330	100.0
212.13690	7.2
223.13321	1.6
229.16437	1.7
232.57288	1.2
235.08188	3.9
247.12659	1.1
253.09314	13.5
273.22794	1.4
275.20114	3.8
291.19650	2.8
293.21222	59.6
294.21564	5.7
447.22299	10.2
448.22549	1.6
529.30786	2.0
815.49475	4.4
816.50214	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	814.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.3
61.98702	100.0
62.98412	0.2
66.74070	0.1
69.15335	0.1
71.01267	0.2
71.04447	0.3
72.99175	0.3
75.00742	2.2
80.96384	0.3
95.90833	0.1
106.06432	0.2
108.90279	0.1
112.89367	0.1
125.02361	0.5
126.80937	0.1
162.00938	0.1
169.01344	0.4
182.54211	0.1
197.11824	0.4
209.11842	0.2
210.12393	0.1
211.11523	0.1
211.13206	0.6
223.13298	0.2
224.16296	0.1
225.00601	0.2
253.09399	0.2
309.20752	0.3
310.20984	0.1
317.51410	0.1
398.62424	0.2
815.50458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.2
61.98680	0.9
62.19777	0.5
64.66340	0.5
68.49547	0.5
68.99672	0.8
75.00729	1.4
78.95734	0.6
79.01768	2.7
80.96392	2.4
83.01258	1.5
84.16835	0.5
85.06458	0.6
85.26631	0.6
87.04388	1.0
88.39458	0.5
95.04885	0.7
98.19803	1.2
99.08006	2.3
111.04356	0.7
116.92760	2.6
121.06431	1.1
124.08403	0.5
149.05986	2.5
152.65628	0.5
165.05414	1.1
165.09120	1.9
167.07048	8.6
171.04424	4.9
173.09605	1.2
177.01898	0.7
193.05000	3.9
196.03691	1.0
209.08109	9.5
211.11159	1.7
229.26112	0.6
253.12286	5.6
255.10205	0.6
255.23170	1.2
275.20053	1.2
277.21674	1.2
281.08212	0.8
297.11295	56.2
298.11603	5.7
299.20120	5.2
319.26346	0.9
357.11288	0.7
369.24438	0.6
387.25491	4.6
388.25668	0.7
401.17795	0.7
403.26370	0.9
413.23392	2.7
414.23730	0.7
419.87048	0.6
429.26303	1.8
473.30597	6.3
474.30884	1.1
517.29535	100.0
518.29846	17.8
603.34735	0.6
621.36078	0.8
625.90680	0.6
647.33221	0.6
758.22906	0.6
815.40137	4.0
816.42474	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	813.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.7
61.96253	2.0
61.98699	100.0
68.65108	1.8
71.01230	6.0
72.99155	2.5
75.00365	1.6
75.00733	10.9
81.03317	2.7
83.04901	5.2
87.00758	2.9
97.06464	5.3
101.02306	2.8
113.02322	2.2
125.02310	10.0
151.11093	1.9
163.11125	4.1
165.12759	7.2
169.01332	10.3
181.12221	4.5
191.14383	3.2
197.11664	2.4
207.10033	2.0
209.11774	90.3
210.12160	6.1
211.13307	3.8
227.12820	17.8
235.08102	2.8
245.19057	5.7
253.09248	11.0
263.20056	3.4
289.18115	17.8
307.19122	30.6
445.20450	6.4
543.27881	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	813.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75756	0.4
59.01251	0.4
60.99176	18.7
61.98689	0.8
71.49486	0.6
80.96375	0.5
87.00758	2.3
88.00269	3.1
88.98678	100.0
89.02317	16.0
89.99004	0.9
172.28941	0.4
209.11746	2.6
253.09409	0.4
277.21753	1.4
533.25787	0.5
653.51947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.9
59.18191	1.1
59.31238	1.0
61.98694	7.5
64.11710	1.0
69.24306	11.6
71.01249	5.0
72.98017	1.1
73.02808	1.2
75.00747	1.4
80.02545	1.8
81.03338	2.2
83.04890	4.7
85.02824	1.7
87.00751	1.6
88.98653	1.1
89.02328	2.8
95.04913	1.5
97.02827	1.6
97.06472	1.8
97.34889	1.1
101.02310	3.5
109.06493	2.0
113.02339	1.9
119.03359	1.8
123.04479	2.0
125.02302	5.8
125.05995	1.4
125.09618	3.0
135.07979	1.2
144.36005	1.0
161.04517	1.7
163.11185	9.3
165.12723	3.4
169.01346	4.7
171.10229	1.3
172.99377	1.1
181.12314	1.3
185.11790	2.9
191.10663	2.4
191.14346	3.1
197.11687	2.3
207.10162	4.7
209.11758	100.0
210.12048	6.6
211.13307	5.6
225.11336	2.5
227.12834	13.0
235.08168	2.6
245.18976	6.6
246.45656	1.1
253.09196	12.9
271.17194	1.5
289.18088	34.1
289.21136	2.4
290.18536	3.1
291.19852	1.5
307.19119	28.4
308.19470	3.4
309.20737	2.1
437.05588	1.1
445.20471	1.5
602.69415	1.3
725.10706	1.3
753.41040	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	809.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
59.01246	1.3
61.98703	1.5
71.01260	1.3
71.49398	0.6
75.00749	1.4
82.38696	0.4
85.02805	0.5
88.98703	0.5
89.02344	0.5
93.03314	3.9
96.95898	1.3
101.02333	0.7
103.00253	0.9
108.02060	0.9
109.02855	0.9
113.26981	0.5
116.92741	3.5
117.01804	0.6
121.02842	6.7
122.03625	16.8
123.00751	0.6
123.04384	1.3
124.01501	0.7
125.02346	2.5
128.52251	0.4
129.01814	2.2
133.02853	1.3
134.03613	0.5
135.02901	1.0
135.04436	1.1
136.01564	2.0
137.02333	1.2
138.03122	1.0
139.03841	0.6
145.07758	0.4
146.03635	1.1
149.01097	0.6
149.02344	22.0
150.03123	99.2
151.00275	1.5
151.03552	3.9
161.02359	1.0
161.05904	0.6
162.03191	0.6
163.03864	0.5
164.04706	3.3
165.05475	100.0
165.18112	0.5
165.53496	0.4
166.02592	3.2
166.05821	4.4
167.03397	1.0
169.01334	2.1
171.10207	1.0
173.72652	0.5
177.01860	0.5
177.05473	1.4
178.05887	0.5
179.07027	3.3
180.04219	6.0
181.04948	4.6
193.05031	1.1
194.05380	0.5
194.78746	0.4
195.06549	79.6
196.06847	3.5
199.13353	1.5
201.11314	0.9
205.05040	0.8
209.11795	3.0
210.12155	1.1
219.06516	0.7
387.10333	0.7
387.14832	2.2
397.13431	0.9
417.15533	7.9
418.15836	0.5
552.98914	0.5
565.21143	3.2
566.20276	0.5
595.22144	1.2
613.22998	2.8
613.31482	0.5
663.79431	0.5
809.30347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.3
69.84073	0.4
69.84352	1.8
71.25240	0.3
75.00774	0.3
83.38734	0.3
93.03332	3.9
96.95815	0.3
98.19862	0.3
98.66518	0.3
105.03319	0.3
108.02064	0.6
109.02844	0.9
116.92738	1.4
119.04919	0.3
121.02842	5.4
122.03628	15.0
123.04423	0.5
124.01540	0.4
125.02330	1.0
133.02847	1.9
134.03636	1.0
135.04391	0.9
136.01561	4.8
137.02365	2.6
137.05965	0.4
139.03918	0.4
145.02849	0.4
146.03674	1.1
147.04393	0.5
149.02347	21.0
149.05991	1.3
149.75389	0.3
150.03128	100.0
151.00281	1.6
151.03909	9.7
152.04619	0.5
161.02359	0.4
161.05879	0.3
162.03082	0.5
164.04700	4.4
165.01845	2.5
165.05481	99.2
166.02667	5.1
166.05804	4.5
167.03322	1.1
169.01338	0.8
175.03894	0.5
177.01845	1.0
177.05479	0.7
179.03397	0.7
179.07037	5.5
180.04211	7.9
181.04974	7.3
187.03978	0.4
190.02629	0.3
190.06319	0.3
192.04205	0.5
193.04927	0.3
195.06552	72.9
196.06917	3.0
204.04214	0.4
205.04987	1.1
219.06459	0.9
220.07320	0.6
221.08086	0.4
225.07617	1.5
251.94858	0.3
273.24872	0.3
296.99173	0.3
308.84726	0.3
315.08844	0.3
329.10355	0.7
357.09561	0.6
371.11023	0.3
372.11829	0.4
373.12866	0.8
387.14679	4.5
388.14908	0.3
402.13046	0.3
403.13834	0.8
408.35315	0.3
416.14908	0.5
417.15540	7.8
418.15536	0.4
421.14990	0.5
457.15234	0.4
535.18939	0.4
547.19257	0.4
564.19348	0.4
565.20776	12.8
566.20691	1.6
583.22821	0.3
595.21552	1.7
613.22888	4.0
614.23712	0.7
667.23859	0.5
713.25928	1.0
743.26672	0.9
761.27832	1.6
791.29236	0.6
809.29651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
73.65359	0.5
81.03358	0.4
92.49051	0.4
93.03333	4.1
94.91311	0.5
95.01260	0.8
95.04893	0.7
96.95853	2.0
108.02058	1.3
109.02832	1.9
111.22398	0.4
116.92777	1.3
121.02831	6.1
122.03628	16.4
123.00781	0.8
123.04408	1.4
124.01557	1.0
125.02332	1.1
132.02119	1.0
133.02849	2.5
134.03630	2.6
135.04405	1.0
136.01537	6.5
137.02341	5.7
137.68063	0.4
138.03139	0.5
139.00246	0.6
145.02844	0.5
146.03641	2.1
147.04420	1.1
149.02344	30.3
149.05983	2.9
150.03123	100.0
151.00281	1.6
151.03934	17.9
152.01038	0.7
152.04578	1.0
161.02397	0.5
161.06000	0.7
162.03099	0.8
164.04691	6.5
165.05475	89.8
166.02621	5.8
166.05800	3.9
167.03336	1.3
169.01320	1.5
175.03888	0.8
177.01892	0.8
177.05475	2.9
179.03410	1.3
179.07050	8.2
180.04181	6.2
181.04967	8.0
184.03758	0.6
187.03883	0.5
191.03452	0.7
193.05009	1.2
195.06549	47.6
196.06873	1.6
201.11298	0.7
205.04970	2.1
209.11734	1.0
219.06601	1.5
220.07309	1.4
249.54689	0.5
329.10162	0.7
355.12073	0.8
371.11081	0.7
377.64294	0.5
387.10208	0.6
387.14886	2.2
403.13568	1.0
407.11560	0.5
416.14908	1.0
417.15527	8.6
418.15988	0.7
471.16003	0.6
535.15906	0.8
550.18781	0.4
551.18719	0.5
564.19666	1.5
565.20715	19.4
566.21387	2.3
595.21533	2.1
613.22919	4.3
619.21722	1.3
666.39532	0.4
713.26123	7.7
714.26544	2.0
725.26056	0.7
743.27167	3.5
761.27667	2.0
773.28473	0.9
791.28778	0.8
809.29504	2.2
827.25488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.5
59.01246	2.6
61.98703	3.5
65.40219	0.4
66.30910	0.3
69.77686	0.3
70.90304	0.4
71.01250	2.5
71.49223	0.5
73.02834	0.7
74.25711	0.4
80.91537	0.7
80.96386	0.8
85.02806	0.5
87.00753	0.4
89.02315	1.8
97.06431	0.4
101.02337	2.5
111.08041	0.5
113.02317	1.2
113.92435	0.4
119.03384	0.6
161.04474	1.2
171.10065	0.4
179.14297	0.8
180.27312	0.4
183.13853	0.7
195.13837	8.1
196.14345	0.6
205.12224	0.7
211.13365	0.7
219.25871	0.4
223.13304	5.9
224.13722	0.5
228.13608	0.7
231.21014	0.5
235.08159	0.8
237.10939	0.5
249.11050	5.6
250.11548	0.5
253.09250	17.0
254.09564	0.6
256.13132	1.0
263.12790	0.4
267.12061	1.2
275.20145	5.0
277.21719	1.2
293.21210	100.0
294.21536	8.4
304.45316	0.4
309.20297	0.5
321.92181	0.5
482.47440	0.4
485.20255	0.6
529.30371	0.8
569.42249	1.2
723.43359	0.4
805.40466	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	807.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	9.2
61.98702	100.0
62.68808	6.2
71.01237	7.9
71.49835	8.8
71.50243	7.5
80.96378	15.3
99.98717	6.0
119.34831	6.7
125.02322	21.4
139.16014	5.8
167.03403	8.0
169.01297	20.8
185.21268	6.5
209.11736	32.9
211.13318	15.1
227.12863	10.2
233.49309	5.6
235.08511	6.7
290.01572	6.5
293.21152	27.5
294.21274	8.4
445.25479	6.6
499.26816	6.9
770.47736	8.5
782.25983	7.7
807.41827	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	805.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	14.9
61.98701	13.4
69.03333	2.8
71.01243	17.1
72.99184	2.1
73.02818	3.1
78.95789	2.2
80.96371	1.8
81.03396	1.7
83.01248	2.3
83.04900	4.5
85.02840	7.3
87.00743	4.2
89.02306	10.0
91.97919	1.5
96.91011	1.5
96.95878	33.8
97.06470	3.3
99.00746	2.1
100.32916	1.5
101.02285	7.4
113.02335	5.6
116.92741	5.2
119.03426	2.2
125.02348	5.5
125.09573	1.8
128.03401	1.8
160.52953	1.5
161.02434	1.6
161.04410	2.7
163.11177	3.3
165.12772	4.2
169.01384	1.9
169.12283	4.7
171.10143	18.1
177.01765	1.8
179.05536	2.3
181.12222	1.8
183.13799	3.7
185.11758	2.8
197.11745	26.3
198.12090	1.6
199.13286	7.4
201.11301	7.5
209.11755	100.0
210.12094	4.7
211.13321	24.7
212.13651	10.1
213.11261	1.5
213.13945	4.7
227.12819	29.1
228.13199	2.9
229.14378	5.3
235.08167	11.5
253.09227	22.4
259.15424	1.9
291.19693	3.7
309.20496	8.1
327.21750	45.5
328.22116	5.2
341.23178	11.0
379.12506	2.0
380.12924	2.0
397.13330	12.0
398.13849	3.7
415.14465	2.6
445.20831	2.8
545.29272	2.3
563.30756	3.3
574.79401	1.9
589.59125	1.9
625.27380	3.1
787.37573	1.9
805.38361	5.6
806.11475	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	804.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
63.99110	0.2
68.49049	0.2
71.01251	0.5
71.49212	0.3
76.89405	0.3
78.98485	0.2
79.95618	0.4
80.96386	2.2
87.00751	0.4
89.78275	0.2
94.97978	0.4
108.07854	0.2
112.97558	0.3
121.81235	0.2
125.02335	0.5
164.98532	0.6
169.01382	0.4
183.13849	0.2
209.11778	0.3
211.13326	0.7
225.00710	0.6
241.68515	0.2
630.24084	0.3
804.39697	0.7
805.40479	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	805.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
58.00464	1.0
59.00961	1.0
59.01246	15.0
59.12349	0.6
61.98694	1.8
64.38522	0.5
69.03286	1.2
71.01246	14.3
71.49582	1.0
72.99171	1.0
73.02818	2.1
75.00748	0.8
79.95573	0.6
80.02554	1.0
81.03328	1.2
81.09820	0.5
83.01254	1.9
83.04889	6.7
84.02048	0.6
85.02824	3.9
87.00743	4.5
89.02313	13.0
95.01250	1.5
95.04859	0.9
96.95289	1.0
96.95881	13.0
96.96802	1.2
97.02817	2.5
97.06415	0.6
99.00745	0.7
101.02316	11.3
111.00732	0.6
113.02312	5.9
119.03409	2.8
125.02323	6.6
125.05987	1.0
125.09607	1.2
129.01782	0.7
131.03380	1.1
135.08095	0.7
143.03355	2.3
147.11674	0.7
153.12721	1.6
161.04425	3.1
163.11179	4.8
165.12743	2.6
169.01387	1.7
169.12247	6.0
171.10164	1.0
179.05524	3.5
191.10689	0.7
197.11748	74.3
198.12086	3.4
199.13272	1.4
201.11188	1.6
209.11751	100.0
210.12114	5.6
211.13351	4.0
212.13641	1.1
213.61517	0.5
217.07076	1.2
221.06644	1.8
223.13318	0.5
227.12811	15.0
235.08134	4.4
250.74693	0.5
253.09137	1.4
287.07632	1.2
305.08826	1.8
318.15247	0.5
323.09836	0.6
379.12469	4.5
389.23816	0.6
397.13446	33.6
398.13620	2.7
415.14441	7.5
416.15109	0.6
577.24615	1.2
589.25128	0.9
595.25934	1.9
607.26062	1.7
665.63013	0.6
724.23260	0.6
769.36243	1.2
787.37451	1.3
805.37915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.6405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	1.3
80.96380	1.1
98.13577	0.7
98.20688	1.4
106.15109	0.8
174.13611	0.8
211.13408	0.9
219.71780	0.7
221.41673	0.8
255.23351	1.6
417.34460	0.9
473.36346	100.0
474.36639	16.6
804.42938	0.8
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
59.01251	0.2
61.98700	100.0
62.99140	0.1
67.79642	0.1
71.49686	0.1
71.50011	0.1
80.96397	0.3
94.86320	0.1
94.97961	0.2
98.08031	0.1
125.02337	0.1
169.01447	0.1
190.39246	0.1
209.11874	0.1
211.13377	0.2
233.11656	0.2
486.60648	0.1
775.21411	0.1
805.40369	0.2
836.55438	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
58.00459	0.5
59.01248	10.7
60.01595	0.2
61.98699	1.6
69.03322	0.7
69.20878	0.2
71.01250	8.8
72.01586	0.3
72.99178	0.5
73.02812	1.7
75.00739	0.4
81.03338	0.4
83.01274	1.1
83.04858	0.3
85.02825	2.0
87.00743	2.6
89.02317	8.2
95.01251	0.6
96.95860	1.2
97.02836	1.4
97.06480	0.2
99.00765	0.4
101.02321	6.5
102.02622	0.2
102.97063	0.2
111.00771	0.3
111.04379	0.4
113.02334	3.7
119.03372	1.5
125.02324	3.4
131.03377	0.4
139.03937	0.2
143.03410	1.3
149.04329	0.2
149.41641	0.2
161.04463	1.8
165.12775	0.3
167.14322	0.8
179.05528	2.0
181.12209	0.2
183.13832	7.3
184.14139	0.3
193.12302	2.2
199.06116	0.3
210.22931	0.2
211.13342	100.0
212.13710	6.1
217.07089	0.5
221.06621	0.8
231.36658	0.2
235.08208	2.4
245.06410	0.2
253.09439	0.4
253.14444	0.2
259.08267	0.3
263.07443	0.2
287.07605	0.9
305.08783	0.9
323.09766	0.7
379.12494	3.3
380.12738	0.4
397.13480	19.8
398.13873	1.7
405.26566	0.5
415.14563	4.7
416.14740	0.5
591.26654	3.0
592.27002	0.6
609.27667	4.0
610.28143	0.8
633.74640	0.2
758.22241	0.2
785.39502	1.2
786.39667	0.4
803.40350	0.3
815.92914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.6
58.00460	0.6
59.01253	11.4
61.98703	0.8
62.23074	0.2
69.03330	0.9
70.60352	0.5
71.01253	9.4
72.99171	0.5
73.02820	1.3
75.00739	0.3
81.03331	0.4
83.01244	0.9
83.04870	0.3
85.02828	2.1
87.00745	2.0
89.02319	8.2
95.01252	0.5
96.95844	0.2
97.02826	1.4
99.00742	0.5
99.04351	0.2
101.01646	0.4
101.02319	7.0
109.02832	0.2
111.04412	0.4
111.08043	0.2
113.02329	4.3
114.02618	0.2
119.03386	2.1
125.02339	3.1
129.01880	0.2
131.03348	0.3
139.03905	0.2
141.01855	0.2
143.03391	1.3
145.04973	0.2
155.10687	0.3
161.04488	1.8
165.12791	0.3
167.10698	0.3
167.14299	0.8
179.05531	2.3
181.12234	0.2
183.13828	7.2
184.14114	0.3
190.34943	0.2
193.12289	1.9
199.06181	0.3
209.11705	0.4
211.13335	100.0
212.11647	0.3
212.13683	6.0
217.07089	0.4
221.06584	0.7
231.19250	0.2
235.08234	2.8
243.88844	0.2
253.09273	0.4
253.14415	0.3
259.08289	0.4
263.07730	0.2
287.07758	1.1
305.08826	1.0
323.09720	0.4
373.18735	0.2
379.12448	4.4
380.12866	0.3
387.25464	0.3
397.13492	21.1
398.13892	1.9
405.26416	0.4
409.27090	0.2
415.14615	4.9
416.15121	0.3
429.21014	0.2
552.27271	0.2
591.26514	3.6
591.54688	0.2
592.26910	0.5
609.27618	4.9
610.28021	0.6
785.39752	1.5
786.40259	0.3
803.40027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.2
61.98701	100.0
62.59828	0.1
62.98407	0.2
63.96109	0.1
69.38488	0.1
71.01260	0.5
71.04323	0.1
71.04679	0.1
75.00748	0.1
78.95823	0.1
78.98527	0.1
79.95616	0.4
80.96381	1.9
82.35728	0.1
84.41644	0.1
85.02838	0.1
87.00770	0.1
94.97993	0.3
106.97948	0.1
115.44759	0.1
118.26204	0.1
124.01585	0.1
125.02350	0.3
148.99138	0.1
152.98561	0.1
164.98607	0.3
169.01395	0.2
183.13852	0.1
197.11787	0.1
207.79735	0.1
209.11880	0.1
211.13364	1.0
225.00677	0.5
257.77692	0.1
289.18042	0.1
295.22739	0.2
295.76733	0.1
397.13577	0.2
802.49414	0.1
803.38947	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	802.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
61.98699	100.0
62.98393	0.3
71.01258	0.4
71.28800	0.3
78.98476	0.1
79.95628	0.3
80.96383	1.7
90.17955	0.1
94.97977	0.3
97.40883	0.1
101.02318	0.1
115.76315	0.1
125.02363	0.2
134.22086	0.1
148.99115	0.1
152.98544	0.1
164.98509	0.2
169.01346	0.2
171.10152	0.1
181.98448	0.1
193.40706	0.1
209.11790	0.3
211.13278	1.1
212.13522	0.1
225.00745	0.5
225.64041	0.1
397.13632	0.2
557.33813	0.1
802.49963	0.2
803.38617	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	802.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89985	0.1
59.01242	0.5
59.88334	0.1
60.01565	0.1
61.98701	100.0
62.98415	0.1
69.46505	0.2
69.46900	0.9
71.01254	0.2
75.41692	0.1
80.96370	0.5
94.98001	0.1
98.19815	0.2
132.71040	0.1
154.25772	0.1
211.13339	1.6
212.13652	1.0
213.13986	0.4
239.31821	0.1
267.85147	0.1
277.21765	0.8
278.22046	0.9
279.22797	0.7
280.23413	0.1
362.39124	0.1
449.23462	0.2
581.37640	0.1
608.74780	0.1
769.01019	0.1
803.43182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.5
61.98700	100.0
71.01268	2.1
71.50478	1.3
99.00758	2.3
112.98694	5.4
125.02308	1.5
173.00864	1.7
201.11269	4.3
209.11772	11.7
235.08202	1.6
253.09274	2.5
277.21756	10.0
420.73700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.2
61.98698	100.0
62.98393	0.2
71.01256	0.2
80.96391	0.4
97.50169	0.1
122.91005	0.1
125.02369	0.2
169.01242	0.1
183.13820	0.1
197.11836	0.1
198.12227	0.1
211.13345	0.9
212.13617	0.2
262.88919	0.1
293.21228	0.1
397.13528	0.1
400.41284	0.1
403.40656	0.1
422.59061	0.1
432.76523	0.1
802.38287	0.3
803.38251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80997	0.5
59.01250	3.1
61.98697	24.5
63.96110	1.5
69.03320	1.3
71.01256	11.4
71.50510	1.1
73.02819	1.7
78.95784	1.3
78.98458	8.4
79.95604	18.0
80.96385	100.0
81.03329	1.6
82.05884	0.5
83.01244	0.7
83.04924	1.1
85.02814	4.0
87.00733	4.5
89.30814	0.6
94.97961	22.0
95.01265	0.8
96.95882	5.8
97.02824	2.2
99.00763	0.7
99.04374	0.6
101.02320	3.7
104.65217	0.6
106.97958	5.0
109.02834	0.8
113.02335	1.3
122.97472	4.7
123.00774	0.6
123.04454	0.7
124.00644	4.1
125.02338	11.6
126.02644	0.8
127.03874	1.3
134.97478	7.8
136.99005	2.4
146.97495	0.8
148.99051	8.9
152.09357	0.6
152.98546	8.1
161.02293	0.7
163.11212	1.1
164.98546	16.1
165.12711	0.9
167.00053	1.1
167.03394	1.2
169.01334	7.9
170.01727	0.8
171.10219	1.1
177.01881	1.3
179.00014	0.8
206.99628	3.9
209.11760	14.6
209.13770	0.7
210.12054	2.4
211.13342	5.0
212.13617	0.6
225.00688	29.8
226.01021	0.9
227.12694	0.7
233.15382	1.0
271.05966	0.8
283.05106	0.8
306.07397	0.8
397.13544	2.9
407.11545	1.0
509.16830	1.4
541.19659	6.0
677.34686	0.7
769.32550	1.2
783.38409	1.4
801.35773	97.9
802.36078	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.9
58.00452	3.0
59.01252	46.7
61.98703	31.8
62.72407	1.1
65.03814	3.0
69.03322	4.7
70.92553	2.6
71.01254	43.9
72.99180	5.8
73.02815	4.8
75.00742	1.8
78.91792	1.0
80.96370	1.2
81.03326	3.3
83.01241	4.6
83.04900	5.9
85.02828	11.6
85.06453	2.4
87.00764	11.3
89.02317	30.4
91.05389	1.6
93.03295	1.1
95.01247	3.1
95.04897	1.5
96.95878	3.6
96.96887	1.1
97.02827	7.2
97.06454	3.7
99.00749	2.2
101.02325	22.6
106.04122	1.1
107.04912	1.5
109.02840	1.6
109.06463	2.3
109.59178	1.1
111.00764	2.5
111.04403	1.2
111.08036	3.8
113.02334	15.6
119.03369	6.9
119.04926	2.7
123.08062	3.0
124.01566	1.3
125.02362	12.7
125.05991	1.5
125.09634	13.0
127.11201	1.3
131.03374	1.3
135.08008	1.9
137.09634	1.2
139.03893	1.1
143.03375	3.2
155.10637	1.2
161.04440	4.2
163.11209	2.6
167.03424	1.4
169.01344	4.0
171.08777	2.0
171.10187	33.5
179.05540	9.1
181.12224	1.2
183.13855	2.7
185.11748	2.8
187.09727	1.6
193.12294	2.5
205.15831	3.3
207.10194	1.5
207.13837	1.8
209.11768	29.4
210.12029	1.3
211.13341	33.3
212.13644	1.5
213.12825	1.2
213.14786	1.6
215.14409	8.6
221.06703	4.9
221.15277	1.9
227.12646	1.1
228.09402	1.0
231.13957	2.3
233.15430	50.5
234.15730	4.8
235.08156	5.5
235.13324	1.4
235.17075	1.1
249.14937	20.1
250.15279	2.0
251.16415	2.4
253.09337	1.1
289.38531	1.0
291.04932	1.1
299.02060	1.7
305.08844	1.3
306.07547	1.5
313.25195	1.5
331.26346	2.2
341.24786	4.4
357.24152	2.2
359.25961	2.3
367.22821	3.5
375.25259	4.4
379.12433	5.5
385.23843	20.1
386.23990	3.2
393.26639	2.0
397.13452	29.4
397.18588	1.8
398.13565	2.0
403.24869	35.2
404.25204	3.5
415.14493	4.1
421.25919	16.8
422.26215	1.3
470.34933	1.1
591.26147	1.5
607.97974	1.3
629.28265	2.3
773.39087	2.5
783.38104	100.0
784.38519	20.3
801.39117	70.4
802.39453	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	800.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
61.98702	100.0
70.49657	0.2
71.49508	0.2
76.07814	0.2
79.95690	0.3
80.96398	0.8
105.96416	0.2
107.79997	0.2
112.03470	0.2
118.36655	0.2
125.02359	0.2
169.01363	0.2
172.10612	0.2
199.13336	0.4
211.13354	0.5
212.13768	0.3
243.93169	0.2
277.21591	0.4
278.22092	0.2
344.61365	0.2
389.09546	0.3
409.31577	0.3
510.81107	0.2
648.14600	0.2
705.75897	0.2
800.41370	0.4
801.38043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.2
61.98699	100.0
62.98392	0.1
63.12233	0.1
70.70213	0.1
70.70567	0.3
71.01250	0.2
72.99191	0.1
75.00745	0.6
77.50159	0.1
80.96376	0.2
94.59567	0.1
108.05736	0.1
113.02361	0.1
125.02361	0.1
148.17761	0.1
161.04520	0.1
181.84727	0.1
197.11766	0.4
207.10243	0.2
209.11781	0.6
211.13397	0.9
212.13756	0.2
227.12979	0.1
239.12740	0.2
240.13063	0.1
253.09296	0.2
273.16818	0.2
291.19800	0.2
292.20178	0.1
293.21149	0.3
309.20728	0.3
310.21063	0.1
470.13602	0.1
601.50397	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	800.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80101	0.1
59.01255	0.1
61.98702	100.0
62.98410	0.2
71.01278	0.1
71.40964	0.2
73.78723	0.1
75.11998	0.1
80.96394	0.2
96.99072	0.1
125.02374	0.1
169.01282	0.1
197.11797	0.2
209.11819	0.3
210.12166	0.2
211.13293	0.9
212.13739	0.3
227.12807	0.2
253.09619	0.1
273.17184	0.3
291.19766	0.2
292.20062	0.1
293.21365	0.2
309.20816	0.4
310.21149	0.2
316.68665	0.1
449.81790	0.1
769.40930	0.2
801.37128	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	800.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.3
61.98699	100.0
71.01257	0.4
71.49120	0.3
78.95766	0.3
80.96402	0.6
82.36816	0.3
84.53129	0.2
96.95876	0.2
99.00777	0.4
112.98679	1.3
125.02329	0.5
139.59106	0.2
164.35986	0.2
168.62471	0.2
169.01421	0.4
173.00819	0.4
195.06816	0.2
197.11736	0.5
209.11775	0.5
211.13338	1.2
212.13722	0.6
223.13350	0.3
253.09233	0.4
277.21591	0.2
290.18463	0.2
291.19711	0.5
293.21191	0.3
295.22803	0.5
726.44165	0.3
746.61481	0.3
801.37390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	16.9
60.01588	0.3
69.03310	0.4
70.38887	0.2
70.70057	0.3
70.82000	0.6
71.01250	2.5
72.99197	0.2
73.02827	0.3
79.95610	0.5
80.96382	3.8
82.17953	0.2
82.95973	1.0
83.04874	0.3
85.02818	0.7
86.06855	0.2
87.00748	0.7
89.02318	1.5
94.97961	0.8
96.95868	0.3
96.97514	0.3
101.02325	2.4
106.97977	0.3
113.02319	0.8
119.03375	0.4
125.02377	0.3
143.03375	0.4
152.98558	0.3
161.04445	0.3
164.98512	0.5
165.12790	0.3
167.10709	0.5
167.14314	0.5
179.05562	0.5
183.13811	5.5
190.29822	0.2
193.12282	1.6
198.52647	0.2
211.13327	100.0
212.13670	4.9
225.00714	1.0
233.22458	0.3
235.08191	2.2
253.09264	6.1
254.09628	0.3
277.21704	62.1
278.22052	5.4
429.21338	1.8
447.22345	8.2
448.22702	0.9
467.55499	0.3
513.30847	1.1
707.43909	0.7
709.38171	0.8
781.39948	0.5
799.43573	4.8
800.43536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.2
61.98700	100.0
62.98406	0.2
63.12468	0.1
65.00841	0.1
70.15354	0.3
71.01263	0.2
71.08212	0.1
84.33253	0.1
88.98710	0.1
89.02306	0.2
113.02345	0.1
125.02359	0.4
138.12306	0.1
146.04512	0.1
169.01367	0.3
177.01852	0.1
183.13850	0.3
209.11806	0.3
211.13361	0.3
227.12891	0.2
300.49829	0.1
316.02423	0.1
336.26898	0.1
783.38153	0.1
800.38068	0.2
801.39099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.9
61.98704	28.8
69.03294	0.9
71.01264	4.7
71.42639	0.7
73.02808	0.9
83.04876	0.9
85.02846	1.0
87.00762	0.9
89.02325	2.6
95.45480	0.8
101.02324	4.3
103.04509	0.8
104.11535	0.8
111.08049	6.6
113.02311	2.3
119.03352	0.9
125.02325	1.8
161.04425	2.4
165.12778	1.2
167.14363	1.1
169.01375	1.1
169.12238	3.1
181.12321	1.4
183.12392	0.7
183.13853	5.0
193.12247	1.0
197.11765	37.9
198.12137	1.2
199.13347	2.2
209.11790	7.2
211.13341	100.0
212.13640	5.0
227.12938	2.5
235.08058	3.9
248.04010	0.8
251.16527	0.8
253.09253	13.9
253.11873	0.9
263.20093	1.0
290.43698	0.8
291.19672	16.9
292.20032	1.0
293.21173	7.6
294.21484	1.4
309.20691	45.6
310.21066	4.0
332.07501	0.8
350.14349	0.8
409.35925	0.8
414.37753	0.7
433.20789	0.9
447.22449	5.2
475.49353	0.9
527.28302	1.0
545.29700	2.9
771.31921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	14.5
61.98693	3.8
70.18086	3.6
71.01264	4.8
80.96389	1.0
83.01261	1.1
85.02827	1.6
88.98669	1.9
89.02331	2.6
97.02769	1.1
97.06479	2.3
101.02317	2.7
109.06483	1.3
113.02316	1.8
123.45050	0.8
125.02339	2.2
129.70461	1.0
151.11160	1.3
153.15767	0.9
161.04514	1.2
163.11169	2.0
164.98634	1.1
165.12796	1.5
169.01320	3.1
179.10794	1.1
181.12198	1.2
183.13797	6.8
185.11800	1.1
191.14436	2.2
193.12311	1.2
207.10225	1.5
209.11781	12.7
211.13335	100.0
212.13681	8.0
225.11284	1.5
227.12943	1.1
232.18286	0.9
235.08217	3.4
237.11237	1.1
245.19043	6.0
253.09285	9.1
263.20163	4.8
277.21664	1.4
289.18106	25.5
290.18265	1.6
293.21265	0.9
307.19125	28.6
307.22638	1.5
308.19598	2.0
309.52652	0.9
445.20755	2.5
447.22266	4.4
501.32193	1.4
525.26959	1.4
543.28156	3.5
621.32776	2.6
625.96637	1.0
639.34210	1.7
737.40961	2.5
738.42737	1.0
797.38513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3759
Annotation	Win 66306
Peak:m/z	Relative Intensity
57.03313	2.8
57.80191	1.0
58.66674	1.0
59.01250	30.9
60.99169	1.6
61.98702	22.4
63.16672	1.0
65.03821	3.1
68.99683	1.1
69.03329	3.0
71.01252	28.0
71.49140	2.0
72.99172	4.4
73.02805	3.7
75.00720	2.7
81.03341	2.5
83.01254	2.2
83.04901	1.5
83.55154	0.9
85.02816	7.3
87.00753	5.4
88.98664	6.8
89.02319	18.4
91.05354	1.1
93.03329	1.2
95.01259	3.1
95.04885	2.5
97.02212	1.1
97.02832	3.7
97.06451	2.9
99.00788	1.4
101.02322	16.4
109.06419	1.4
113.02326	6.6
115.05425	1.6
119.03389	3.7
121.02842	1.9
123.08014	1.9
125.02352	8.4
125.09599	14.4
133.10158	1.3
141.01709	1.9
143.03462	2.0
161.04451	2.1
169.01280	4.3
171.10208	1.8
185.11716	4.3
185.13188	1.4
187.09695	1.5
187.14833	6.0
191.10709	1.3
209.11777	11.7
211.13278	4.2
213.12820	5.0
221.06630	5.0
225.11243	1.2
231.13884	16.8
232.14308	1.7
233.11813	2.0
233.15427	1.1
235.08159	1.7
246.63770	1.1
249.14882	4.2
292.80780	1.0
300.02597	1.3
339.23080	3.5
357.24280	1.9
365.21033	2.9
373.23685	2.6
383.22281	11.3
384.22540	2.1
391.24829	3.3
397.13364	5.4
401.18237	1.9
401.23279	21.4
402.23505	2.5
419.24295	5.7
425.23322	1.4
470.22720	1.1
589.24329	1.3
781.36432	100.0
782.36755	23.4
799.37579	25.1
800.37872	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	797.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.1
59.00961	0.9
59.01247	15.7
60.01574	0.5
61.98693	2.6
65.01041	0.4
69.03318	0.4
71.01247	3.2
71.49635	0.6
71.49960	0.5
72.99166	1.0
73.02803	0.5
80.97212	0.5
81.03320	0.9
83.01266	1.1
83.04884	0.7
85.02821	0.8
87.00757	0.9
89.02322	2.2
95.01229	0.7
97.02865	0.4
97.06469	1.7
101.02298	2.9
103.15992	0.4
104.81973	0.5
106.04107	0.5
113.02325	1.6
123.04408	1.0
123.08077	0.9
125.02325	1.6
125.09611	1.9
130.42624	0.4
135.08064	1.1
137.09599	1.2
141.01601	0.7
142.02737	0.5
142.21942	0.4
143.03362	0.5
145.04890	0.6
151.11197	0.5
155.10625	0.4
161.04482	1.5
163.11195	2.4
165.12782	0.8
167.10716	0.9
167.14241	0.6
169.01381	0.4
171.10162	0.6
179.05501	0.5
181.12263	0.5
183.13821	6.4
185.11800	2.9
191.14352	2.4
193.12236	1.7
193.47922	0.4
207.10229	1.7
209.11775	6.1
210.12085	0.6
211.13327	100.0
212.13670	6.5
225.11237	1.3
235.08109	2.7
237.11295	1.2
245.19090	4.6
246.19354	0.6
253.09270	9.4
263.20151	1.2
271.17007	1.0
277.21716	0.7
282.35706	0.5
289.18088	26.4
290.15701	0.4
290.18430	2.8
291.19647	0.5
293.21124	0.6
298.11523	0.4
307.19113	25.0
308.19427	2.3
447.22424	3.4
465.30319	0.4
483.31073	0.6
501.31995	1.1
525.27271	0.6
533.53693	0.5
543.28223	0.9
560.98395	0.5
590.12842	0.4
621.32788	2.8
622.33350	0.5
701.39899	0.6
719.40045	0.7
737.41278	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	797.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90290	2.1
63.02241	4.1
65.00198	5.1
65.51332	2.0
65.54396	2.2
69.43137	13.5
69.43552	3.7
71.07092	2.1
83.01228	5.7
85.04410	2.1
95.01265	3.9
101.51926	2.1
101.64754	2.1
107.01268	9.4
120.34082	2.2
120.53490	2.1
123.00728	3.5
124.01556	5.3
125.02339	50.3
139.00269	5.8
151.00284	42.3
152.01042	12.4
153.01808	8.1
163.00302	18.1
166.99747	3.4
169.01341	13.8
178.99763	37.0
180.00130	3.6
201.01918	2.6
206.99278	100.0
208.00020	14.0
243.02875	6.1
247.02393	2.8
259.02472	5.4
270.01682	4.6
271.02478	29.6
272.02908	4.2
287.01907	18.6
288.02625	2.9
289.03369	3.7
315.01361	13.2
316.02222	69.7
317.02823	18.6
318.03021	2.3
332.01801	4.3
333.02484	81.7
334.02866	5.2
463.08820	94.5
464.09128	12.5
474.73315	2.4
479.08322	6.3
631.30182	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	797.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.5
61.98703	100.0
69.03322	0.8
70.00518	2.0
71.01254	4.0
72.99203	1.3
73.02814	0.6
80.96400	1.7
83.04893	0.6
85.02837	1.0
89.02317	2.2
90.02996	0.7
92.04916	0.5
97.06483	1.8
99.00140	0.5
101.02320	2.9
105.90422	0.6
111.04443	0.6
113.02346	1.7
123.04442	0.6
125.02356	2.6
125.09592	0.7
129.76244	0.6
134.41144	0.6
151.11235	1.8
155.10822	0.9
161.04491	1.4
163.11203	0.6
164.98668	0.7
165.12735	2.7
167.10699	1.0
169.01309	3.1
177.12926	0.6
179.10707	1.3
181.12312	2.5
183.13837	5.1
191.10741	1.3
193.12325	1.5
209.11774	8.6
211.13336	71.2
212.13690	4.6
223.09775	0.6
223.13400	2.0
224.13690	1.0
227.12764	3.1
229.46690	0.7
235.08263	2.2
245.19125	2.7
253.09259	5.0
263.20139	4.0
264.20560	0.7
275.36124	0.7
277.21744	1.0
279.19745	0.7
289.18140	6.6
293.21326	1.4
294.21686	1.4
307.19156	19.8
307.22638	1.0
308.19675	1.9
445.21078	4.3
447.22626	2.4
512.79956	0.6
525.27295	0.8
535.49658	0.6
543.28308	4.4
544.29272	0.7
593.69067	0.6
639.33905	1.8
708.37701	0.6
719.40009	0.7
737.42206	2.1
738.42413	0.7
790.76160	0.7
797.40411	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	7.8
60.34451	4.2
69.19942	4.6
70.03945	4.7
70.56030	12.5
76.32032	4.9
94.61079	4.8
117.69027	5.0
125.02322	100.0
137.02307	9.7
151.03928	8.5
157.47789	4.6
161.02333	18.2
163.00256	8.8
165.01851	6.2
169.01294	17.9
175.00351	5.2
175.03856	11.4
177.01848	75.5
179.30896	4.8
181.94466	5.1
191.05479	4.8
199.03864	7.1
217.05092	5.9
243.02988	16.8
255.03036	8.5
261.04074	7.8
269.04581	6.4
287.05591	11.5
301.03439	7.3
303.05011	8.5
305.06708	16.6
315.00067	5.6
363.39349	5.8
366.71652	4.9
389.93521	5.2
405.05640	6.9
423.07230	78.9
424.07300	11.8
465.08469	7.4
483.09338	7.0
591.11218	16.3
593.09515	10.9
609.12299	23.6
761.13080	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	795.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
67.01765	0.9
69.03329	1.2
81.03332	0.6
83.01273	0.6
93.03350	1.0
95.01266	0.7
97.02831	1.1
107.01292	0.5
109.02837	0.6
119.04860	0.5
123.00769	0.9
125.02334	58.3
126.02653	2.1
137.02338	2.4
139.03877	0.8
161.02357	3.3
165.01857	1.3
166.99774	0.6
167.03410	1.1
169.01335	100.0
170.01703	3.0
173.81197	0.4
179.03413	1.2
191.05556	2.5
193.01352	1.6
196.66257	0.3
219.06587	0.7
269.04700	0.9
287.05652	1.4
290.21176	0.4
305.06665	4.8
331.04575	1.4
457.07718	10.7
458.08105	1.5
549.01685	0.4
635.26123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
60.99178	17.2
61.98695	0.5
71.01239	1.4
71.41275	0.5
72.99181	0.6
73.02795	0.3
87.00759	1.3
88.00273	1.8
88.98679	100.0
89.02320	6.9
89.99026	0.9
96.95886	0.4
99.00772	0.4
104.45541	0.3
116.92722	0.3
125.02330	1.1
125.09552	0.3
150.03186	0.4
161.02464	0.3
165.05481	0.4
169.01300	1.0
171.10223	0.6
195.06650	0.5
201.11334	0.6
209.11755	4.3
210.83209	0.3
211.13235	0.4
227.12868	0.7
316.02197	0.5
359.15253	0.6
397.13474	0.3
445.20880	0.3
490.94888	0.3
595.55109	0.3
735.34143	1.3
736.35425	0.4
795.36414	7.1
796.37097	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	795.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17893	0.2
61.98702	0.6
73.83589	0.2
80.44208	0.2
88.07790	0.2
88.98680	0.6
89.02345	0.2
99.92458	12.7
100.92470	0.7
114.93306	0.4
116.92742	100.0
117.92748	5.3
125.02311	0.2
141.64148	0.2
145.02788	0.2
171.50621	0.2
211.13312	0.4
222.77245	0.2
243.02991	0.5
243.61215	0.2
255.02925	1.7
260.65909	0.2
271.02448	3.9
272.02991	0.4
273.17099	0.2
299.02057	0.2
300.02716	7.7
301.03152	0.6
359.66699	0.2
429.29578	0.2
531.11426	3.6
532.11963	0.4
637.09595	0.2
677.15070	5.4
678.15491	1.1
759.07062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58187	2.4
55.64268	2.5
60.26887	2.7
71.07202	5.7
87.52850	2.4
103.13055	2.7
114.76106	2.4
115.50282	2.5
125.02364	2.8
159.04541	2.9
160.70644	2.6
162.59521	2.4
178.09706	3.1
187.03839	5.2
203.03394	3.4
215.03395	3.2
243.03012	4.8
259.02451	8.5
271.02618	2.9
278.91345	3.0
287.01956	56.6
288.02252	3.2
315.01483	100.0
316.01962	18.4
479.07700	4.2
697.10950	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	791.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55585	11.3
61.98701	78.8
69.84759	39.3
69.85164	30.2
80.96352	19.3
107.54490	12.3
118.13568	12.8
196.15572	12.8
209.11789	100.0
277.21713	79.8
603.66547	16.5
733.11267	14.2
791.42169	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
59.05379	0.1
61.98711	0.6
71.01276	0.3
72.99181	0.1
73.02816	6.3
74.02354	0.2
75.00747	1.1
81.56985	0.1
87.00738	0.3
89.02309	0.2
98.20679	0.3
99.00747	1.5
99.92460	10.2
100.92506	0.7
100.93136	0.2
114.93295	0.5
115.00288	0.2
115.99840	0.2
116.03455	0.1
116.92747	100.0
116.97102	1.7
117.01820	10.8
117.05470	0.4
117.92752	5.6
125.02321	0.2
169.01422	0.1
229.20789	0.2
269.78336	0.2
284.04428	0.1
397.13623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	38.5
70.77860	4.0
70.78208	5.8
71.01258	5.5
73.02812	3.0
80.17429	3.2
80.96382	17.5
83.04865	4.1
83.66666	3.0
85.02847	3.0
88.98655	5.2
94.97965	4.1
96.50269	2.8
96.95907	3.0
101.02327	4.0
116.92716	17.4
144.66734	2.9
163.07288	2.9
169.01337	3.8
186.08482	3.1
188.03024	2.9
188.22656	3.1
191.03148	2.8
197.11768	11.8
209.11765	100.0
210.12096	8.0
211.13390	9.2
225.00732	5.4
227.12889	22.3
235.08200	7.9
253.09206	13.9
285.93039	3.1
291.19711	8.7
309.20712	43.5
310.20996	5.6
445.20721	8.9
791.39441	42.2
792.39899	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	791.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
64.91089	1.6
70.77776	3.8
71.01263	3.6
74.84241	1.6
75.63488	1.7
80.96400	2.1
89.02328	2.3
91.31677	1.7
96.88761	1.7
99.92505	1.9
111.08021	2.3
116.92008	2.9
116.92747	29.1
116.98319	1.7
117.92797	1.9
124.70621	1.6
125.02345	2.8
129.49263	1.6
169.01329	3.2
197.11797	14.7
199.13245	2.1
209.11777	61.8
210.12109	3.5
211.13383	11.2
227.12822	15.7
235.08252	4.7
253.09280	15.5
283.31836	1.8
291.19730	9.3
295.03589	1.6
309.20712	37.5
310.20996	4.6
405.84827	1.7
445.20749	3.5
545.29651	2.7
655.45154	1.7
656.35913	1.9
701.74725	1.9
728.29510	1.9
791.39691	23.9
792.40002	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	791.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29360	0.2
59.01239	0.6
59.67086	0.2
61.98699	1.0
71.01252	0.9
71.49538	0.2
72.07458	0.2
73.02823	0.2
79.95607	3.5
85.02837	0.3
89.02309	0.6
93.79044	0.2
94.32761	0.2
96.95885	100.0
98.95482	0.3
99.00760	0.3
101.02332	0.6
103.37064	0.2
113.02303	0.3
114.93276	0.2
116.92743	1.0
117.68252	0.2
125.02317	0.5
127.03533	0.2
145.93549	0.2
161.02208	0.2
161.04485	0.3
169.01295	0.3
171.10214	0.6
196.36214	0.2
197.11757	1.0
198.12080	0.4
199.09729	0.2
199.13319	2.1
206.33612	0.2
209.11780	1.2
211.13339	3.3
212.13589	0.3
235.08228	0.3
246.97537	0.2
253.09253	0.3
259.02243	0.2
271.02637	0.5
287.01935	0.3
316.02234	1.3
329.23447	0.4
357.25555	0.2
379.12546	0.3
384.98755	0.4
397.13535	1.6
398.14008	0.3
412.98264	0.5
413.98865	0.4
414.99860	0.8
415.14490	0.3
447.16174	0.2
455.57379	0.3
547.11108	0.3
693.14471	1.1
731.09033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29360	0.2
59.01239	0.6
59.67086	0.2
61.98699	1.0
71.01252	0.9
71.49538	0.2
72.07458	0.2
73.02823	0.2
79.95607	3.5
85.02837	0.3
89.02309	0.6
93.79044	0.2
94.32761	0.2
96.95885	100.0
98.95482	0.3
99.00760	0.3
101.02332	0.6
103.37064	0.2
113.02303	0.3
114.93276	0.2
116.92743	1.0
117.68252	0.2
125.02317	0.5
127.03533	0.2
145.93549	0.2
161.02208	0.2
161.04485	0.3
169.01295	0.3
171.10214	0.6
196.36214	0.2
197.11757	1.0
198.12080	0.4
199.09729	0.2
199.13319	2.1
206.33612	0.2
209.11780	1.2
211.13339	3.3
212.13589	0.3
235.08228	0.3
246.97537	0.2
253.09253	0.3
259.02243	0.2
271.02637	0.5
287.01935	0.3
316.02234	1.3
329.23447	0.4
357.25555	0.2
379.12546	0.3
384.98755	0.4
397.13535	1.6
398.14008	0.3
412.98264	0.5
413.98865	0.4
414.99860	0.8
415.14490	0.3
447.16174	0.2
455.57379	0.3
547.11108	0.3
693.14471	1.1
731.09033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76560	0.1
58.25264	0.1
61.98699	100.0
62.98392	0.2
63.99142	0.2
64.39930	0.1
69.31826	0.8
69.32245	0.3
71.01252	0.2
78.98463	0.2
79.95611	0.2
80.96387	1.2
88.98695	0.2
94.97970	0.1
98.20551	0.3
113.19752	0.1
124.66375	0.1
177.98050	0.1
206.99835	0.1
211.13336	0.4
225.00690	0.1
278.21994	0.3
279.23410	1.0
279.26236	0.2
288.41672	0.1
329.23080	0.2
438.42749	0.1
444.61423	0.1
452.96481	0.2
466.61914	0.1
783.32892	0.2
788.38464	0.7
788.52405	0.3
789.40369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.4
58.00468	1.6
59.01251	17.0
61.98704	12.1
69.03323	2.0
69.64108	0.8
71.01252	38.7
72.99163	1.7
73.02821	4.9
74.15937	0.9
78.95773	1.7
80.02554	1.8
81.03335	3.1
83.01261	2.3
83.04882	7.8
84.02045	1.2
85.02818	9.6
87.00752	3.9
89.02329	8.6
95.01284	2.0
95.04922	3.4
96.95287	1.8
96.95892	26.4
96.96838	1.5
97.02823	3.4
97.06455	4.7
98.95425	1.1
99.00770	2.2
99.04407	1.4
101.02320	10.3
106.04105	1.0
109.06479	6.5
110.03607	1.9
111.08074	0.9
113.02327	7.6
116.92744	2.5
119.03364	2.3
121.06528	1.1
125.02335	4.1
125.09610	4.2
127.11173	3.0
133.04971	1.4
135.08037	2.0
137.09558	1.6
139.07538	1.4
143.03387	1.0
145.04988	1.7
149.09619	1.0
151.11290	1.0
155.10667	3.9
161.04498	4.7
163.11188	10.7
165.12778	4.8
167.10582	1.2
169.01343	1.9
169.12317	1.6
171.10184	74.4
172.10539	2.8
179.05533	2.3
179.10703	2.1
181.12254	3.7
183.13828	5.8
185.11777	5.2
189.09163	1.7
191.10666	1.7
193.12282	1.9
195.49094	1.0
197.11766	13.8
198.12050	1.5
198.19269	1.0
199.13402	1.6
201.11253	22.0
207.10213	19.2
209.11775	100.0
210.12146	6.6
211.13332	27.8
212.13673	1.7
215.12822	1.7
221.11754	4.2
225.11287	41.8
226.11670	3.0
227.12840	13.4
228.13004	0.9
229.14397	14.4
230.14748	1.7
235.08209	12.8
239.12807	2.4
243.12358	1.7
252.09862	1.1
253.09270	33.1
254.09653	1.6
291.19589	7.1
307.19260	2.7
309.20648	10.5
325.20056	1.1
327.21750	89.1
328.22104	8.8
397.13675	5.3
407.19205	2.4
415.14566	1.7
443.19254	1.4
461.20364	9.1
462.20508	1.3
479.21402	1.8
481.31723	1.2
545.29333	1.4
563.30884	2.3
712.77478	1.1
724.50989	1.0
771.41296	3.8
772.42719	1.4
789.42987	6.6
790.43256	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	787.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.6
59.01249	4.8
61.98697	12.6
63.99110	0.4
69.03314	1.1
71.01258	5.6
71.04872	0.6
73.02818	1.0
75.00768	0.5
78.95770	5.5
79.95613	3.1
80.02554	1.0
80.96394	1.4
81.03332	1.8
83.01237	0.6
83.04889	5.0
84.02036	3.3
85.02834	2.3
87.00740	1.1
89.02318	3.8
90.91395	0.3
94.97915	0.5
95.04899	1.1
96.95885	82.3
96.96786	7.4
97.02828	1.4
97.06474	4.5
97.95787	0.4
98.02286	0.4
99.00736	0.7
99.04413	1.1
101.02318	4.4
109.06464	1.2
113.02341	2.7
119.03402	1.1
125.02355	0.9
125.05977	0.7
125.09610	0.9
128.90111	0.4
129.01805	0.8
135.08066	1.1
137.09575	0.4
145.04933	0.6
151.11226	0.5
161.04465	1.6
163.11218	4.2
165.12778	2.4
169.01341	1.0
171.10164	10.6
175.11140	0.4
179.05513	1.1
181.12189	0.9
183.13852	1.3
185.11717	0.6
191.10739	1.4
193.12234	6.1
197.11742	1.1
199.13237	0.8
201.11105	0.5
203.10422	0.3
207.10172	0.8
209.11760	100.0
210.12108	5.9
211.13364	4.2
221.11656	0.8
225.11504	1.8
225.14902	9.2
226.15280	0.6
227.12836	12.8
228.13020	0.8
235.08191	6.5
241.14296	0.7
243.15964	3.6
253.09248	16.1
253.14534	0.8
254.09735	0.6
291.19595	1.4
305.20837	0.4
309.20605	0.7
323.22220	1.1
325.20279	0.9
341.23291	67.3
342.23654	6.7
357.22449	0.5
365.23322	0.6
445.20746	1.5
463.21765	0.7
467.84338	0.4
533.34607	2.5
577.32483	1.7
612.35876	0.4
642.27271	0.4
727.60822	0.4
769.39783	0.6
787.39917	1.8
788.39630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.9
55.61356	0.7
57.03311	1.0
59.01246	8.3
61.56196	0.8
61.98386	1.5
61.98698	27.4
67.86494	0.8
69.03323	1.7
71.01243	10.2
71.48823	1.1
72.99169	1.0
73.02824	1.7
78.95790	1.4
79.95610	3.7
80.91520	1.3
83.01257	1.2
83.04882	1.6
84.02026	4.3
85.02814	2.5
87.00741	3.4
89.02313	3.5
96.95886	81.2
97.02843	1.9
97.06471	7.2
97.81782	0.9
99.00723	1.6
99.04415	1.3
101.02328	6.5
109.06533	1.3
111.07993	1.9
113.02312	3.9
114.93269	0.8
116.92734	2.4
119.03358	1.1
125.02281	1.4
125.09586	1.7
137.09589	1.5
145.04953	0.8
149.85399	0.9
161.04446	3.1
163.11130	1.8
165.12781	7.5
169.01234	1.1
169.12241	2.9
171.10178	18.5
172.10583	1.2
175.11110	1.3
179.05513	1.0
183.13820	100.0
184.14142	5.6
185.11760	1.7
193.12274	9.4
197.11703	3.0
199.13322	2.5
207.10234	0.9
209.11790	10.9
211.13365	7.6
221.11772	1.0
225.11299	1.7
225.14912	13.6
226.15211	0.9
227.12796	6.5
235.08118	4.4
243.16037	6.5
253.09200	9.3
291.19626	2.1
309.20715	2.8
341.23297	37.8
342.23602	4.3
419.23380	0.9
444.73254	1.1
445.20834	2.0
463.21805	3.6
499.22128	1.0
503.87720	0.9
512.29761	1.2
577.32800	1.0
657.35242	1.8
769.41132	2.1
787.44818	90.2
788.45099	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.3
61.98703	25.2
66.39204	1.1
70.20338	2.8
70.20741	2.3
71.01248	12.4
71.01846	1.3
73.02847	1.5
75.02573	1.1
78.95763	1.2
81.03326	1.6
83.04916	5.9
85.02796	3.2
87.00769	3.0
88.00517	1.3
88.98698	2.2
89.02324	4.3
96.95889	4.3
97.02863	1.6
97.06474	1.3
101.01298	1.3
101.02328	5.5
104.80270	1.1
111.08034	8.3
113.02317	4.0
116.92735	2.1
135.08009	1.2
136.75996	1.1
161.04495	2.4
163.11201	3.2
165.12810	3.5
169.12238	4.6
171.10184	5.5
173.56664	1.3
179.05537	1.7
181.12245	1.8
183.13983	1.7
191.10741	2.0
197.11754	39.6
198.12119	1.7
199.13370	6.4
201.11130	1.7
203.58766	1.3
207.10222	1.7
209.11768	100.0
210.11993	5.7
211.13354	11.8
225.14828	1.7
227.12801	16.7
235.08217	3.5
249.14890	4.0
253.09256	16.0
259.15439	5.3
263.20038	2.2
289.17850	1.7
291.19598	12.9
297.88138	1.1
309.20715	44.0
310.21133	2.8
341.23386	5.3
386.03436	1.3
397.13754	1.3
445.20499	2.3
450.48611	1.3
545.30103	1.5
569.79224	1.5
787.42297	1.7
806.02484	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	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44714	0.2
61.98701	100.0
62.98408	0.2
71.49017	0.3
78.95756	0.2
80.96373	0.4
84.38990	0.2
93.89281	0.2
138.48831	0.2
143.70361	0.2
171.10239	0.2
191.68697	0.2
201.11412	0.2
207.78299	0.2
209.11765	0.2
277.21744	0.3
293.21234	0.2
295.22928	0.2
376.98370	0.2
479.93576	0.2
517.75879	0.2
518.60626	0.2
786.38190	0.3
787.39728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.3
61.98701	53.7
62.69938	1.0
63.96115	2.6
65.24116	1.4
71.01256	11.2
71.49303	1.6
72.58145	1.0
73.02808	1.9
78.95802	1.4
78.98459	7.5
79.95599	18.4
80.96388	95.2
85.02834	3.0
87.00732	3.6
94.43385	1.3
94.97961	21.6
96.95898	2.0
97.02836	2.7
97.93391	1.3
101.02327	3.2
105.28905	1.2
106.97965	4.4
122.97464	3.6
125.02333	4.5
128.90558	1.2
132.66953	1.1
134.97458	7.8
136.98979	1.2
137.74205	1.0
148.99063	6.9
152.98595	8.6
164.98543	13.4
171.10173	1.7
172.96632	1.1
195.73659	1.1
195.96098	1.1
206.99673	3.3
209.11743	3.5
225.00714	24.1
277.21649	3.0
279.23245	2.4
292.19269	1.2
295.22696	3.6
416.38358	1.6
517.30115	1.6
559.25903	1.7
714.43042	1.5
787.39349	100.0
788.39697	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	786.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.0
60.92327	0.1
61.98702	100.0
62.98407	0.2
62.99140	0.1
70.97409	0.1
70.97724	0.1
71.01273	0.1
79.95584	0.0
80.96394	0.3
82.95957	0.1
94.97986	0.1
98.22614	0.0
137.28632	0.0
150.81334	0.0
209.11824	0.2
210.12102	0.1
225.00870	0.1
227.76990	0.0
277.21796	0.2
278.22031	0.1
279.23230	0.1
295.22977	0.1
311.22330	0.1
442.25903	0.0
664.96423	0.1
786.50397	0.1
787.39154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.4
61.10439	0.6
61.98699	4.9
71.01265	4.1
71.28667	1.2
73.02834	1.2
78.98457	0.7
79.95605	2.2
80.80603	0.5
80.96387	13.0
80.98061	0.7
81.95167	1.0
82.95973	6.4
82.96810	0.9
87.00773	0.7
89.02318	1.8
94.97935	3.0
95.36836	0.6
96.97549	1.8
101.02304	1.6
107.48756	0.6
113.02311	1.0
125.02358	0.8
134.97435	1.2
136.99132	0.6
148.99098	0.6
153.12759	0.9
161.04469	0.9
164.98540	1.6
166.98175	0.9
169.12253	6.2
197.11760	100.0
198.12070	4.9
206.47719	0.6
209.11736	2.9
217.37944	0.6
225.00670	2.9
226.00946	1.1
227.00398	1.1
235.08162	1.1
253.09274	5.1
255.23242	0.6
277.21719	50.8
278.22134	5.3
279.23331	3.3
415.19733	1.6
433.20728	8.3
434.21173	1.0
593.19623	0.7
741.39722	1.5
767.40704	1.0
785.42407	23.4
786.42981	3.8
786.55487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	100.0
62.98394	0.2
62.99143	0.1
70.97511	0.1
78.90507	0.1
79.95604	0.2
80.96379	0.5
94.97960	0.1
108.64816	0.1
204.04739	0.1
209.11839	0.1
210.12093	0.1
225.00809	0.1
261.55850	0.1
276.63068	0.1
277.21710	0.1
278.22055	0.2
279.22806	0.1
279.35489	0.1
405.47696	0.1
701.59772	0.1
730.94861	0.1
787.40009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	7.4
61.98704	7.3
62.10459	0.9
62.38755	0.9
68.59483	0.8
69.03316	1.6
71.01254	6.1
71.49139	1.9
75.00727	2.2
83.04871	1.3
85.02815	2.6
87.00756	1.2
89.02325	2.9
89.72813	0.9
95.01249	1.1
96.77943	0.9
96.95860	1.6
97.06524	1.2
99.00748	1.5
101.02328	3.3
103.37780	1.2
109.06467	1.6
111.08025	4.9
113.02325	3.9
116.82664	0.9
116.92735	2.6
119.03313	1.1
121.02846	93.7
122.03166	3.8
125.02351	1.6
125.24656	0.9
153.12773	1.3
161.04449	1.2
163.11217	2.3
163.61749	1.1
165.01859	1.8
169.12267	6.9
171.10103	1.5
181.06461	3.2
191.03380	1.6
197.11766	100.0
198.12088	5.7
199.13339	2.6
207.10239	2.5
209.04501	56.6
209.11761	8.0
210.04834	3.9
211.13400	6.3
225.05598	1.3
227.12814	1.6
235.08150	5.3
245.20119	1.1
251.16774	1.1
253.09256	11.7
263.20197	1.6
265.18112	1.1
291.19650	9.4
293.21210	3.0
297.36923	1.1
301.94119	1.0
307.19055	1.3
309.20721	30.3
309.24335	1.8
310.21030	2.4
313.07074	2.1
316.99313	1.2
341.23273	3.3
345.03934	1.1
357.06119	1.9
401.08829	8.1
433.20871	6.0
502.82309	1.2
545.29327	1.4
668.40851	1.1
725.40918	1.2
753.40332	5.9
785.15961	1.1
785.43127	8.7
786.43024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.4
57.03315	2.2
58.00455	2.2
59.01247	29.6
61.98705	20.5
69.03313	2.3
71.01255	23.2
72.43397	1.1
72.99171	3.1
73.02817	3.7
75.00748	2.1
81.03326	1.9
83.01254	3.2
83.04889	3.3
85.02817	5.8
87.00752	7.8
89.02316	22.9
95.01264	1.9
96.95869	5.1
97.02815	3.2
97.06451	1.6
98.20550	3.5
99.00755	1.9
101.02318	15.4
101.65075	1.1
108.65188	1.0
109.06426	2.0
111.00740	1.4
111.08078	1.0
113.02319	11.7
119.03358	4.1
125.02336	6.5
131.03329	1.9
135.07997	1.6
137.09590	1.4
143.03421	1.6
161.04445	2.9
165.12767	1.4
169.01399	1.1
171.10211	1.0
171.95230	1.1
179.05554	9.1
183.13817	4.2
197.11772	1.4
203.14336	1.5
207.10150	1.9
209.11734	4.4
211.13342	3.8
213.14870	1.5
221.06596	4.0
231.17540	2.1
235.08147	2.6
239.16466	2.4
253.09198	1.9
275.16498	2.2
277.18195	1.4
289.17905	1.0
315.26913	1.5
317.28497	1.6
325.25317	5.8
341.24741	2.9
343.26410	6.2
351.23209	2.1
359.26141	6.1
361.27295	4.0
369.24307	8.3
371.00131	1.1
377.26904	1.3
387.25372	16.4
388.25644	1.6
397.13403	10.6
405.26437	35.2
406.26822	4.1
623.34436	1.8
767.39600	2.2
785.39655	100.0
786.40070	21.2
819.48578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	2.8
58.00474	1.1
58.71632	1.0
59.01248	29.4
61.48280	0.9
61.98701	29.5
68.31635	1.2
69.03319	2.5
71.01248	31.0
72.99167	2.7
73.02803	4.0
75.00726	2.2
78.91757	1.9
81.03316	1.5
83.01239	3.2
83.04865	1.8
85.02829	8.1
87.00751	7.8
88.77657	0.8
89.02312	21.0
95.01251	2.5
96.95861	1.6
97.02813	3.6
99.00745	1.8
99.04400	1.5
101.02318	17.0
105.33189	1.0
109.06426	1.7
111.00807	1.3
111.08033	1.3
113.02319	10.8
119.03358	4.4
125.02344	7.7
133.06468	0.9
135.08043	2.0
137.09550	1.1
143.03387	2.2
161.04430	3.9
163.11133	1.0
165.70206	1.0
169.12096	1.2
171.10158	1.9
179.05486	8.3
193.57576	1.0
197.11725	1.6
209.11702	4.4
211.13271	5.7
213.14851	1.6
221.06514	3.9
224.56749	1.0
225.11319	1.8
235.08138	3.5
237.14944	1.3
239.16464	2.3
240.90604	1.2
249.14612	1.1
253.09169	2.8
265.18130	1.6
291.19415	1.3
293.21274	1.1
306.24338	1.0
306.28452	1.1
315.26846	3.2
317.28448	1.2
325.25351	6.4
341.24619	3.2
343.26248	4.8
351.23065	2.0
359.25970	5.6
361.27158	2.0
369.24234	7.0
370.25113	1.2
377.26859	1.9
387.25327	18.9
388.25562	2.1
397.13391	10.2
405.26413	37.0
406.26767	4.7
453.90347	1.1
479.29822	1.3
750.97809	1.3
753.39893	1.2
767.39093	1.8
785.39606	100.0
786.39819	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	15.9
61.68319	0.6
65.03812	1.1
70.82607	2.2
81.03314	1.1
83.01250	3.2
93.03327	2.7
95.04895	1.9
105.03346	4.5
107.04890	2.5
109.02831	7.4
111.04391	1.1
121.02864	5.9
123.04388	1.5
124.01532	1.4
125.02332	100.0
126.02670	2.5
130.04158	0.7
131.04919	2.9
132.02086	1.6
133.02824	4.6
135.04391	0.8
137.02333	17.7
137.03339	1.2
139.03944	3.4
145.02751	1.1
145.06493	0.8
147.00742	1.2
147.04413	1.1
149.02347	8.8
149.06030	0.8
151.03917	10.1
158.03615	0.9
159.04398	1.6
160.01500	1.2
160.65491	0.7
161.02339	16.9
162.02863	0.8
163.00296	4.6
163.03911	3.2
164.01044	2.4
165.01810	5.3
166.02483	1.1
167.03430	3.3
169.06458	0.9
171.04416	1.7
173.05945	1.4
174.03151	0.9
175.00288	2.5
175.03911	18.6
176.00916	1.0
176.04369	1.2
177.01849	85.1
178.02193	4.6
179.03455	2.3
183.04457	1.3
185.02423	0.8
185.12367	0.7
187.03897	3.0
189.01883	1.7
189.05597	1.1
190.02667	0.7
191.03481	2.8
193.05022	3.1
197.05972	1.6
199.03908	6.1
201.01865	2.6
201.05508	2.1
203.03497	3.4
205.05116	0.9
211.03940	1.7
212.04572	0.9
213.05603	0.8
215.03441	2.7
217.01543	1.0
217.05009	8.5
219.02885	4.7
219.06493	2.1
221.04446	1.5
225.05534	0.9
227.03525	3.2
228.04164	0.7
229.01399	3.7
229.05046	2.7
231.02902	0.9
233.04433	0.8
239.03320	0.8
241.04927	1.6
243.02962	19.2
244.03203	1.6
245.04453	1.5
249.05316	0.7
253.05168	0.8
255.03000	11.5
256.03619	3.0
257.04495	1.6
261.03989	8.7
261.07889	1.4
269.04587	7.6
273.04053	6.4
282.01782	0.8
283.02499	4.9
284.02802	1.0
285.04135	3.8
287.02341	1.4
287.05554	14.4
288.02716	0.8
288.06030	0.8
295.02670	0.8
295.06244	0.8
297.03970	3.5
301.03503	4.2
303.05038	8.1
305.06641	15.9
306.07016	1.8
313.03528	2.6
315.05051	1.8
327.05081	1.9
337.07120	1.0
379.08255	2.0
387.05118	2.0
397.08911	1.2
405.06161	6.7
423.07208	61.4
424.07553	9.4
439.06744	2.0
440.08081	0.8
441.08200	3.2
442.08633	0.9
447.06961	1.0
453.08322	1.9
465.08270	5.8
481.11432	3.0
483.09320	4.5
551.30334	0.8
591.11542	5.4
592.11334	1.2
596.58173	0.9
599.12024	2.8
600.11975	0.9
609.12500	5.7
610.12988	0.8
617.12958	5.4
618.13300	1.7
659.14551	1.1
663.52014	0.8
785.16785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
60.99185	0.2
61.98700	100.0
62.98399	0.1
70.20438	0.1
71.01269	0.1
71.48652	0.1
72.99175	0.1
75.00773	0.1
85.02834	0.1
88.98678	1.0
89.02310	0.1
96.95889	0.2
97.34788	0.1
99.54914	0.1
124.01572	0.1
125.02359	0.1
126.90334	0.2
147.57468	0.1
162.62965	0.1
169.01392	0.1
171.10178	0.2
173.59938	0.1
183.44341	0.1
209.11665	0.4
211.13397	0.1
214.02658	0.1
215.03026	0.1
225.11275	0.1
227.12921	0.1
242.02238	0.1
243.03012	0.1
253.09271	0.1
260.02960	0.1
270.01874	0.1
271.02444	0.5
272.02863	0.3
287.01941	0.3
288.02438	0.1
300.02640	0.1
316.02228	1.0
317.02463	0.7
318.02866	0.1
327.21896	0.1
410.57684	0.1
422.03983	0.1
461.20697	0.1
499.20401	0.1
548.11377	0.3
591.71753	0.1
694.14990	1.0
695.15485	0.1
754.45227	0.1
785.40057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03283	0.4
59.01258	2.6
63.02262	0.6
65.00214	0.8
70.97749	0.9
71.01257	3.6
73.02805	0.4
78.56122	0.4
83.01246	0.8
85.02819	0.8
87.00754	7.9
94.25360	0.4
107.01272	1.5
109.02847	0.9
111.00764	0.7
115.00262	11.3
124.01570	1.9
125.02330	2.1
135.00764	0.7
137.02324	2.5
139.00241	0.7
145.02841	0.5
148.28539	0.4
151.00275	7.5
152.01027	0.7
161.02222	0.4
163.00291	1.4
164.01082	1.8
169.01355	1.9
175.02408	12.0
175.03896	0.8
176.02588	0.5
177.01794	0.8
178.99767	7.0
187.03850	0.8
192.00674	0.6
193.01286	0.4
199.03828	0.5
203.03377	1.1
204.04182	0.4
214.02679	5.3
215.03288	0.5
226.67310	0.4
227.03429	1.1
232.03561	0.5
242.02145	4.5
243.03021	2.2
244.03404	0.6
255.03230	0.4
259.02487	5.0
270.01718	6.4
271.02466	31.5
272.02893	2.7
287.01981	18.2
288.02533	3.2
315.01318	0.8
316.02225	100.0
317.02859	20.4
318.03506	0.8
341.12872	0.4
370.92514	0.4
463.08801	19.9
464.08978	1.7
609.12469	85.8
610.12769	13.5
639.13440	1.6
667.13007	1.2
685.13904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13806	0.1
59.01257	0.3
60.99179	0.4
61.98702	100.0
66.75507	0.1
69.23988	0.2
71.01263	0.2
72.99187	0.4
75.00741	1.7
80.96397	0.3
88.98685	1.9
89.02367	0.2
96.95892	0.2
104.10143	0.2
125.02348	1.3
137.02332	0.2
138.54144	0.1
167.03482	0.2
169.01355	1.3
177.78871	0.2
189.95464	0.2
209.11821	0.6
211.13313	0.4
212.13855	0.2
224.88023	0.2
227.12807	0.2
239.72150	0.2
466.25671	0.2
481.64493	0.2
601.86517	0.2
782.35645	0.3
783.37036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.5
57.63011	0.5
59.14818	0.3
59.58213	0.4
67.01756	0.5
69.03310	1.5
70.40124	1.0
70.40482	0.8
78.95777	0.5
81.03342	0.7
83.01250	0.7
86.58749	0.3
95.01252	0.7
95.38509	0.4
97.02802	1.6
105.03351	0.6
107.01270	0.6
109.02822	1.5
119.04906	0.9
123.00768	0.6
124.01543	0.8
125.02329	73.4
126.02661	1.5
137.02316	2.4
139.03845	1.1
149.02419	0.6
151.03885	0.5
156.81940	0.5
161.02339	4.7
163.03854	0.6
164.01060	0.4
165.01833	1.3
167.03378	1.2
169.01328	100.0
170.01656	2.3
176.43143	0.5
177.05562	0.6
178.99715	0.5
179.03409	1.2
192.35403	0.5
193.01361	1.6
201.05531	0.4
205.01183	0.5
219.06488	0.7
221.04416	0.7
242.08487	0.5
261.07523	0.6
269.04550	1.2
287.05502	1.7
305.06616	5.1
331.04425	1.5
372.32932	0.4
457.01324	0.6
457.07718	11.0
458.07983	1.4
477.69089	0.4
522.06854	0.5
710.45929	0.4
713.48053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.2
61.98707	9.7
70.03976	1.4
71.01255	3.2
71.08508	1.3
71.20330	3.2
73.90932	1.4
78.36502	1.5
89.02320	4.1
101.02353	2.8
113.27651	1.6
125.02346	2.7
138.62079	1.6
152.45337	1.6
161.04445	2.1
169.01376	2.3
183.13818	6.4
192.32558	1.5
195.06770	1.6
195.13757	3.3
209.11766	17.3
210.15244	1.5
211.13332	100.0
212.13678	5.4
223.13373	4.0
227.12799	2.4
234.17764	1.5
235.08183	2.8
253.09224	15.2
275.20123	7.4
277.21698	12.1
293.21213	64.7
294.21542	4.2
297.11325	6.2
447.22351	7.0
474.56479	1.6
650.91235	1.6
783.43500	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	781.441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51654	0.5
59.01247	0.8
63.96106	2.2
67.61897	0.4
68.96153	0.4
69.03336	1.0
71.01253	10.5
73.02817	2.4
78.98465	9.4
79.95605	18.5
80.40438	0.4
80.96389	100.0
81.03342	0.9
81.96385	0.5
83.01246	0.5
85.02830	3.9
87.00758	3.8
94.97960	22.7
96.95890	1.8
97.02815	2.0
99.00739	0.6
101.02318	3.1
106.97967	4.5
112.28841	0.5
113.02331	0.5
122.97467	4.8
125.02333	3.6
127.03908	0.8
132.10368	0.5
134.97472	6.6
136.99040	1.3
146.97607	0.6
148.99060	6.8
152.98532	6.2
164.98538	15.3
182.99619	0.6
206.99649	3.6
211.13322	2.2
225.00700	20.3
255.23297	1.7
283.04825	0.5
403.30267	0.6
517.49048	0.5
525.20087	2.7
537.27216	1.4
749.41772	1.0
781.44110	86.3
782.44415	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	781.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72780	0.7
57.24265	0.6
59.01235	0.9
61.98707	0.7
63.96109	2.5
69.03349	1.2
71.01254	10.6
72.31253	0.6
73.02822	2.0
78.98461	8.3
79.95606	17.5
80.96388	100.0
83.01234	0.7
85.02821	4.0
87.00753	4.0
87.37693	0.7
94.97960	23.0
96.95875	1.4
97.02831	1.6
98.20695	1.6
101.02322	2.2
101.61471	0.6
106.97962	4.9
113.02298	1.0
116.50266	0.6
122.97477	5.8
125.02357	4.1
127.03902	1.1
134.97479	5.7
136.99075	0.8
148.99068	8.0
152.98518	5.9
164.98547	14.0
167.00139	1.1
198.71542	0.6
199.34978	0.6
206.99626	2.8
211.13351	2.3
212.56793	0.6
224.98450	1.0
225.00708	18.3
226.01054	0.8
250.00497	0.7
255.23303	1.8
525.20209	1.9
537.27533	1.5
781.44080	86.9
782.44373	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.441
Annotation	lugdunin
Peak:m/z	Relative Intensity
57.01381	0.5
57.25047	0.6
59.63004	0.5
63.96095	2.6
69.03320	0.8
69.31367	5.0
71.01252	11.3
72.99149	0.6
73.02808	1.9
78.98460	9.4
79.95601	15.7
79.96041	1.1
80.96387	100.0
81.03333	0.9
85.02816	4.3
87.00755	3.5
91.70277	0.6
94.97961	22.6
96.95899	2.0
97.02811	1.6
101.02292	2.8
106.97965	4.4
122.97471	4.2
125.02345	5.3
127.03859	1.5
134.97481	6.0
136.99026	2.1
145.82475	0.5
148.99037	8.9
152.98528	8.6
164.98540	16.8
189.89970	0.6
201.68092	0.6
206.99652	2.8
211.13373	2.8
225.00694	28.0
226.01071	0.8
255.23277	1.7
322.96997	0.6
346.63538	0.7
457.60645	0.7
525.19739	3.1
537.27429	1.7
599.23859	0.7
749.41541	1.2
781.44086	100.0
782.44366	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.1
61.98701	9.5
69.03323	2.8
70.40240	3.3
71.01247	4.6
77.11119	1.0
79.95609	2.4
80.96389	7.1
84.10607	1.0
85.02846	1.6
89.02319	2.9
94.97945	1.7
98.19938	1.1
101.02336	4.0
113.02352	1.6
161.04404	1.8
167.10667	2.5
179.14325	3.2
195.13847	11.5
205.12289	11.3
223.13339	100.0
224.13690	8.4
225.00706	2.7
235.08109	1.1
253.09238	8.9
277.21710	82.1
278.22012	7.0
441.21237	2.8
459.22272	15.0
460.22720	1.8
719.43787	2.0
738.13208	1.4
776.47534	1.4
779.39398	9.0
780.39526	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	781.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.5
60.99160	5.6
61.98700	19.5
71.01254	3.7
72.99179	6.6
75.00740	3.7
80.96375	1.7
81.03345	1.9
81.44843	1.2
83.04876	3.4
85.02866	1.3
87.00741	2.2
88.98679	34.2
89.02297	5.0
89.34174	1.1
94.23904	1.1
96.95874	1.3
100.55059	1.4
101.02361	2.5
108.06032	1.2
113.02309	2.7
123.00813	1.9
123.67551	1.2
125.02316	3.4
127.08926	1.5
129.01807	1.3
155.66035	1.3
161.04486	1.5
163.11176	4.4
165.12866	1.5
169.01306	4.1
171.10155	1.8
176.50183	1.4
183.13911	6.2
191.68814	1.3
193.12265	2.3
209.11772	94.9
210.12128	6.2
211.13336	100.0
212.13615	7.2
227.12831	16.5
235.08269	3.1
252.29756	1.2
253.09238	6.8
445.20615	4.9
447.22440	10.0
485.16547	1.3
639.33588	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	781.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01217	1.8
61.98709	2.0
63.39990	0.9
63.96106	1.6
71.01251	10.3
73.02804	1.1
73.27190	0.8
78.98463	8.8
79.95611	14.7
80.96389	87.5
84.24669	0.9
85.02820	4.2
87.00771	2.5
94.97962	20.8
96.95882	1.9
97.02823	1.2
101.02316	2.9
106.97952	3.4
122.97461	3.4
125.02332	3.0
127.03900	1.0
134.97485	5.7
136.99048	1.8
148.99028	6.5
152.98540	7.2
164.98537	15.0
206.99617	3.6
211.13333	2.2
225.00700	20.7
255.23306	1.9
301.89471	1.0
326.38528	1.0
525.20056	2.1
537.27057	1.4
601.92896	1.2
781.44086	100.0
782.44263	23.0
794.73608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51720	0.6
63.02254	1.6
65.00208	1.0
69.74714	2.0
69.75110	1.2
73.34561	0.6
74.09167	0.6
80.73730	0.7
82.80904	0.6
89.00169	0.7
98.19808	1.0
107.01272	0.7
114.66673	0.6
115.05381	1.0
116.17686	0.6
125.02334	2.3
131.04953	0.7
133.02864	0.7
135.00755	1.4
143.04933	1.3
145.02829	0.8
147.04445	0.7
149.02350	1.4
151.00270	2.8
159.04411	1.8
163.00314	0.7
164.01073	0.7
169.02841	0.7
171.04419	2.0
173.02293	1.6
175.03903	0.8
178.99820	0.9
185.02338	0.9
187.03908	3.6
191.03471	0.9
197.02376	1.0
199.03996	0.7
203.03400	3.6
213.01863	3.1
214.02626	1.3
215.03397	3.6
217.01331	1.2
231.02960	2.7
241.01305	3.2
242.02274	1.7
243.02887	3.6
259.02426	9.6
271.02524	5.2
280.27411	0.7
287.01978	50.8
288.02512	3.3
306.07681	0.6
308.54349	0.8
312.60770	0.6
315.01468	100.0
316.01965	16.5
317.02719	2.5
356.56354	0.7
463.08890	10.0
464.08987	1.2
562.36755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.5
60.99177	17.5
61.98696	5.8
71.01250	0.5
72.99194	0.8
80.96371	0.5
87.00751	2.8
88.00259	2.1
88.98675	100.0
89.02312	12.8
89.02850	0.9
89.99016	1.3
116.92739	0.6
125.02329	0.7
163.11142	0.6
169.01346	1.4
171.10211	1.5
209.11720	3.5
210.12151	0.6
211.13274	1.4
220.09355	0.4
227.12944	0.8
229.62764	0.6
253.03180	0.5
273.17041	0.6
464.07166	0.6
512.93805	0.5
694.15125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82956	4.3
61.98692	8.3
62.43368	4.2
62.46936	4.6
66.54461	4.4
70.26205	4.4
72.64082	4.4
85.92131	4.3
98.20561	15.6
99.69018	4.8
100.94385	4.9
119.04952	4.8
125.02243	6.1
145.02867	15.2
146.03250	4.8
167.07056	8.5
201.11232	22.1
209.11752	64.8
210.12170	7.1
227.12796	29.0
235.08192	8.0
253.09224	16.7
264.60757	5.7
277.21719	100.0
278.22079	11.1
287.22400	6.8
419.19089	5.5
445.20642	7.8
463.21808	10.2
496.82126	4.9
526.98602	5.0
723.43390	8.2
777.41089	13.1
777.53094	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	777.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	7.7
60.25611	4.2
70.82576	9.6
70.82880	7.1
74.58233	4.5
83.01283	7.8
84.12144	4.3
90.69218	5.4
108.71671	4.7
109.02815	6.8
111.00723	27.5
121.02792	6.3
123.00771	14.8
125.02339	100.0
126.02632	5.1
133.02849	8.0
137.02345	23.4
139.00291	27.3
141.01833	12.1
149.02286	9.3
151.00325	8.1
151.03912	19.4
153.01848	9.8
159.04445	5.9
161.02344	19.9
163.00275	5.7
165.01820	10.6
166.99771	14.4
167.03406	9.1
169.01317	18.6
175.00275	6.7
175.03909	15.1
177.01868	88.4
177.05537	5.5
178.02184	7.5
179.03401	4.5
180.14110	4.0
182.99255	21.1
185.00830	12.4
189.02013	5.6
191.03387	6.2
193.01379	12.1
199.04051	7.3
201.01909	7.3
203.03392	6.6
217.04991	8.4
219.02945	11.2
233.04295	5.2
243.02959	14.7
255.03024	8.7
259.02383	12.4
261.03897	8.6
269.04584	9.7
279.18405	5.6
285.03958	6.7
301.03503	14.8
303.04971	11.8
305.06546	8.2
319.04333	5.8
321.05984	6.8
411.00504	5.0
421.05377	11.3
423.07397	26.9
439.06381	33.3
440.07050	6.1
457.08029	7.3
465.08047	5.6
607.10956	6.6
641.02258	4.9
782.72870	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	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	10.2
71.48882	1.8
78.95777	6.9
79.95587	3.1
84.01261	1.2
96.95885	100.0
96.96783	8.0
125.02338	1.4
197.11667	1.4
209.11681	1.6
211.13344	11.4
240.44595	1.3
291.19766	2.0
309.20709	3.1
368.43454	1.4
411.93039	1.2
447.21936	1.9
527.48383	1.7
775.40308	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	775.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43243	20.9
61.98690	51.0
69.99651	100.0
94.63034	21.0
148.30562	20.5
154.38539	21.8
211.13391	30.0
237.71411	21.8
286.23175	21.1
382.02515	24.8
665.24939	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	3.9
69.56915	0.8
69.91044	2.9
85.31469	0.9
99.08081	1.4
117.03345	27.5
119.04913	37.5
121.02863	5.0
123.04404	1.6
133.02788	1.5
145.02853	100.0
146.03172	4.9
162.03104	1.2
163.03928	20.8
171.10208	1.3
201.11461	0.9
219.06529	3.7
225.11377	1.0
267.19620	3.3
277.21796	2.0
285.20731	7.1
287.19049	1.3
287.22253	26.5
288.22604	2.4
291.19720	1.2
299.31628	0.9
413.23294	26.2
414.23633	3.3
431.24353	9.5
432.24634	1.9
447.75885	0.9
487.26974	15.3
488.27600	2.5
505.28024	14.4
506.28305	1.6
775.50031	75.0
776.50323	25.1
793.04333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07136	0.8
59.01229	1.3
61.98694	2.0
69.19373	3.3
69.19800	5.5
80.96368	1.3
109.91515	0.8
117.03344	25.5
118.03630	1.0
119.04906	33.1
120.05249	1.3
121.02860	4.5
125.02316	2.0
133.02824	1.4
133.36642	0.8
134.03650	0.8
140.53087	0.8
141.12698	1.3
145.02849	100.0
146.03151	2.5
162.03098	1.2
163.03920	18.2
169.01311	1.4
171.10188	1.3
201.17192	1.0
219.06512	2.8
249.18587	1.2
253.09406	0.9
267.19681	2.7
269.21320	1.0
277.21664	2.3
285.20740	5.8
287.22275	24.5
288.22491	1.1
345.24429	0.9
388.08676	0.9
413.23267	22.6
414.23523	2.5
431.24405	11.6
432.24887	1.7
487.27036	10.6
488.26953	1.0
505.28091	13.7
506.27908	1.2
550.74524	1.1
658.90381	1.1
775.49957	87.7
776.50391	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	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.8
61.98697	36.9
70.05383	4.4
80.96395	5.6
90.68097	4.0
96.95877	5.7
98.19823	12.3
116.92733	7.8
118.35995	5.3
125.02305	6.0
160.78061	4.1
171.10201	5.9
181.41838	5.1
193.34886	4.1
207.97931	4.2
209.11778	68.9
210.12082	6.5
211.13290	26.1
227.12830	23.7
229.14752	6.8
234.02551	4.0
234.78047	4.3
238.76134	4.3
253.09187	22.4
275.20172	7.0
291.19370	5.2
293.21204	100.0
297.11322	4.5
371.06436	4.7
394.89636	4.9
752.38593	5.7
775.40393	38.8
776.41425	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	775.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	1.0
71.01270	2.0
71.13217	1.7
72.99148	1.0
93.03323	2.4
96.95894	2.5
109.02841	1.1
121.02844	6.8
122.03627	10.7
123.00715	1.8
123.04413	0.9
125.02361	4.3
130.31479	0.9
135.04358	2.4
136.01564	13.6
137.02342	13.4
139.00349	0.8
149.02356	12.6
150.03128	64.1
151.00270	6.4
151.03931	17.3
163.03908	1.5
164.01083	1.7
164.04657	3.1
165.01849	54.7
165.05482	62.2
166.02618	19.9
166.05824	3.8
167.03271	3.1
169.01311	2.5
175.03917	2.2
177.01906	2.1
179.03426	15.9
180.04201	35.2
181.04967	21.4
182.05315	1.2
189.05486	1.2
190.06259	2.7
194.05728	2.2
195.06551	100.0
196.06947	4.6
205.05054	1.2
207.06595	1.4
210.05260	6.2
225.07628	36.3
226.08020	1.5
254.45790	0.8
285.03595	0.9
305.06470	1.0
321.06381	1.0
356.12512	1.1
357.09518	1.6
357.13373	4.3
359.11230	1.4
372.12146	2.6
386.13416	2.7
387.14597	30.3
388.14780	3.4
403.14136	1.3
417.15540	19.9
418.16104	2.1
457.79910	1.1
565.20709	35.7
566.20911	5.6
583.22406	1.6
595.22021	1.3
613.22833	26.8
614.23224	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	775.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71852	0.1
71.28566	0.1
79.95607	3.4
88.72648	0.1
94.03555	0.1
96.95888	100.0
97.58202	0.1
97.95852	0.5
97.96373	0.1
116.92741	0.2
151.00294	0.2
197.11642	0.1
209.11795	0.4
209.57768	0.1
210.12074	0.1
211.13304	0.3
251.48099	0.1
253.09407	0.2
255.02988	0.2
271.02518	0.3
281.90332	0.1
300.02646	0.6
310.21350	0.1
326.97983	0.1
356.99649	0.1
368.99545	0.1
396.98804	0.2
397.99640	0.1
399.00269	0.8
429.92804	0.1
620.18414	0.1
677.14771	0.2
715.09991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	16.2
71.03851	6.9
73.59167	4.8
74.46856	4.1
83.01266	4.5
95.62504	3.8
99.00778	5.6
107.96178	4.2
109.02823	11.1
111.00751	43.4
113.72004	4.2
123.00745	11.0
125.02330	81.1
126.02645	4.5
126.92649	5.0
133.02866	9.7
137.02348	25.1
139.00259	43.8
141.01820	8.9
145.02872	5.0
147.00754	5.1
147.04352	6.9
149.02335	12.7
151.00281	18.3
151.03912	12.2
153.01852	11.0
161.02295	21.9
163.00281	26.6
163.03932	5.9
164.01015	6.9
165.01857	16.1
166.99756	6.8
167.03404	8.3
169.01294	18.0
173.02318	6.9
175.00246	13.9
175.03879	15.4
176.01067	4.2
177.01836	100.0
178.02228	4.6
178.99733	6.1
181.01227	5.0
182.99274	30.0
184.00040	4.7
187.03928	10.1
189.01840	9.0
190.02596	7.3
190.99786	10.1
191.03391	18.8
193.01311	6.8
199.03946	5.9
201.01839	12.2
203.03409	9.0
211.03891	9.2
213.01895	5.7
215.03630	8.8
217.01347	13.6
217.04936	6.8
219.02979	11.0
224.61850	4.6
227.03473	10.8
229.01418	8.3
229.05016	7.0
231.02927	10.9
233.04483	6.8
243.02994	33.2
255.02986	19.7
256.90140	4.2
257.04489	10.8
259.02444	60.4
261.03931	6.8
267.02921	5.6
269.00821	6.7
269.04459	13.5
271.02423	17.2
273.04062	10.0
275.01877	5.2
283.02405	9.8
285.04022	9.9
287.01968	6.2
287.05362	5.7
289.03665	15.3
299.01907	19.7
299.05148	5.1
300.02750	6.2
301.03510	44.2
303.04965	6.1
305.06702	11.5
317.02960	26.4
319.04654	15.5
343.04477	6.9
383.70612	4.7
419.04016	13.4
420.04965	5.0
421.05472	11.2
423.07114	12.3
427.06644	13.3
437.04987	48.6
438.05637	12.7
439.06616	19.8
455.06085	16.8
456.07147	5.3
471.05627	8.3
485.06793	6.5
497.07169	7.1
587.08905	6.9
589.06262	10.2
605.09430	11.7
623.10602	15.6
785.42719	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	773.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	7.1
61.98698	8.5
71.01242	9.7
71.48986	5.1
75.84837	3.5
78.95754	3.2
80.96353	3.1
85.02828	3.9
96.95898	9.2
101.02320	4.0
104.50558	2.7
111.08080	3.6
113.02278	2.9
119.03466	3.0
125.02351	4.5
139.01074	2.9
163.11227	6.8
169.12230	6.9
171.10173	7.2
176.69295	3.2
197.11771	3.1
207.10495	3.3
209.11768	100.0
210.12126	8.4
211.13358	21.5
225.11050	3.7
227.12933	16.2
235.08371	5.8
253.09224	14.8
277.97391	3.2
291.19650	46.8
292.19968	3.8
293.21170	5.3
311.21469	3.7
335.85797	3.2
343.24936	8.5
398.49707	3.2
445.21112	4.6
509.27585	3.6
527.28210	4.2
636.41534	3.4
719.40564	4.8
773.38379	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	773.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07925	0.6
56.82762	0.6
57.03330	3.2
58.00472	0.6
59.01249	8.7
61.98697	10.6
63.48723	0.6
69.03333	3.0
71.01253	7.9
73.02809	1.8
80.91544	0.6
82.32877	0.6
82.95306	1.9
83.01273	1.6
83.02375	2.6
83.04900	2.2
84.01961	1.1
85.02822	9.4
86.59583	0.6
87.00744	2.1
88.98690	0.9
89.02309	4.0
95.01276	1.0
95.04903	1.6
96.93647	0.5
96.95885	8.8
97.02829	1.4
97.06464	4.3
97.33235	0.5
98.20671	1.0
99.00801	0.8
101.02322	7.4
111.08006	1.6
113.02354	4.0
114.90083	0.7
114.93285	0.6
116.92760	1.9
118.83874	0.6
119.03431	1.0
119.08502	0.6
125.02304	1.4
125.09615	1.5
127.11207	1.4
137.09605	2.6
143.03352	0.8
145.04918	1.0
155.10664	1.0
161.04475	2.7
163.11177	1.7
165.12766	9.0
167.14471	0.7
169.01334	1.1
169.12309	0.7
171.10175	30.8
172.10497	1.3
179.05490	0.9
181.12325	0.8
183.13828	89.2
183.33612	0.7
184.14178	5.2
185.11771	1.6
187.61278	0.7
193.12260	0.8
197.11761	2.2
199.13239	2.2
201.11284	2.6
209.11768	16.1
210.12115	2.8
211.13342	15.9
221.11801	2.1
225.11270	1.1
227.12840	7.8
228.13239	0.6
229.14395	8.3
235.08148	4.6
239.12819	1.4
253.09271	12.1
254.09627	0.8
260.87305	0.7
291.19662	3.7
304.86685	0.6
309.20782	4.4
310.20984	1.3
325.20319	1.8
326.20407	1.0
327.21732	36.0
328.22122	3.7
341.23245	0.8
445.20740	1.5
463.22009	3.6
464.21680	0.8
563.30103	1.2
773.43262	100.0
774.43555	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.4
57.03319	1.6
58.00473	0.5
59.01251	4.8
60.04827	0.3
61.98702	2.3
65.62765	0.2
69.03320	1.2
70.50562	0.8
71.01252	4.8
72.99189	0.3
73.02818	1.3
78.95738	0.4
80.02554	1.0
80.96393	0.3
81.03324	1.3
83.01261	1.1
83.04897	5.0
84.02052	0.7
85.02824	5.8
87.00746	0.9
89.02324	2.9
93.03328	0.4
95.01261	0.6
95.04912	1.1
95.36474	0.3
96.95895	4.4
96.96854	0.5
97.02850	1.0
97.06490	1.7
97.07028	0.3
99.00731	0.4
99.92458	0.3
101.02322	4.3
109.06465	0.4
113.02327	2.3
116.92751	2.7
119.03413	0.9
125.02338	0.6
125.05991	0.4
125.09592	0.8
127.11174	1.0
129.01976	0.3
133.04990	0.4
135.08072	0.8
137.09644	1.3
143.03424	0.7
145.04959	0.4
155.10703	0.7
161.04465	2.3
163.11212	3.8
165.12772	2.4
167.14116	0.3
171.10191	17.0
172.10616	0.4
179.05499	0.8
181.12247	1.1
183.13873	1.5
185.11794	0.6
191.10742	0.8
193.12280	0.4
199.13258	0.6
201.11259	0.9
209.11778	100.0
210.12120	7.0
211.13338	8.3
212.13765	0.6
221.11745	1.5
227.12849	13.7
228.13182	0.8
229.14415	5.5
230.14713	0.5
235.08197	8.0
236.08655	0.4
239.12833	1.0
247.20769	0.3
253.09268	18.9
254.09586	0.8
291.19675	3.0
309.20703	6.7
310.21008	0.7
327.21759	58.5
328.22070	6.2
399.25928	0.3
445.20715	1.7
446.20621	0.4
453.67389	0.3
519.33313	1.2
537.34094	0.6
545.29706	0.9
546.30457	0.3
563.30713	2.9
564.30890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	4.3
61.98700	17.0
70.29002	7.3
71.01257	4.0
79.95622	2.2
80.96390	3.2
83.04881	4.3
85.02803	2.0
89.02291	3.0
96.95882	26.8
96.96809	2.5
98.95427	1.9
101.02306	3.1
114.93311	2.1
116.92716	4.9
125.02310	4.7
161.04352	2.8
163.11160	3.6
165.12750	3.6
167.03401	1.8
168.71594	1.9
169.01308	7.1
171.10225	9.0
183.13818	3.7
197.11687	1.9
199.13228	2.5
209.11758	100.0
210.12099	6.5
211.13298	5.4
227.12834	25.8
228.13052	2.7
229.14337	5.5
235.08163	6.9
253.09315	16.0
291.19797	3.1
309.20740	4.9
316.02264	2.2
327.21768	38.4
328.22110	3.0
445.20682	4.1
463.22183	2.6
563.30194	2.2
625.77313	1.7
637.32269	2.4
741.06549	2.1
773.36713	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	772.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61511	0.2
59.01243	1.2
61.98702	100.0
63.99117	0.2
71.01249	1.2
73.02809	0.2
75.88026	0.2
78.95769	0.2
80.02559	0.2
80.96387	0.2
83.04906	0.4
85.02822	0.3
87.00751	0.3
89.02321	0.5
94.97965	0.3
96.95887	3.3
97.06470	0.3
98.19762	0.4
101.02340	0.6
109.06466	0.4
111.08060	0.6
113.02347	0.6
113.03492	0.2
114.93314	0.4
116.92753	0.2
119.03387	0.3
125.02345	0.6
151.11305	0.2
161.04451	0.5
163.11205	0.6
164.11555	0.3
165.12807	0.3
168.17912	0.2
169.01338	0.4
169.12291	0.2
171.10172	5.5
172.10501	0.7
179.10689	0.2
183.13808	1.3
185.11691	0.2
197.11760	3.3
198.12070	0.6
199.13370	0.7
201.11290	0.5
207.10298	1.0
209.11774	8.3
210.12141	1.3
211.13332	2.4
212.13757	0.5
223.13463	0.2
225.11299	2.7
226.11687	0.5
227.03514	0.3
227.12880	2.1
228.13344	0.3
235.08176	0.9
243.03015	0.3
243.12444	0.2
253.09294	2.4
254.09645	0.2
255.03082	0.3
271.02554	0.9
289.18115	0.5
291.19669	1.2
292.20074	0.2
299.02173	0.5
300.02795	1.2
307.19223	0.4
309.20703	2.8
310.21216	0.7
316.02325	0.2
325.20264	2.2
326.20578	0.7
327.21884	0.6
447.07068	0.5
461.20569	0.3
462.20520	0.3
463.21872	0.3
531.11304	0.5
673.34045	0.3
677.14923	1.3
753.39868	0.2
771.41711	0.6
772.42407	0.5
773.43835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.4
61.98701	0.5
66.76460	0.2
71.01260	1.1
75.92075	0.2
78.95778	7.1
79.95612	2.9
96.95890	100.0
96.96796	9.2
97.02815	0.2
97.95836	0.4
98.02358	0.7
99.00774	0.2
101.02299	0.2
103.93322	0.2
109.06524	0.2
117.49250	0.2
126.14760	0.2
171.10179	1.2
174.05157	0.2
183.13808	0.2
207.10207	0.2
209.11734	0.5
211.13377	1.9
212.13715	0.5
212.57689	0.2
225.11244	0.3
225.14885	0.2
253.09265	0.6
267.13184	0.2
277.21649	0.3
293.21469	0.2
311.22302	0.4
327.21381	0.2
341.23383	0.4
342.23804	0.4
343.24536	0.4
361.04794	0.2
397.13751	0.2
435.08246	0.4
453.09088	0.9
578.66199	0.2
706.39307	0.2
713.30499	1.1
714.31073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
56.74653	0.4
57.03320	0.8
57.29895	0.4
59.01244	5.7
61.98698	2.1
69.03314	1.2
69.22604	4.6
71.01250	10.5
71.80038	0.5
72.99185	0.4
73.02831	0.7
78.95770	2.3
79.95609	0.7
81.03323	0.9
83.01228	0.5
83.04897	1.2
84.02030	3.4
84.89023	0.5
85.02825	1.8
87.00749	1.5
89.02318	3.7
95.01272	0.5
96.95884	27.8
96.96877	1.5
97.02827	1.7
97.06454	5.7
99.00717	0.7
99.04397	1.1
101.02318	4.8
109.06470	1.4
111.08038	1.2
113.02313	2.6
119.03394	0.8
125.02369	1.0
125.09619	1.0
135.07996	0.6
137.09590	0.7
139.49863	0.5
155.10738	0.9
157.38791	0.5
161.04457	2.3
163.11128	1.0
165.12741	1.0
167.07072	1.5
167.10718	0.9
167.14398	1.1
169.12222	1.3
171.10182	15.2
172.10558	1.0
177.12564	0.5
177.89050	0.5
181.12263	0.8
183.13837	7.6
185.11751	0.8
189.72406	0.5
193.04868	0.7
193.12244	9.1
194.12584	1.0
197.11769	3.6
199.13364	1.7
201.11299	1.5
207.10187	2.2
209.11763	6.0
211.13329	100.0
212.13661	6.0
221.11723	1.0
225.11382	3.5
225.14870	10.2
226.15309	0.6
227.12837	3.2
235.08147	6.0
243.15941	3.8
253.09232	17.8
253.14519	0.9
289.18060	1.0
291.19641	4.4
297.11234	0.9
305.21243	0.9
307.19162	1.4
309.20648	2.5
323.22229	1.6
323.48660	0.5
325.20139	2.6
327.21765	0.8
341.23285	70.5
342.23639	6.5
447.22409	5.2
461.20084	0.7
513.25482	0.6
535.36292	3.8
536.36377	0.6
559.30817	0.9
565.22571	0.6
577.32166	3.4
743.13074	0.5
753.40833	0.9
771.41345	2.5
772.42664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.6
61.98700	5.0
62.82384	0.4
66.14845	0.4
71.01254	0.9
73.02805	1.8
75.00759	0.7
93.50851	0.4
99.00758	0.5
99.92455	10.0
100.92502	0.6
106.78506	0.4
113.02415	0.4
114.93310	0.5
116.92738	100.0
116.97099	3.6
117.01815	3.9
117.92736	5.5
140.40942	0.4
197.11720	0.6
207.10115	0.6
209.12083	0.4
211.13358	0.9
253.09218	0.6
309.20670	0.7
313.19370	0.6
346.29501	0.5
639.16278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.8
58.00478	1.1
59.01250	11.6
61.98708	9.9
68.99675	1.0
69.03327	2.6
71.01254	32.6
71.04868	1.1
72.99174	1.8
73.02821	5.7
75.00749	1.9
78.95791	2.1
79.12174	0.7
79.95602	0.9
81.03342	1.9
83.01244	1.3
83.04906	5.0
84.02055	2.8
84.19449	0.7
85.02822	7.4
87.00758	4.7
89.02322	6.6
95.01273	2.9
95.04914	2.8
96.95886	37.5
96.96867	2.7
97.02838	5.9
97.06455	5.6
98.78917	0.8
99.00755	3.0
101.02318	9.2
109.06486	6.8
111.04436	1.3
111.08013	4.1
112.99339	0.8
113.02327	7.1
119.03371	2.0
123.08092	1.0
125.02335	1.8
125.05978	0.8
125.09608	4.4
127.07578	0.9
127.11186	3.3
135.08029	0.8
137.09615	1.4
139.11205	0.6
143.03386	2.0
145.04945	1.4
149.09668	2.0
151.11188	2.2
153.09137	1.0
153.12752	1.2
155.10648	2.4
161.04425	4.0
161.09622	1.4
163.11200	7.4
165.09126	0.8
165.12706	4.1
167.10722	1.0
167.14352	0.7
169.01414	1.0
169.12250	2.7
171.10176	52.3
172.10518	1.8
179.05598	0.8
179.10765	1.3
181.12279	4.3
183.10185	1.3
183.13817	10.3
185.11745	3.7
189.09084	1.4
191.10719	0.7
193.12273	6.2
197.11771	18.5
199.13344	3.8
201.11246	24.0
202.11636	1.0
207.10196	19.1
208.10422	0.9
209.11765	38.5
210.12125	2.5
211.13333	100.0
212.13704	6.3
215.12810	2.2
221.11896	0.9
223.13199	1.6
225.11275	31.7
225.14713	6.8
226.11607	2.4
227.12857	9.9
229.90802	0.8
235.08171	11.0
236.08524	0.9
243.12349	2.6
243.15968	2.3
243.67348	0.8
245.19060	1.7
253.09261	31.6
253.14401	1.7
254.09720	1.2
263.20187	1.7
273.18625	2.1
277.09225	0.9
289.18140	4.6
290.18289	1.0
291.19672	20.8
292.19958	2.2
293.21106	2.3
295.10394	1.0
307.19037	5.9
308.19431	0.9
309.20691	38.4
310.21097	4.4
311.22137	1.5
323.22205	1.8
325.20239	3.9
327.21805	1.5
341.23303	54.2
342.23749	6.1
392.13156	0.8
443.19229	1.2
445.20853	1.7
447.22467	4.5
461.20227	6.2
462.20593	1.3
477.19482	0.8
479.21744	1.1
490.37921	1.0
535.36401	2.0
577.32330	1.6
753.40479	3.4
771.41736	17.0
772.43097	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	770.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
61.98701	100.0
71.48390	0.3
71.48844	0.4
80.96397	1.9
95.30810	0.3
211.13419	1.1
212.13582	1.4
213.13899	0.5
225.00638	0.4
277.21545	0.3
278.22202	0.5
279.22528	0.5
685.67926	0.3
771.39960	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	770.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93481	0.2
60.32780	0.2
61.98700	100.0
70.24749	0.5
70.25140	0.5
78.98473	0.3
80.96375	1.3
94.97971	0.2
133.39326	0.2
148.99080	0.3
269.33392	0.2
279.23230	0.4
289.85748	0.2
314.12228	0.2
372.26447	0.2
399.00195	0.2
771.39648	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	771.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63206	1.0
71.01250	10.5
71.49014	2.0
73.40170	1.0
76.06361	1.0
81.03336	1.6
83.01263	1.5
90.22536	1.1
91.01756	1.3
93.90742	1.1
97.02806	1.1
99.24113	0.9
100.87768	1.0
106.00452	1.4
106.32224	1.2
109.13773	1.1
111.00722	1.1
115.00288	5.9
121.02828	26.0
125.02336	53.5
126.02625	1.5
138.03110	2.2
153.05469	19.9
161.02345	3.3
165.01813	1.6
166.99721	1.2
167.03372	1.7
169.01337	100.0
170.01688	4.4
177.01823	2.1
182.02133	4.7
193.01303	1.8
197.04485	88.5
198.04802	4.2
269.04443	1.5
287.05566	1.1
296.06729	1.0
305.06528	4.7
313.05585	8.0
331.04453	2.5
457.07773	12.4
514.50745	1.2
725.59955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.8
59.01249	3.9
61.98685	0.8
69.03326	0.6
70.03862	2.1
71.01257	3.7
71.04903	1.1
73.02806	0.6
80.02540	1.6
80.52333	0.5
81.03349	1.2
83.04901	4.3
84.02035	0.6
85.02822	1.5
89.02328	1.3
93.03365	0.4
95.04908	0.9
97.06456	0.7
99.00740	0.6
101.02314	2.8
109.06495	0.5
111.08045	4.9
113.02346	1.6
115.94498	0.4
118.34603	0.5
119.83150	0.4
131.12144	0.4
135.08098	0.7
137.09607	0.6
152.79633	0.4
155.10774	0.4
161.04430	1.2
163.11180	3.3
165.12756	2.0
167.10728	0.9
169.01370	0.8
171.10176	1.3
174.24374	0.4
177.12755	1.5
179.05461	0.5
179.10725	0.9
181.12273	0.8
181.37787	0.5
191.10689	0.8
195.13820	3.8
197.11717	1.1
203.14503	0.5
209.11772	100.0
210.12109	5.5
211.13280	1.9
227.12836	13.7
228.13150	0.6
235.08093	2.7
241.14418	1.8
247.20691	1.6
253.09254	9.6
259.15567	1.3
291.19662	65.4
292.19962	6.4
297.11227	0.8
307.19168	0.6
309.20834	0.8
323.22174	1.0
329.21036	0.6
331.79874	0.5
335.39154	0.5
385.46793	0.6
445.20819	2.6
446.21158	0.6
463.21832	0.6
509.27710	0.9
527.28711	3.9
563.10345	0.5
719.40393	1.4
769.41705	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	769.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18953	0.5
55.01718	0.6
55.21117	0.6
57.03318	1.4
59.01250	4.5
61.98706	1.3
66.92507	0.6
69.03323	0.7
69.32590	1.4
69.32987	5.1
71.01248	4.0
80.02547	1.2
83.04881	4.2
84.89999	0.7
85.02837	1.3
85.98402	0.6
89.02311	2.2
95.04888	1.0
97.06458	1.0
98.20579	1.2
101.02325	3.1
109.06486	1.1
111.08043	7.3
113.02335	2.1
117.45041	0.7
137.09608	0.6
137.23158	0.6
138.33430	0.6
143.03375	0.7
149.06018	0.8
161.04535	1.1
163.11182	2.7
165.12708	1.4
167.10692	1.8
171.10147	3.9
177.12770	2.1
179.10698	1.4
181.12259	0.7
183.13921	0.8
189.59497	0.6
193.05016	1.5
195.13832	4.8
197.11783	1.6
201.11169	0.7
207.10178	0.7
209.11760	76.5
210.12106	5.4
211.13281	1.1
212.88724	0.7
223.09702	0.8
225.11313	1.1
227.12823	11.7
235.08183	3.9
241.14423	4.0
247.20663	1.9
253.09262	9.2
253.12054	1.3
273.18640	1.8
291.19650	100.0
292.19995	9.7
297.11295	7.2
298.11768	1.0
309.20630	1.7
323.22223	1.4
341.23535	1.0
445.21060	1.2
509.27145	1.0
527.28540	10.7
528.29059	1.6
719.40039	1.9
769.40808	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	769.401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69345	1.1
57.03302	2.5
59.01242	8.8
61.98700	87.0
69.03297	4.9
71.01257	8.9
71.04886	2.7
72.99187	3.8
73.02813	3.0
74.47002	1.2
75.00741	4.5
81.03316	1.4
81.56408	1.1
83.01247	1.5
83.04887	2.4
85.02816	4.1
87.00726	2.4
88.08794	1.3
88.98674	8.4
89.02279	3.3
91.08029	1.2
91.20841	1.2
95.01311	1.4
96.95897	2.2
97.06457	3.0
98.19796	4.2
101.02301	3.6
106.29282	1.2
109.06463	2.2
111.08028	4.6
113.02305	5.0
116.78271	1.5
119.52380	1.2
123.08041	2.1
125.02297	2.4
125.09587	3.9
128.03464	1.5
151.11143	3.9
153.12747	2.2
161.04445	2.0
161.09599	3.2
163.11113	2.6
165.12823	1.8
169.01332	2.2
169.12170	3.6
171.10167	8.3
179.10715	6.0
181.12251	2.2
183.13763	6.6
185.11674	1.6
197.11751	80.1
198.12065	4.1
199.13350	1.9
201.11230	1.9
207.10217	5.1
209.11752	28.2
211.13266	10.0
223.09634	2.1
223.13147	2.6
223.17055	1.4
225.11272	8.3
227.12744	6.5
230.02315	1.3
241.10716	4.7
249.11049	4.5
253.09325	8.4
258.36749	1.4
267.12219	1.8
271.02417	2.8
287.02066	3.0
287.16483	2.0
289.18045	8.9
291.19678	2.8
305.17517	3.7
307.19040	4.4
309.20602	4.5
316.02173	10.8
332.71130	1.5
393.43909	1.5
439.36041	1.6
448.44104	1.4
459.18027	1.5
477.19836	2.4
501.23828	1.5
507.22916	1.8
733.34735	1.7
751.39313	2.5
769.27759	5.8
769.40063	100.0
770.40308	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	769.401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69345	1.1
57.03302	2.5
59.01242	8.8
61.98700	87.0
69.03297	4.9
71.01257	8.9
71.04886	2.7
72.99187	3.8
73.02813	3.0
74.47002	1.2
75.00741	4.5
81.03316	1.4
81.56408	1.1
83.01247	1.5
83.04887	2.4
85.02816	4.1
87.00726	2.4
88.08794	1.3
88.98674	8.4
89.02279	3.3
91.08029	1.2
91.20841	1.2
95.01311	1.4
96.95897	2.2
97.06457	3.0
98.19796	4.2
101.02301	3.6
106.29282	1.2
109.06463	2.2
111.08028	4.6
113.02305	5.0
116.78271	1.5
119.52380	1.2
123.08041	2.1
125.02297	2.4
125.09587	3.9
128.03464	1.5
151.11143	3.9
153.12747	2.2
161.04445	2.0
161.09599	3.2
163.11113	2.6
165.12823	1.8
169.01332	2.2
169.12170	3.6
171.10167	8.3
179.10715	6.0
181.12251	2.2
183.13763	6.6
185.11674	1.6
197.11751	80.1
198.12065	4.1
199.13350	1.9
201.11230	1.9
207.10217	5.1
209.11752	28.2
211.13266	10.0
223.09634	2.1
223.13147	2.6
223.17055	1.4
225.11272	8.3
227.12744	6.5
230.02315	1.3
241.10716	4.7
249.11049	4.5
253.09325	8.4
258.36749	1.4
267.12219	1.8
271.02417	2.8
287.02066	3.0
287.16483	2.0
289.18045	8.9
291.19678	2.8
305.17517	3.7
307.19040	4.4
309.20602	4.5
316.02173	10.8
332.71130	1.5
393.43909	1.5
439.36041	1.6
448.44104	1.4
459.18027	1.5
477.19836	2.4
501.23828	1.5
507.22916	1.8
733.34735	1.7
751.39313	2.5
769.27759	5.8
769.40063	100.0
770.40308	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	769.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.4
61.98703	9.8
62.43088	0.5
63.96098	2.1
70.27113	0.6
71.01255	8.1
71.49951	0.9
72.15465	0.5
73.02816	1.5
78.98453	5.5
79.95602	13.2
80.96386	74.9
81.03307	0.6
83.01221	0.7
85.02820	3.0
87.00761	2.9
94.97956	15.5
96.95880	7.6
97.02787	1.7
99.00755	0.6
101.02338	3.6
102.05469	1.7
106.97965	3.0
108.40154	0.5
113.02333	0.7
115.94922	0.5
122.97443	3.7
125.02343	4.1
127.03916	1.3
127.04983	0.6
128.03442	1.1
134.97464	5.9
136.99043	1.7
145.06071	1.9
146.04527	3.8
148.99049	6.3
152.45441	0.6
152.98541	7.5
161.02437	0.7
164.98549	12.9
169.01384	1.1
188.98727	0.7
206.99583	3.3
209.11757	4.9
210.12036	0.7
225.00687	26.2
273.37396	0.6
294.12619	0.7
309.15042	0.7
407.11807	4.3
408.11911	0.7
509.16953	2.8
541.19489	2.3
635.09003	0.7
677.71783	0.6
737.30945	0.7
769.33112	100.0
770.33484	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	768.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52626	0.1
61.98701	100.0
62.98395	0.2
71.29136	0.2
77.28249	0.1
88.95110	0.1
125.02359	0.1
272.21542	0.1
377.42056	0.1
655.35638	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	768.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17267	0.1
59.01251	0.4
61.45309	0.1
61.98703	100.0
62.98394	0.2
63.20227	0.1
71.01270	0.2
71.35799	0.2
71.36166	0.1
75.00737	0.1
89.54167	0.1
100.04732	0.1
121.76896	0.1
134.52719	0.1
139.90274	0.1
171.10216	0.3
183.61870	0.1
191.41542	0.1
197.11829	0.2
209.11746	0.2
211.13344	2.0
212.13718	1.4
213.13948	0.6
214.14267	0.2
227.12845	0.1
253.09224	0.2
275.14935	0.1
307.19189	0.1
448.22253	0.2
450.23492	0.2
769.41003	0.3
790.21057	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	769.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
59.01253	10.7
65.00188	1.1
69.36940	4.3
71.01254	15.8
72.99184	2.1
73.02818	1.8
83.01245	3.5
85.02830	2.1
87.00748	36.5
88.01101	0.6
88.20982	0.5
101.02303	0.5
107.01278	5.2
108.02074	1.1
109.02850	1.9
111.00758	1.5
112.98706	0.8
115.00256	51.4
116.00573	0.8
119.04911	1.8
121.02809	3.2
125.02372	4.0
137.02356	1.7
139.00261	2.3
145.02855	2.5
147.04475	0.7
148.01608	1.0
149.02313	0.8
151.00270	18.0
152.00600	1.4
157.01353	2.4
161.02371	0.9
163.00256	3.9
163.03889	0.9
164.01076	0.6
169.01372	2.0
175.02396	91.9
176.02791	2.9
177.01830	0.7
177.05429	0.5
178.99797	9.5
180.00163	0.9
189.05359	0.7
190.99725	0.5
199.03810	0.9
203.03270	1.0
211.03973	1.3
215.03430	0.8
216.04207	0.9
226.02733	1.1
227.03461	2.7
228.86317	0.6
229.05013	1.2
243.02975	8.3
244.03442	1.1
245.04526	1.6
254.02234	1.7
255.00639	0.4
255.02963	22.1
256.03409	2.6
271.02463	41.9
272.02957	5.5
273.04028	2.2
283.02444	1.7
299.02179	0.8
300.02737	87.1
301.03476	59.8
302.03842	5.0
305.06784	0.6
317.03033	1.6
318.03384	1.7
319.03629	1.5
343.04648	0.7
423.06897	0.6
447.04495	0.9
447.09302	44.1
448.09726	5.2
593.12994	100.0
594.13318	19.0
617.10791	1.7
623.14001	2.1
651.13855	1.5
669.14081	0.6
695.93915	0.6
709.13635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58348	0.2
59.01246	13.5
59.97957	0.2
61.98701	2.2
63.99123	0.4
66.23180	0.2
69.03331	0.5
70.86729	0.6
71.01249	2.7
73.02819	0.6
78.98450	0.5
79.62804	0.2
79.95607	1.2
80.96386	6.3
80.97980	0.2
82.95966	1.8
83.01246	0.4
85.02835	0.8
87.00738	0.5
89.02324	1.5
94.97961	1.1
95.01241	0.3
96.97546	0.4
97.02800	0.2
97.73325	0.2
99.00780	0.3
101.02317	2.0
106.97963	0.2
113.02327	0.9
117.42844	0.2
119.03373	0.3
122.97425	0.3
124.40027	0.2
125.02393	0.3
134.97511	0.4
148.99086	0.5
152.98524	0.5
161.04453	0.9
164.98520	1.1
166.98074	0.4
167.10585	0.4
167.14305	0.8
179.05518	0.5
183.12195	0.3
183.13824	5.7
184.14084	0.2
193.12276	1.6
196.95589	0.2
211.13324	100.0
212.13696	6.1
225.00691	1.9
227.00198	0.3
235.08186	1.4
253.09219	4.9
277.21698	47.7
278.22040	4.8
378.97592	0.2
429.21213	1.0
447.22369	7.3
448.22562	0.8
513.30914	0.3
718.55487	0.2
723.39093	0.4
767.41571	10.9
768.41571	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	767.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
60.99177	16.9
61.98698	0.5
69.15020	0.7
69.15447	1.8
71.01260	0.4
79.60616	0.2
82.89917	0.2
87.00746	1.9
88.00272	2.5
88.98677	100.0
89.02312	15.2
89.99009	0.7
101.02379	0.3
126.09592	0.2
126.90405	0.4
128.44920	0.2
215.50679	0.2
216.45006	0.2
279.23270	0.7
397.13654	1.0
415.14349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	5.3
65.00213	1.8
70.05746	3.5
70.06160	4.7
93.03337	2.5
94.71951	1.5
95.12216	1.4
109.02859	3.0
121.02827	2.4
121.12952	1.4
125.02329	23.3
131.48810	1.3
137.02350	5.8
149.02345	6.3
151.00273	5.2
163.00255	2.2
164.01071	8.6
165.01765	1.9
169.01451	2.4
175.03801	1.5
176.01105	1.5
177.01860	31.3
177.35303	1.4
178.99733	4.0
193.53836	1.5
199.03964	8.2
201.01863	2.2
214.02588	4.0
216.04126	1.8
227.03448	4.1
229.01352	3.6
241.01120	1.6
242.02167	6.2
243.02946	58.3
244.03224	3.1
255.02991	5.3
259.02371	4.9
261.03973	3.9
269.00916	4.4
270.01572	4.8
271.02438	19.2
278.33533	1.5
282.01654	1.9
283.02533	11.4
287.01962	22.8
288.02893	1.7
299.01865	2.0
301.03452	1.9
303.05066	3.5
311.01852	1.8
316.02231	37.2
317.02878	12.5
333.40170	1.7
355.06537	2.9
356.01556	1.8
363.05164	3.5
408.04608	5.3
409.05304	2.3
447.09332	33.4
448.09683	4.9
463.08826	47.0
464.09250	6.3
599.10419	100.0
600.10724	19.1
641.11884	3.0
767.14752	23.8
768.14716	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	767.1099
Annotation	Myricetin 3-(2'',3''-digalloylrhamnoside)
Peak:m/z	Relative Intensity
59.60055	0.5
63.02265	2.3
65.00204	4.1
69.36082	5.1
72.44438	0.6
73.35545	0.6
83.01260	3.3
84.08941	0.6
84.23670	0.6
107.01267	10.0
109.02822	7.1
110.96406	0.6
123.00771	0.9
125.02331	5.6
129.18791	0.5
137.02342	21.9
140.94916	0.6
151.00269	38.9
152.00642	1.4
163.00209	3.5
165.01836	2.0
169.01343	5.8
175.03848	1.1
177.01825	0.7
178.99768	30.9
180.00104	1.1
190.99742	1.0
192.00539	2.7
193.01274	2.4
199.03899	0.7
215.03439	0.8
227.03438	2.0
243.02980	2.3
259.49612	0.6
261.04114	1.3
271.02484	6.9
287.01987	2.1
289.03552	0.9
299.01855	1.8
300.02731	1.1
301.03421	0.8
316.02170	5.8
317.02991	100.0
318.03290	7.8
463.08768	1.8
539.00024	0.6
588.40375	0.6
615.09863	77.9
616.10278	11.5
646.72784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53874	0.4
56.25503	0.3
60.99176	20.2
61.98700	6.2
68.75245	0.3
69.99943	1.7
88.98676	100.0
89.99014	0.8
107.01218	0.5
108.02104	0.4
115.41201	0.4
121.93595	0.4
135.00816	0.4
145.02884	0.8
151.00282	0.7
178.99785	0.7
211.13383	0.5
227.03339	0.7
241.88023	0.3
243.02948	2.8
244.03516	0.4
254.02318	0.5
255.02957	7.5
256.03275	0.6
271.02472	17.2
272.03018	1.7
299.02036	1.5
300.02731	32.9
301.03061	2.8
388.51547	0.4
531.11377	15.5
531.19464	0.9
532.11877	1.4
677.15070	21.6
678.15436	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	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41281	0.5
59.01257	1.1
61.98692	3.0
63.96111	1.0
69.03316	0.5
69.30399	0.4
71.01253	7.7
71.07835	1.0
73.02825	1.9
78.98463	6.8
79.95602	12.4
79.96042	0.8
80.96386	72.1
81.03331	0.6
81.96321	0.7
87.00737	3.1
94.97960	16.3
95.24011	0.4
96.95863	1.0
97.02832	1.2
99.00764	0.5
101.02332	2.7
106.97968	3.0
122.97467	3.0
125.02334	3.7
127.03878	1.0
134.97476	5.3
136.99048	1.6
137.96977	0.4
146.97517	0.4
148.99033	6.4
152.98547	5.9
164.98538	12.8
179.00191	0.4
183.01767	0.4
189.77640	0.4
206.99622	3.0
209.11789	1.2
225.00688	22.2
226.00940	0.9
255.23257	1.2
261.79901	0.4
283.05026	0.6
356.84454	0.5
374.11163	0.5
472.98306	0.4
509.16995	2.9
537.27374	1.1
765.40955	100.0
766.41278	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.2
59.01248	8.0
61.98700	1.0
65.89609	0.2
69.03321	0.5
71.01247	1.3
72.99184	0.7
73.02816	0.3
74.23703	0.2
76.27518	0.2
83.01254	0.3
83.04867	0.2
85.02834	0.3
87.00739	0.2
88.98686	0.6
89.02309	0.9
101.02306	1.2
113.02329	0.5
119.03363	0.2
145.04921	0.2
155.10744	0.4
161.04405	0.5
165.12697	0.4
167.10757	0.3
167.14334	0.7
179.05534	0.3
183.13818	6.1
184.14140	0.3
193.12222	1.7
209.16785	0.2
211.13329	100.0
212.13670	6.2
232.56847	0.2
235.08200	1.7
239.40233	0.2
249.98358	0.2
253.09239	2.7
294.79437	0.2
387.25372	0.5
405.26483	0.3
429.21179	2.1
430.21823	0.4
447.22345	10.8
448.22653	1.5
597.32904	0.2
623.34222	3.4
624.34711	0.7
641.35522	2.7
642.35968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.5
60.99179	14.6
61.98703	2.6
69.22381	3.7
71.01251	2.4
77.19418	0.4
80.96370	0.5
81.65764	0.4
85.02846	0.4
87.00753	1.3
88.00273	1.8
88.98676	100.0
89.02315	9.6
89.99017	0.8
98.20521	0.8
99.82519	0.4
100.92058	0.4
101.02361	0.7
109.06467	1.1
113.02280	0.4
163.11148	0.8
171.10150	0.7
185.11758	0.5
207.10248	3.4
209.11766	0.6
211.13278	0.8
225.11166	1.9
253.09236	0.7
397.13574	0.5
411.96072	0.5
461.20386	0.6
627.18298	0.5
765.38293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21814	2.0
57.03321	3.0
59.01256	6.7
60.99163	8.3
61.98701	47.5
64.50536	2.4
71.01247	8.1
71.49271	3.8
72.00360	2.7
72.99184	15.0
75.00769	3.3
83.04872	2.9
86.43318	2.2
88.98677	41.1
89.02316	6.4
89.99057	2.5
93.10142	2.8
96.95911	2.4
101.02300	5.2
123.00829	2.6
125.02377	12.3
133.95735	2.8
146.72437	2.7
157.08585	3.3
163.11252	3.2
165.12695	2.8
169.01358	10.0
171.10156	8.4
172.10609	2.6
183.13832	4.8
192.76599	2.4
199.13338	3.2
209.11765	100.0
210.12048	6.3
211.13289	7.2
212.13741	4.2
227.12813	18.0
253.09277	5.0
289.13177	2.7
368.69086	3.2
397.13788	3.7
445.20767	4.0
507.60815	3.0
659.56427	2.6
760.94543	2.6
765.35858	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	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.3
63.96105	2.0
69.03325	0.8
71.01251	7.6
73.02808	2.4
78.98451	7.9
79.95601	16.3
80.96385	89.9
81.03310	1.0
87.00739	2.7
94.12982	0.5
94.97958	21.1
95.01255	0.8
96.95875	1.3
97.02823	1.9
98.19804	1.5
101.02298	3.3
106.97983	4.0
113.02307	0.7
122.97493	4.4
125.02335	3.9
127.03886	1.0
134.97473	6.4
136.99033	1.5
144.10179	0.5
148.99040	8.8
152.98549	7.3
164.98541	16.5
167.00235	0.5
173.98882	0.5
206.99690	4.1
209.11794	1.7
225.00687	27.2
226.01076	1.2
255.23273	1.5
267.84909	0.6
283.05081	0.8
328.52759	0.5
388.83963	0.6
509.16739	3.2
537.27698	2.2
673.07581	0.7
741.09283	0.8
765.40942	100.0
766.27332	1.3
766.41266	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	765.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
57.03329	3.6
57.98327	0.4
61.98690	0.8
79.01753	4.4
80.96394	0.7
83.01266	0.8
85.69733	0.3
87.04365	0.4
88.29790	0.3
98.20606	0.5
99.08036	3.8
109.02792	0.5
121.06438	0.8
122.33701	0.4
123.08026	0.6
125.17493	0.4
127.93540	0.4
142.53200	0.4
146.89246	0.4
147.04465	0.5
149.05975	5.3
149.70978	0.3
150.03116	0.5
152.04671	1.0
155.08644	0.4
159.08046	0.5
164.98502	0.4
165.09094	3.6
167.07053	14.6
168.07404	0.5
169.01419	0.3
171.04442	1.6
173.09637	0.7
178.02725	0.6
183.08078	1.2
193.04980	7.8
200.08379	0.9
209.08112	15.1
210.08394	1.0
211.11227	1.3
225.12807	0.4
229.14967	0.4
229.17641	0.5
233.10042	0.4
253.12292	11.9
254.12704	1.1
297.11301	100.0
298.11652	11.5
357.11353	1.2
383.16382	0.8
401.17529	1.7
427.15512	1.7
566.33478	0.4
595.23444	7.4
596.23615	1.3
765.40918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00148	0.2
59.01245	0.3
60.99174	16.8
61.98699	1.1
69.32264	0.8
69.32699	1.0
71.01257	0.4
72.99166	0.5
87.00749	1.8
87.15571	0.2
88.00278	2.8
88.98675	100.0
89.02311	17.8
89.99006	1.1
98.19773	0.4
101.02313	0.3
105.18105	0.2
148.88968	0.2
157.84848	0.2
211.13289	0.5
277.21704	0.7
348.31082	0.2
397.13562	1.4
580.08893	0.2
614.58099	0.2
615.31049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.5
59.01253	17.6
60.99174	16.6
61.98700	70.6
71.01246	15.4
71.10822	1.6
71.49224	3.0
72.99177	7.4
73.02831	2.4
75.00745	11.2
80.96471	1.5
81.03392	2.2
83.01255	2.4
83.04874	2.0
85.02830	1.9
87.00776	6.1
88.00292	2.9
88.98676	100.0
89.02322	18.2
97.02839	2.7
97.06462	3.1
101.02320	13.8
111.57829	1.8
113.02331	5.8
119.03395	4.6
125.02349	10.1
125.09632	4.2
154.15814	1.5
154.25151	1.8
161.04497	2.7
163.11188	5.8
163.43263	1.6
165.12775	3.1
167.03432	2.2
169.01331	5.0
171.10179	4.7
179.05534	4.0
185.11801	2.5
191.14336	2.8
209.11790	19.6
211.13219	10.2
212.13751	3.2
221.06506	2.6
227.12958	4.1
235.08076	4.5
245.18890	8.2
249.23079	1.8
253.09044	2.0
263.20285	2.4
289.18103	26.4
290.18427	3.3
300.46219	1.8
307.19186	38.1
308.19543	3.6
335.88345	1.9
397.13489	20.4
398.14014	2.9
415.14594	21.3
477.78046	2.2
601.16736	1.9
607.26166	3.2
666.52155	1.9
690.16162	1.8
705.33423	5.5
708.78632	2.0
766.36725	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	3.6
59.56359	2.8
61.98677	4.3
71.01263	4.6
71.94086	2.6
75.50947	2.8
80.96379	4.1
83.04893	2.8
149.03137	2.9
155.13998	3.1
163.11238	3.1
163.24164	3.1
172.80431	2.5
184.45126	2.7
209.11768	100.0
210.12096	8.5
227.12842	10.4
238.30913	3.1
253.09229	7.7
255.23254	66.0
256.23688	4.6
262.97238	3.0
374.28329	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	761.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.2
59.37095	1.4
61.98686	1.9
69.98103	7.4
71.01242	4.4
80.96401	1.9
83.04893	2.2
87.49468	1.4
89.02332	1.8
112.71850	1.7
143.53905	1.5
163.11140	1.8
209.11778	56.6
210.12143	3.3
211.13330	3.3
217.95261	1.6
221.15494	4.4
227.12895	9.7
235.08203	5.5
239.20149	1.9
253.09244	6.0
255.23268	100.0
256.23621	3.4
277.21741	2.8
491.32147	1.5
727.59802	1.9
761.43921	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	763.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.1
60.99174	17.4
61.98683	0.3
63.78539	0.2
64.68166	0.2
66.51819	0.2
71.01237	1.0
71.49625	0.2
72.99177	0.4
74.07965	0.2
85.02846	0.2
87.00761	1.7
88.00269	1.5
88.01086	0.3
88.98676	100.0
89.02308	6.0
89.98991	1.0
95.01223	0.2
97.02831	0.3
101.02312	0.6
113.02329	0.3
125.02319	0.9
151.00380	0.2
151.03951	0.2
161.02287	0.3
165.05594	0.3
169.01308	0.5
171.10179	4.3
172.10500	0.4
179.05489	0.3
183.13893	0.4
209.09917	0.3
209.11769	4.5
210.12125	0.5
211.13347	4.2
212.13698	0.5
227.12849	0.9
228.13277	0.2
235.08345	0.3
253.09360	0.4
271.02457	0.2
313.42145	0.2
316.02225	0.5
379.12610	0.5
397.13385	1.8
415.14639	0.4
517.25690	0.2
533.92615	0.2
569.24768	0.2
651.13361	0.5
653.30090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61231	0.9
57.03102	0.8
57.03329	9.6
58.70555	0.9
69.03310	1.2
70.50056	0.9
70.50961	2.9
71.31059	0.8
72.65706	0.8
76.09814	0.8
83.01263	2.4
93.03327	3.2
95.04893	1.1
97.02837	1.2
105.03317	2.3
107.04909	1.3
109.02856	5.8
111.04360	1.2
114.26381	0.9
121.02828	3.4
123.00744	1.9
124.01504	1.3
125.02339	100.0
125.49025	0.8
126.02652	3.6
131.04907	2.0
133.02824	2.5
137.02342	13.2
139.03888	5.0
145.02878	1.0
149.02356	5.0
151.03893	8.1
152.04218	0.9
160.01540	1.1
161.02368	17.9
163.00249	4.9
163.03920	1.8
164.01027	2.6
165.01833	8.8
166.02510	1.1
167.03409	7.2
169.01341	14.2
170.01677	1.0
174.03090	0.9
175.00290	2.9
175.03915	15.5
176.00887	0.9
177.01851	69.6
177.05443	3.7
178.02188	3.7
179.03371	4.7
183.04370	1.7
187.03954	1.5
189.01816	1.6
191.03415	3.6
193.01324	3.6
193.05042	1.7
197.06050	1.2
199.03891	3.6
201.01852	2.8
201.05505	3.4
203.03348	2.3
213.05466	1.6
215.03401	2.0
217.05054	9.3
219.02834	4.6
219.06529	2.5
221.04420	2.5
225.05473	1.7
227.03450	3.7
229.01364	3.3
229.05087	1.0
233.04555	1.3
241.05055	1.0
243.02931	18.9
244.03285	1.5
245.04456	2.5
253.04979	1.6
255.02969	12.6
256.03543	2.9
257.04514	2.5
261.04022	6.8
261.06802	1.1
269.04541	8.2
270.05017	1.1
273.04001	3.0
283.02356	7.3
284.03006	1.1
285.04059	3.7
287.05554	9.0
295.06042	1.0
297.03906	5.1
299.05670	1.7
301.03412	5.8
301.86243	1.0
303.05109	8.0
305.06671	21.6
327.05002	1.2
348.05780	0.9
355.08011	1.3
379.08081	1.2
405.06174	5.3
406.06531	1.2
423.07211	58.9
424.07526	6.7
439.06403	1.4
441.08475	4.8
447.07123	1.3
453.07993	1.3
457.07758	2.1
465.08160	3.9
483.09399	4.6
575.07996	2.7
591.11346	4.6
592.11481	1.6
593.09125	1.6
609.12457	8.7
756.09686	1.0
761.13165	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	761.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70406	1.0
57.03315	7.6
66.86759	0.9
70.25272	1.3
70.25658	1.5
80.20461	0.9
81.03322	1.0
83.01280	2.5
85.63359	0.9
86.43568	0.9
88.13190	1.1
105.03389	1.2
109.02843	4.4
121.02805	2.3
123.00737	2.0
123.52988	1.0
125.02335	81.0
126.02619	2.7
133.02837	1.7
137.02341	12.6
139.03955	4.7
141.14951	0.9
149.02330	4.0
151.03899	4.5
161.02350	10.8
163.00291	3.1
163.03891	1.8
164.01086	2.3
165.01849	5.2
167.03487	6.0
169.01346	17.7
171.90749	0.9
175.00323	2.8
175.03891	7.8
177.01852	53.5
177.05431	2.7
178.02179	3.0
179.03412	4.3
187.03923	1.1
191.03397	1.8
193.01343	1.0
193.05072	2.3
199.03896	2.2
201.01974	1.0
201.05487	2.1
203.03395	2.6
211.04005	1.3
215.03418	3.0
217.04980	5.1
219.02933	2.6
219.06625	2.3
220.48810	0.9
221.04436	1.7
227.03430	2.9
229.01407	2.9
229.04929	2.2
241.05016	1.2
243.02948	14.5
244.03311	1.7
245.04533	1.6
255.02977	10.8
256.03552	2.5
257.04425	2.6
261.04013	7.1
267.03116	1.0
269.04529	8.9
273.04141	4.8
278.14963	1.1
283.02429	5.3
285.04099	4.4
287.05557	10.5
297.04007	3.6
301.03491	5.4
303.05081	11.1
305.06638	35.3
306.07019	2.7
310.55972	1.2
313.03540	3.1
315.05045	1.6
319.04630	1.8
329.06577	2.0
337.07129	1.5
355.08145	1.2
379.08246	2.5
387.05069	2.4
397.09296	1.2
405.06088	12.4
423.07211	100.0
424.07501	11.6
441.08200	10.7
442.08594	1.7
453.08124	1.9
457.07764	2.4
465.07974	6.0
483.09372	10.2
573.09888	2.3
575.08313	5.3
591.11523	7.1
592.11523	1.7
593.08972	4.5
609.12518	10.8
610.12811	2.9
635.10834	1.5
761.13446	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09666	0.7
53.65928	0.6
53.89861	0.6
54.67166	0.6
57.03098	0.8
57.03324	10.8
65.00185	0.7
69.03338	0.9
70.33531	2.4
81.03352	1.5
83.01266	2.8
90.66480	0.6
93.03342	2.0
95.04891	1.0
95.40189	0.6
96.49632	0.6
97.02820	1.4
97.81202	0.7
105.03360	3.2
107.04906	0.7
109.02821	6.1
121.02834	3.1
123.00755	2.4
124.01556	1.8
125.02330	100.0
126.02647	2.8
131.04871	1.5
132.75706	0.7
133.02859	3.1
135.04366	0.8
137.02341	14.8
139.03922	4.8
147.00706	1.1
149.02342	5.3
151.03912	8.2
154.19907	0.7
159.04410	1.8
161.02330	16.2
162.02994	0.9
163.00322	4.6
163.03877	1.3
164.01024	2.7
165.01848	6.2
166.02629	0.9
167.03389	6.7
169.01338	16.3
170.01599	1.1
171.04385	1.1
173.02371	0.8
173.05957	1.5
173.16040	0.8
174.03174	1.2
175.00314	2.5
175.03922	13.9
176.01042	0.8
177.01848	73.1
177.05190	3.3
178.02251	2.9
179.03426	3.7
183.04460	1.3
185.02457	0.8
187.03949	2.3
189.01883	2.1
190.02597	1.1
191.03404	2.5
193.01347	3.1
193.05016	2.7
197.05957	1.2
199.03934	4.5
201.01921	1.5
201.05489	2.4
203.03439	2.7
204.04178	0.7
205.04936	0.8
211.03952	1.2
213.05530	0.9
215.03416	2.4
217.05006	7.7
219.02928	3.6
219.06462	3.2
221.04668	1.4
225.05490	1.5
226.24265	0.9
227.03339	3.8
228.04083	1.2
229.01393	3.5
229.05011	2.6
233.04398	1.0
241.04962	0.9
243.02931	15.8
243.05638	0.8
243.06647	1.5
244.03345	2.1
245.04483	1.8
253.04964	1.7
255.02951	12.2
256.03613	3.1
257.04477	2.4
261.04007	7.3
261.06796	0.8
264.30457	0.7
267.02966	0.8
269.04535	7.6
273.04056	2.7
283.02567	6.1
285.03989	3.2
287.05591	11.6
297.04047	4.6
301.03549	7.0
303.05072	9.1
304.05518	0.9
305.06644	24.2
306.07004	1.5
313.03647	2.3
315.05072	1.0
319.04623	1.1
331.04855	1.2
355.08142	1.3
379.08096	1.6
387.05243	2.5
397.09171	0.8
405.06097	8.2
406.06372	0.8
423.07175	65.7
424.07520	8.4
439.06940	1.7
441.08258	5.9
442.08365	0.8
447.07346	1.0
452.07477	0.8
453.08270	2.3
457.07764	3.5
465.08209	5.6
466.08551	1.0
483.09448	4.8
575.08551	2.9
591.11505	5.5
592.10962	1.2
593.09576	2.2
609.12476	9.6
635.10687	1.1
761.13660	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	761.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	10.2
64.83916	0.9
65.00179	1.4
70.83476	3.1
76.54883	1.1
83.01255	1.6
93.03369	1.6
95.01220	1.3
97.02887	1.0
97.44402	1.0
100.34273	0.9
100.34911	0.9
105.03348	3.6
107.04913	1.2
109.02831	6.0
111.04385	1.8
121.02825	5.9
123.00777	2.0
125.02329	100.0
126.02647	3.3
128.14764	1.0
131.04886	1.3
133.02863	2.9
137.02344	16.5
139.03926	3.8
147.00734	0.9
147.04393	1.1
149.02335	6.4
151.03911	8.0
159.04387	1.5
161.02333	16.4
163.00305	5.6
163.03944	1.3
164.01064	3.2
165.01840	5.1
167.03403	5.4
167.12598	1.1
169.01315	14.7
175.00230	3.4
175.03903	11.8
176.01111	1.4
177.01843	72.2
177.05467	3.4
178.02200	4.2
179.03429	4.8
187.03992	1.8
189.01860	2.1
191.03406	3.0
193.01323	2.9
193.04973	2.7
199.03914	5.4
201.01822	2.8
201.05467	3.4
203.03520	2.6
207.91885	1.1
215.03455	2.7
217.04988	9.1
219.02924	4.8
219.06552	2.5
221.04555	1.7
225.05650	1.7
227.03479	5.1
229.01373	4.7
229.04962	1.4
233.04439	1.2
241.04994	1.6
243.02965	19.4
244.03326	1.9
245.04395	2.0
251.03378	1.4
255.02975	14.7
256.03574	3.1
257.04529	3.1
261.04007	8.6
263.05829	1.1
269.04477	7.9
273.04083	3.8
283.02487	5.4
284.02829	1.3
285.04034	3.7
287.05545	13.7
288.02625	1.1
297.04028	4.6
301.03604	7.8
303.05045	12.0
305.06650	27.8
306.06958	2.6
313.03699	2.4
315.05280	1.9
315.99057	1.1
319.04724	1.7
327.05011	1.9
331.04565	2.0
337.07147	1.4
379.08173	2.3
387.04980	2.0
405.06174	10.8
406.06525	1.8
423.07187	94.0
424.07440	10.4
427.05930	1.1
435.07904	1.2
439.06781	2.2
441.08121	7.4
447.07208	1.5
452.07343	1.8
453.08023	2.0
457.07822	5.1
465.08078	7.1
483.09436	7.1
484.09717	1.2
573.10522	1.2
575.08264	3.4
591.11407	8.9
593.09326	3.3
609.12451	14.1
610.12933	2.1
635.10797	2.2
761.13483	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	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.2
59.01247	10.5
59.58142	0.9
61.98698	1.4
70.43645	0.9
71.01254	67.1
73.02811	1.4
75.00740	1.3
85.02801	1.0
87.00740	1.7
89.02316	2.3
97.02834	2.0
101.02293	3.3
109.06456	2.3
113.02327	2.4
127.11154	1.7
153.78050	1.2
155.10738	1.5
161.04587	1.3
163.11150	2.0
171.10181	41.1
172.10620	1.4
181.12297	2.2
199.09665	8.6
199.13342	1.4
201.11284	6.0
207.10231	12.0
211.13318	1.9
225.11270	6.9
235.08170	5.2
243.12219	1.1
253.09290	8.1
263.77103	0.9
277.21716	100.0
278.21994	8.7
327.21457	1.3
363.34244	1.0
431.08026	1.3
570.58533	1.1
721.42090	3.2
739.42596	2.6
757.43842	12.0
758.44104	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	758.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.5
61.98388	2.5
61.98701	45.0
71.01253	2.3
80.96404	2.3
82.95284	2.1
83.02396	2.7
88.48863	1.5
96.95900	3.7
99.23275	1.5
101.02312	1.7
107.01249	2.8
121.02811	3.6
125.02347	12.2
167.03368	1.8
167.87778	1.7
169.01324	9.1
170.01608	1.8
171.10217	4.2
177.01901	2.1
183.13802	1.9
207.10202	2.5
209.11766	4.6
210.12204	2.2
211.13306	15.9
225.11206	2.3
227.03467	4.1
243.02985	9.2
253.09222	3.4
255.02925	23.7
270.99487	1.6
271.02460	52.0
272.02896	4.3
299.02124	3.6
300.02734	100.0
301.03220	9.5
309.20663	1.9
317.80353	1.5
327.21729	7.1
328.22263	3.4
486.60345	1.6
531.11499	21.0
532.11774	2.3
573.12402	7.1
630.56952	2.0
677.15088	32.1
678.15594	7.8
695.16284	18.5
696.16364	3.7
758.39343	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49377	0.5
57.03317	1.0
57.92930	0.7
59.01250	4.8
61.98699	1.4
63.21415	0.6
67.01751	0.5
69.03309	1.9
71.01254	4.9
71.49271	0.9
73.02786	0.8
80.96365	1.1
81.03324	0.6
83.04906	1.1
83.75372	0.5
84.02008	0.6
85.02819	5.1
85.84422	0.5
87.00735	1.3
89.02312	3.4
96.95893	3.2
97.02824	1.5
97.06462	2.1
101.02325	5.8
113.02337	2.6
117.83310	0.5
119.03435	0.7
125.02315	1.4
125.09615	0.7
127.11144	0.6
133.04935	0.6
137.09628	1.3
143.03401	0.8
145.04945	0.9
155.10643	1.2
161.04456	2.0
165.12769	1.3
167.14331	0.9
169.01270	0.9
171.10181	14.6
183.13805	9.9
185.11702	0.9
193.12251	1.4
197.11746	1.5
209.11765	5.1
210.12152	1.4
211.13330	100.0
212.13721	4.4
221.11740	1.8
227.12811	0.9
228.13365	0.6
229.14436	7.3
235.08168	8.1
239.12856	1.3
251.16681	0.7
253.09261	20.4
254.09596	1.3
291.19708	4.7
300.02573	0.9
309.20706	13.0
310.21146	2.0
311.22214	0.9
323.01831	0.5
327.21744	67.5
328.22043	4.8
400.99890	0.6
440.52551	0.6
447.22333	5.8
499.58325	0.5
516.32104	0.5
521.34729	1.5
522.34808	0.6
545.29742	2.9
563.30530	4.9
677.15106	1.1
721.20972	0.6
757.38617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80970	0.6
53.00180	1.2
59.01249	8.7
66.51958	0.7
68.99669	1.2
69.35767	5.7
71.01254	100.0
72.01601	1.5
73.02805	1.6
83.01254	0.8
85.02831	1.7
86.19763	0.6
89.02321	2.6
97.10770	0.6
98.19819	0.9
99.00748	1.1
101.02319	3.7
109.06461	4.6
113.02329	2.1
121.06417	0.7
125.09624	2.3
127.11185	2.5
153.09084	0.7
155.10748	1.5
161.04486	1.5
163.11217	3.4
171.10181	66.0
171.97845	0.7
172.10516	2.9
181.08679	0.9
181.12294	1.0
197.11708	0.8
199.09711	9.8
199.13348	1.0
201.11258	10.5
207.10199	11.7
211.13382	1.4
215.12894	0.9
225.11273	7.6
235.08142	3.3
243.12204	0.9
253.09297	9.0
277.21716	88.2
278.22076	9.9
297.11331	3.0
297.61462	1.7
298.11630	1.2
303.72446	0.7
366.11133	0.7
372.45627	0.7
435.18472	1.0
461.20090	2.3
601.66992	0.9
721.41608	2.0
739.42975	0.9
757.43896	10.8
758.44513	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	757.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.2
57.49897	0.3
58.00466	0.5
59.01247	5.3
61.98693	3.4
64.68833	0.3
69.03337	2.3
71.01246	5.2
71.36519	0.5
73.02448	0.3
73.02818	1.6
78.91759	0.4
81.03283	0.3
83.01256	0.8
83.04905	1.4
85.02824	7.3
87.00748	1.2
89.02321	3.4
91.03854	0.4
95.01257	0.5
96.95867	2.2
97.02830	1.2
97.06458	1.7
99.00749	0.6
101.02317	5.0
111.04387	0.3
111.08022	0.5
113.02349	2.5
114.93301	0.5
119.03410	1.2
122.79868	0.3
125.02325	1.3
125.09628	0.7
127.11198	1.3
133.05000	0.6
137.09612	1.8
143.03342	0.4
145.04996	0.9
151.11331	0.4
155.10645	0.8
160.22870	0.3
161.04457	2.4
163.11229	0.5
165.12781	0.8
167.10645	0.5
167.14243	0.8
169.01350	1.5
169.12164	0.5
171.10175	20.3
172.10532	0.8
179.05540	0.9
181.12349	0.4
183.13817	8.3
184.14233	0.4
185.11740	1.2
193.12239	2.1
197.11778	1.4
199.13345	0.4
201.11293	1.2
209.11781	8.0
210.12115	2.7
211.13330	100.0
212.13638	5.5
221.11736	1.2
227.12801	2.3
228.13190	0.6
229.14421	4.9
235.08180	11.3
236.08652	0.3
239.12874	1.2
251.16415	0.6
253.09251	19.7
254.09544	0.8
291.19641	3.6
292.19974	0.8
293.21130	0.5
309.20679	11.1
310.21036	1.4
311.22125	2.2
327.21741	57.6
328.22025	4.6
341.23386	0.8
407.19373	0.4
447.22305	7.3
448.22684	0.5
460.45972	0.3
521.34650	1.4
545.29651	3.3
563.30597	3.3
564.30780	0.4
757.42413	0.6
776.50427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.1
59.01245	8.9
61.98701	43.5
63.99118	1.9
69.03326	1.6
69.48769	1.4
71.01241	5.1
71.49251	2.5
72.53175	1.6
78.95757	2.9
79.95602	2.3
82.95956	1.8
83.01273	2.6
85.02802	5.2
89.02301	3.9
96.13544	1.7
96.95888	57.4
96.96836	3.9
98.95458	21.0
98.96316	3.0
99.00743	2.5
101.02302	5.8
113.02364	2.4
115.00213	2.7
116.92728	5.0
119.03345	1.8
125.02324	12.1
137.09544	1.8
151.00311	1.9
161.02330	2.2
161.04382	2.6
167.03482	2.6
167.06967	2.1
167.10759	1.8
169.01314	11.2
171.10225	15.5
175.02385	2.5
183.13817	7.7
197.11800	2.8
209.11758	23.6
210.12112	8.1
211.13330	100.0
212.13649	5.7
227.12874	3.4
229.14351	5.5
235.08157	12.2
253.09291	16.9
255.02916	1.7
271.02429	6.6
272.02866	2.3
291.19675	4.3
300.02710	6.4
301.03012	3.6
309.20590	10.4
310.21069	2.5
316.02124	6.7
317.02402	4.0
320.07861	1.8
327.21777	48.1
328.22052	3.7
413.81949	1.9
439.53870	1.9
439.61264	1.5
447.22202	7.0
521.33990	2.2
532.11847	3.1
545.29303	2.6
563.30548	2.0
639.33026	1.8
694.14661	9.7
757.38165	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	756.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.2
59.01246	0.9
61.98701	100.0
62.98403	0.4
63.99127	0.9
69.03324	0.1
71.01261	0.8
71.20241	0.2
73.02829	0.2
74.66028	0.1
78.95796	0.6
78.98513	0.1
79.95596	0.7
80.02568	0.2
80.96388	0.8
81.03355	0.1
83.04891	0.9
84.55865	0.1
85.02840	0.2
89.02326	0.5
91.40956	0.1
94.97965	0.2
96.95889	10.2
96.96791	0.8
97.02850	0.2
98.02353	0.2
98.95461	0.2
101.02335	0.6
104.93438	0.2
107.01321	0.2
109.02843	0.2
111.08037	0.7
113.02338	0.3
116.92739	0.4
119.03418	0.1
124.01611	0.2
125.02351	0.7
135.08105	0.2
141.01695	0.1
151.00273	0.5
151.11169	0.2
161.04486	0.2
163.11177	0.7
165.12772	0.4
169.01376	0.8
169.12303	0.3
171.10194	0.3
177.01910	0.2
178.99785	0.3
179.05487	0.1
179.88878	0.1
181.12329	0.2
183.13875	0.3
185.11745	0.3
191.10730	0.2
197.11757	4.1
198.12086	0.5
199.13293	0.2
202.02702	0.2
203.03453	0.2
209.11769	17.3
210.12085	2.1
211.13339	2.3
211.15211	0.2
212.13716	0.2
214.02676	0.2
215.03387	0.1
225.00760	0.2
227.12877	2.5
228.13173	0.4
230.01996	0.2
231.02882	0.2
235.08382	0.7
240.77780	0.1
242.02164	0.2
243.02850	0.3
245.40964	0.1
251.16476	0.4
253.09244	2.0
254.09735	0.3
258.01688	0.3
259.02457	0.5
263.20184	0.2
271.02493	1.1
272.35242	0.1
273.18738	0.2
286.01260	0.2
287.01990	1.3
291.19601	1.7
292.20078	0.5
300.02826	0.2
309.20718	5.4
309.24301	0.3
310.21091	1.0
315.01364	0.7
316.02216	2.8
317.02554	0.1
325.20212	0.2
345.42078	0.1
357.02505	0.2
389.06531	0.1
463.06833	1.1
485.17648	0.2
547.11200	0.5
666.28973	0.2
693.14514	2.7
694.15247	0.5
723.32056	0.2
755.35095	0.4
756.35333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66484	0.8
54.11320	0.7
59.01261	4.8
61.98712	1.8
69.40049	7.1
71.01228	5.3
79.28088	1.1
80.02585	0.9
83.04905	3.2
84.02049	0.8
85.02811	1.3
85.36267	0.9
89.02333	1.6
101.02331	3.3
113.02314	1.3
119.03324	1.1
163.11209	3.2
165.12779	2.0
181.12186	1.1
191.10774	1.0
209.11781	100.0
210.12148	6.3
227.12898	8.7
253.09296	7.6
259.15497	3.8
277.21729	56.6
278.22095	3.4
291.19794	1.1
398.62466	0.9
445.21008	0.9
577.70807	0.9
753.07990	1.1
755.40424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40476	0.4
57.60540	0.5
59.01254	2.7
61.98698	22.0
63.99116	0.5
65.00188	0.6
66.52101	0.5
69.24417	0.5
69.46120	0.5
71.20524	1.2
71.60635	0.6
79.95609	0.9
80.95012	0.6
80.96381	2.0
85.11060	0.6
96.95885	5.5
107.01252	1.3
112.61133	0.6
117.74820	0.7
124.01554	2.4
125.02324	1.5
135.00758	0.6
139.99173	0.6
151.00250	2.4
152.01025	1.2
163.00302	0.9
164.01050	2.0
169.01347	1.9
178.60530	0.5
178.99756	4.1
197.11732	1.1
202.57434	0.6
203.03387	1.5
209.11780	6.0
210.12044	1.1
211.13321	2.2
214.02637	8.3
215.03302	1.6
227.12819	1.0
232.03693	0.8
242.02206	5.5
243.02919	3.6
244.03687	0.8
253.09241	0.9
259.02457	7.1
260.03091	0.6
270.01651	7.4
271.02454	43.7
272.02863	3.2
284.81747	0.6
287.01944	26.6
288.02441	3.1
291.19577	0.9
309.20685	2.4
310.20935	0.8
315.01517	2.2
316.02206	100.0
317.02621	8.7
338.77341	0.6
471.46414	0.5
547.10938	17.6
548.11389	2.5
680.17999	0.7
693.14545	60.8
694.14905	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	755.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
58.00470	0.7
59.01244	5.3
61.98699	17.3
69.03323	0.9
69.34053	4.0
71.01247	5.5
71.04887	1.1
72.99174	0.5
73.02810	1.7
78.95776	0.6
78.98450	0.7
79.95596	2.4
80.02538	1.3
80.91547	0.5
80.96387	7.7
81.03320	1.3
83.01271	0.8
83.04897	5.3
84.02055	0.9
85.02824	1.6
87.00742	1.4
89.02325	2.8
94.97953	2.0
95.04879	1.1
96.95888	9.6
96.96829	0.7
97.02811	0.7
97.06445	0.8
101.02308	4.8
109.06425	1.1
111.08022	2.3
113.02322	2.1
116.92733	1.3
119.03370	1.1
123.08073	0.6
125.02338	2.0
125.05977	0.5
125.09592	0.7
126.73017	0.5
129.16913	0.5
137.09593	1.5
145.04999	0.5
148.99081	0.7
152.98473	0.7
153.12639	0.6
161.04488	1.8
163.11182	4.2
164.98453	1.0
165.12810	2.6
167.29353	0.4
169.01364	1.5
171.10182	15.7
171.11656	0.8
172.10500	1.2
179.05539	0.8
181.12238	1.3
183.13853	2.4
185.11653	0.8
189.82863	0.4
191.10699	0.9
195.13826	2.2
197.11745	8.8
198.12163	0.6
199.13367	3.9
207.13640	0.9
207.17505	1.0
209.11766	100.0
210.12144	6.1
211.13327	15.4
212.13638	0.7
221.15433	1.1
223.16971	3.7
224.17375	0.5
225.00655	1.9
225.11208	0.5
227.12840	28.5
228.13185	1.6
232.55579	0.5
233.15471	3.0
235.08173	3.8
247.20721	0.5
249.11060	0.9
251.13901	1.0
251.16505	18.9
252.16866	1.1
253.09265	15.2
254.09615	0.7
267.15958	0.5
271.02527	0.9
273.18640	1.5
289.18179	0.6
291.19653	23.4
292.20020	2.0
300.02728	1.1
301.03268	0.5
307.19080	0.8
309.20697	29.9
310.21146	3.1
325.20349	1.5
329.21259	0.5
445.20728	1.8
463.22086	2.7
487.25360	1.3
501.32227	0.5
527.28638	1.1
538.38989	0.5
545.29724	1.2
657.34113	0.7
665.28595	1.6
719.40234	0.6
737.31299	0.7
755.30988	2.2
755.44025	1.1
756.42865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32377	0.2
57.03315	0.5
58.00470	0.6
59.01248	3.7
61.98703	3.3
69.03330	0.5
70.97790	0.4
71.01259	3.0
71.04897	0.3
73.02809	0.7
73.67745	0.2
75.00733	0.3
80.02544	1.1
81.03335	1.1
83.01255	0.7
83.04898	4.7
84.02039	0.7
85.02818	0.7
85.58598	0.2
87.00764	0.4
89.02303	2.3
95.01283	0.3
95.04906	0.5
96.95920	0.3
97.02819	0.3
97.06489	0.3
101.02310	2.7
109.06474	0.4
111.08047	4.1
113.02374	1.2
119.03361	0.5
120.05767	0.2
123.08053	0.2
125.02348	0.3
125.05957	0.5
125.09621	0.2
127.07512	0.4
135.08060	0.5
143.03419	0.4
145.04959	0.3
146.95200	0.2
147.11737	0.3
149.05898	0.3
153.12769	0.4
161.04474	1.5
163.11192	3.5
165.12740	2.2
167.10710	0.2
169.12233	1.4
171.04477	0.2
171.10188	0.5
179.05522	0.3
181.12329	1.2
183.13818	0.8
191.10696	0.8
193.05003	0.3
197.11761	22.1
198.12144	1.2
199.13309	1.6
200.13573	0.2
209.11769	100.0
210.12119	6.0
211.13332	4.6
223.16922	0.3
225.11357	0.3
227.12839	12.2
228.13176	1.1
235.08162	3.4
236.08345	0.2
241.07501	0.3
251.16479	0.5
253.09262	13.4
254.09575	0.3
263.20151	1.5
265.18002	0.4
273.18719	0.7
283.09735	0.5
291.19656	7.8
292.20010	0.6
293.21185	0.2
297.11359	0.9
309.20709	28.9
310.21030	2.9
325.20273	0.6
445.20929	1.2
457.11475	0.9
463.21759	0.3
501.31766	0.2
545.29309	0.3
755.42505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.7
58.00466	3.4
59.01247	15.8
61.98698	4.5
66.63788	1.0
69.03329	2.5
69.20552	10.9
71.01250	14.5
71.57742	1.0
72.99149	1.6
73.02808	3.2
74.15688	1.1
80.96391	1.4
83.01266	2.0
83.04892	2.6
84.02048	1.3
85.02831	3.1
87.00761	3.7
89.02306	7.5
95.01234	1.1
97.02811	6.1
97.06440	3.6
98.19785	2.0
99.00772	1.2
101.02324	9.9
109.06451	1.1
109.63161	1.1
111.08040	7.2
113.02314	7.4
116.14472	1.0
119.03405	1.7
123.04261	1.1
123.08066	2.0
125.02321	1.5
125.09577	2.6
137.09610	1.9
141.12743	1.9
143.03366	1.2
145.65929	1.1
151.11221	3.2
153.12764	1.7
155.10663	1.6
155.14346	1.4
161.04448	4.2
163.11166	4.1
165.12743	7.3
167.10657	2.4
169.12242	8.5
171.10173	6.8
171.13803	1.9
179.05562	1.4
179.10652	1.1
181.12268	5.6
183.13829	23.0
185.11760	10.4
191.10701	2.4
191.14195	1.2
193.12212	4.1
197.11757	32.2
198.12132	2.0
199.13321	46.3
207.10204	2.3
209.11774	33.1
210.12053	1.5
211.13332	86.0
212.13693	4.3
223.13347	1.8
225.11243	2.1
227.12842	100.0
228.13243	5.6
229.14426	4.5
235.08167	6.7
245.13858	2.0
245.19038	3.9
247.20625	2.4
253.09270	29.2
254.09621	1.3
263.20151	4.3
265.18140	1.2
289.18033	12.1
291.19638	33.2
292.19977	2.1
293.20956	1.3
297.11246	1.8
307.19125	10.1
309.20697	60.4
310.21054	5.3
445.20502	4.4
447.22147	1.8
463.21823	14.2
464.22025	1.8
483.30539	1.5
501.31821	3.0
519.33771	1.2
545.29663	2.3
737.39911	2.0
750.75787	1.1
755.41980	20.3
756.42950	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	755.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.3
57.73780	0.9
59.00949	1.4
59.01239	11.7
61.98697	8.0
66.32236	1.0
69.46755	5.0
69.47160	2.8
71.01254	7.2
73.02821	2.1
78.91767	7.1
81.03321	1.1
83.01210	1.2
83.04895	1.8
85.02822	2.5
87.00753	1.0
89.02316	4.2
97.06463	1.6
101.02300	6.4
103.87531	1.1
109.06489	1.2
111.08045	9.3
111.80985	1.0
113.02333	4.0
139.97014	1.0
161.04492	2.1
163.11168	2.1
165.12743	11.4
169.12227	5.9
171.10245	2.6
179.05537	1.5
183.13821	100.0
184.14124	5.4
191.82362	1.0
197.11760	42.0
198.12073	1.5
199.13277	4.0
201.11240	1.3
209.11758	18.4
209.15172	1.1
210.12070	6.1
211.13417	13.7
211.33083	1.1
212.52107	1.1
227.12868	10.7
235.08112	3.4
251.16356	1.6
253.09305	11.4
263.20200	2.7
289.18164	1.5
291.19733	8.4
293.21289	1.8
307.19083	1.9
308.19626	2.0
309.20706	23.8
310.21075	1.9
325.20090	1.5
345.85999	1.0
407.65225	1.1
445.20499	3.1
446.21045	1.3
463.21744	3.3
657.34656	5.0
737.41162	2.5
755.42151	94.9
756.42511	28.6
764.57532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77106	2.0
57.03321	10.3
58.74850	1.9
60.67001	2.0
71.50408	3.8
83.01206	2.1
93.03331	3.1
107.04898	2.3
109.02840	5.1
121.02840	2.9
125.02330	100.0
126.02676	2.7
133.02846	3.5
137.02333	14.9
139.03963	2.6
149.02333	5.4
151.03922	11.2
159.04414	2.9
161.02335	18.5
163.00249	4.7
165.01732	3.3
167.03371	7.2
169.01320	10.8
175.03964	12.4
177.01831	75.8
177.05536	2.2
178.02188	5.1
187.03918	2.3
193.04926	3.8
199.03932	5.2
201.01862	2.7
201.05627	2.8
217.04958	8.4
219.02887	4.4
221.04314	2.3
227.03372	6.3
229.01445	3.1
229.04950	2.6
240.76474	2.5
243.02896	13.9
245.04642	2.9
255.02934	11.5
256.03677	3.3
261.04047	6.0
269.04572	6.8
271.06219	2.6
273.04047	3.3
283.02490	7.0
285.03995	4.7
287.05716	14.4
297.04047	5.7
301.03473	4.8
303.04874	5.7
305.06528	10.1
305.46826	2.1
381.38043	2.4
387.04980	2.1
405.06189	3.6
423.07181	56.9
424.07407	5.7
439.06573	2.1
451.10355	6.2
465.08243	2.7
569.10809	6.1
587.12079	3.6
591.11151	6.0
779.45795	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	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47508	0.3
55.01756	0.3
57.03320	0.6
58.00467	0.4
59.01247	5.0
61.98702	2.4
69.03338	0.6
70.97742	0.5
71.01252	3.4
73.02808	1.1
80.02555	1.1
81.03334	1.3
83.01257	0.6
83.04897	4.8
84.02051	0.4
85.02817	1.1
87.00750	0.7
89.02314	2.4
95.04879	0.4
96.95880	0.5
97.02824	0.5
101.02327	2.8
102.69045	0.3
107.41243	0.3
109.06482	0.8
111.08044	7.1
112.08427	0.4
113.02328	1.9
119.03394	0.7
121.71783	0.3
125.05982	0.4
127.07603	0.5
133.04977	0.3
135.02936	0.4
135.08044	0.7
137.09668	0.4
139.14975	0.3
141.09221	0.3
151.11247	0.3
153.09180	0.3
153.12769	0.9
161.04465	1.5
163.11200	3.7
163.70061	0.3
165.12766	2.2
165.43394	0.3
169.12285	2.6
171.10184	1.0
176.31387	0.3
176.43784	0.3
179.05612	0.4
181.12254	1.2
183.13892	0.5
191.10738	1.2
197.11765	36.1
198.12134	1.8
199.13368	2.3
209.11771	100.0
210.12131	6.8
211.13338	7.7
227.12843	12.8
228.13193	0.7
233.15396	0.4
235.08159	2.9
251.16502	0.8
253.09261	14.9
254.09480	0.8
263.20151	1.7
265.17993	1.0
273.18597	0.8
283.09637	0.4
291.19647	14.5
292.19958	1.2
309.20700	44.2
310.21088	4.0
325.20114	0.4
372.60031	0.3
433.20633	0.3
445.20807	1.1
495.81357	0.3
501.32104	0.4
545.29913	0.7
755.42664	0.4
755.92950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23232	0.2
57.01042	0.2
60.99163	0.2
61.98703	100.0
62.98410	0.3
71.49302	0.2
71.49702	0.2
78.95817	0.2
80.96379	0.4
88.98675	1.0
116.48649	0.2
125.02348	0.7
157.64340	0.2
161.02362	0.3
169.01355	0.5
177.01799	0.2
209.11801	0.5
225.00858	0.2
258.90363	0.1
375.27411	0.4
376.28006	0.3
385.69302	0.2
457.46692	0.2
755.31946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19594	0.6
57.03323	14.0
57.10616	0.7
65.03819	0.6
67.01778	0.6
67.54205	0.5
75.03831	0.6
81.03342	1.2
83.01252	2.3
93.03349	2.5
95.01251	1.1
95.04886	1.4
96.95879	1.1
98.19775	1.5
105.03318	2.4
107.04902	1.9
109.02846	5.3
111.04422	0.8
112.64799	0.6
119.04884	1.4
121.02851	4.0
123.00802	0.6
124.01571	1.1
125.02338	100.0
126.02680	3.4
128.03470	0.7
131.04924	2.3
133.02821	4.4
135.00755	0.6
137.02353	14.7
139.03911	4.3
143.04831	0.9
145.02840	2.6
147.00798	0.7
149.02348	7.3
149.06000	0.8
151.03928	10.9
158.03699	0.8
159.04457	1.5
161.02342	17.3
162.02951	0.7
163.00285	4.9
163.03914	1.9
164.01082	3.3
165.01846	6.2
167.03452	3.7
173.05988	1.3
175.00336	3.2
175.03932	17.5
176.01056	0.9
176.04115	0.7
177.01860	83.3
178.02185	4.8
179.03387	3.3
183.04456	1.1
187.03941	2.6
189.01848	1.8
189.05560	0.8
190.05754	0.7
191.03532	3.2
193.05003	3.9
197.06068	0.9
199.03911	3.7
200.04732	0.8
201.01857	1.8
201.05530	2.7
203.03429	3.3
205.01289	1.0
205.05022	0.8
211.03903	0.9
213.05548	1.1
214.02568	0.9
215.03432	2.8
217.01419	0.7
217.05028	9.1
218.05223	0.7
219.02913	4.7
219.06511	3.2
221.04500	1.7
227.03456	3.6
228.04083	1.3
229.01459	3.3
229.05028	3.6
230.40776	0.6
239.41577	0.6
241.05103	1.0
243.02983	15.9
243.06615	0.8
244.03284	1.7
245.04498	1.8
251.03398	0.8
253.05055	1.0
255.02969	12.6
256.03632	2.8
257.04498	2.2
261.04059	6.4
261.06802	0.9
267.03049	0.8
269.04565	6.4
269.07532	0.9
270.04846	0.7
273.04004	4.4
283.02466	6.7
285.04004	3.5
287.05606	11.2
288.02646	0.6
288.06326	1.1
295.02411	0.6
295.06271	1.3
297.04007	4.5
299.05359	0.9
301.03537	5.6
302.03970	0.9
303.05002	6.5
305.06638	15.4
306.07281	2.1
310.63977	0.7
313.03592	2.3
315.04904	1.5
327.05093	1.2
337.07224	1.3
355.08078	0.8
379.08319	1.5
387.05148	2.3
397.09186	0.6
405.06137	5.0
423.07224	60.6
424.07553	7.3
439.06393	1.6
441.08295	4.6
442.09146	0.7
451.10458	2.7
452.07358	0.8
453.08139	1.4
465.08325	3.8
483.09406	4.1
547.12738	0.9
568.02637	0.7
569.11176	3.1
587.11786	4.2
588.12457	0.8
591.11346	4.6
592.11816	0.8
609.12561	6.4
748.95227	0.8
755.15607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20813	0.4
55.93561	0.3
58.66188	0.4
59.01247	16.4
61.98695	0.8
66.14999	0.3
69.99603	1.9
71.01244	2.7
80.96394	2.1
85.02810	0.7
89.02317	1.3
94.97971	0.6
101.02328	2.2
113.02338	1.1
115.98058	0.4
119.03416	0.5
143.10478	0.4
152.23778	0.4
153.12825	0.9
160.05339	0.4
161.04469	0.7
169.12242	4.8
179.05502	0.5
195.52100	0.5
197.11758	100.0
198.12105	5.0
207.10080	0.5
225.00706	0.7
235.08162	1.2
253.09274	5.0
277.21701	49.2
278.21988	3.9
415.19974	0.8
433.20694	6.0
434.20966	0.7
581.16376	0.4
608.09186	0.4
693.43109	0.8
753.40515	3.2
754.41504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24395	0.8
57.03324	0.8
59.01253	7.0
60.23844	0.8
61.98689	2.8
65.09052	0.6
67.01768	0.7
67.08834	0.7
69.03339	0.7
71.01255	4.2
71.49140	0.9
73.02824	1.3
78.67314	0.7
80.96411	1.6
85.02861	1.8
87.00763	1.2
89.02333	2.9
95.04913	0.9
95.48688	0.8
97.02832	1.0
99.00735	0.8
101.02312	3.3
107.00420	0.7
109.06467	2.7
111.08040	7.5
113.02329	2.7
125.02322	2.5
129.37308	1.0
137.09636	0.9
143.03278	0.8
161.04434	1.4
163.11177	1.4
167.10652	2.1
169.01326	2.0
171.10233	0.8
177.12788	1.5
179.05562	1.2
179.10707	1.2
183.13777	5.5
193.12305	1.6
195.13765	3.8
197.11748	2.4
207.10252	5.4
209.11745	4.3
211.13338	100.0
212.13655	7.0
225.11221	3.9
227.12906	0.9
235.08185	3.5
247.20615	1.1
253.09286	7.5
255.09741	0.9
273.18866	1.0
277.21606	1.0
291.19653	91.2
292.19968	9.5
293.21329	1.0
297.11255	2.7
309.20792	3.7
315.44711	0.8
447.22372	5.5
448.22626	0.9
509.27606	2.1
527.28528	8.1
528.29144	1.2
677.33020	0.9
703.41046	1.4
721.41663	1.4
753.40735	3.4
754.40704	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	752.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10270	0.1
58.81126	0.1
61.98701	100.0
62.12572	0.1
62.98407	0.2
65.21726	0.1
66.63382	0.1
67.08994	0.1
71.01293	0.1
75.00764	0.1
77.23341	0.1
80.96398	0.5
94.98000	0.1
96.95884	0.1
111.22060	0.1
125.02338	0.2
128.03415	0.8
136.94525	0.1
169.01337	0.1
185.11719	0.2
209.11797	0.5
210.12140	0.2
211.13432	0.5
225.00775	0.2
225.11369	0.1
229.24728	0.1
326.57275	0.1
444.12949	0.1
469.44937	0.1
753.32837	0.5
773.26074	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	752.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.1
61.98701	100.0
62.98382	0.1
71.01254	0.2
79.95601	0.1
80.96378	0.6
87.28683	0.1
101.02343	0.1
123.00684	0.1
135.08018	0.1
169.01389	0.1
171.10199	0.3
180.06688	0.1
203.62279	0.1
209.11789	0.6
211.13307	0.3
212.13733	0.1
227.12900	0.2
229.36223	0.1
253.95538	0.1
289.18103	0.2
291.43607	0.1
567.71710	0.1
676.46637	0.1
753.33148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03307	1.2
58.00454	0.4
59.01249	6.2
60.25491	0.3
61.98698	12.8
62.49008	0.3
69.03326	1.0
70.71696	0.3
71.01250	5.4
71.04910	0.4
72.99194	0.3
73.02811	1.1
75.00729	0.4
75.78840	0.2
78.91756	0.8
80.02543	1.9
81.03337	2.3
83.01241	1.6
83.04897	5.9
84.02028	1.1
85.02825	1.6
87.00745	1.2
89.02309	2.5
91.03924	0.3
93.03327	0.5
95.01263	0.5
95.04919	1.5
97.02831	1.7
97.06455	1.8
98.20578	0.9
99.00760	0.7
101.02323	4.1
102.02589	0.3
105.27198	0.3
109.02838	0.4
109.06474	2.9
111.00764	0.4
111.08035	1.0
113.02319	2.5
119.03383	1.0
121.06482	0.7
123.04399	1.2
123.08035	1.0
125.02342	0.7
125.05939	0.9
125.09609	2.5
135.08052	1.4
137.09615	1.4
141.12732	0.4
142.02629	0.4
143.03452	0.5
145.04939	0.4
147.11763	0.5
149.09563	0.3
150.10341	0.3
151.11194	1.3
153.12717	0.3
161.04514	1.6
161.09628	0.6
163.11198	7.5
164.11534	0.4
165.12766	4.1
167.10719	0.7
169.01366	0.4
169.12218	0.6
171.10194	3.0
175.11232	0.5
177.12804	0.8
179.05519	0.6
179.10678	0.9
181.12248	2.4
183.13829	1.2
183.69351	0.3
185.11771	3.3
191.10699	1.5
191.14342	2.6
197.11751	4.1
199.13245	0.6
203.14525	0.4
207.10202	6.5
208.10545	0.3
209.11763	100.0
210.12097	6.2
211.13338	6.2
212.13644	0.6
221.11777	0.5
225.11282	5.0
226.11777	0.6
227.12827	13.2
228.13196	0.9
229.42976	0.5
235.08212	2.9
237.11279	1.5
243.17509	0.4
245.19063	5.5
249.14696	0.5
253.09247	10.4
254.09610	0.7
263.20126	3.2
271.16946	0.9
279.19772	0.4
289.18079	28.2
290.18338	2.1
291.19669	3.2
305.17761	0.3
307.19128	25.4
308.19482	1.9
309.20734	3.7
323.18829	0.5
325.20694	0.3
327.19476	0.5
331.19107	0.5
345.20706	0.3
401.23257	0.8
411.81369	0.3
419.24490	0.4
445.20679	1.4
461.20389	1.1
463.22653	0.3
499.30597	0.3
517.31653	0.6
525.27069	0.5
543.28156	1.3
594.06439	0.3
637.32025	1.0
655.32678	0.6
717.38599	0.5
734.95081	0.3
735.39478	1.4
753.40686	4.7
754.40942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88351	0.1
54.88618	0.1
59.01255	0.1
61.98699	100.0
62.30074	0.1
62.35900	0.1
62.98407	0.2
70.46278	0.4
71.01256	0.1
75.00761	0.3
79.95607	0.2
80.96386	0.8
83.28136	0.1
88.98616	0.2
92.35389	0.1
94.97955	0.3
96.03433	0.1
96.95886	1.0
98.03178	0.1
98.95464	0.2
101.02366	0.1
119.45550	0.1
125.02305	0.4
164.98540	0.2
166.50989	0.1
169.01352	0.2
171.10204	0.2
199.13477	0.1
207.10201	0.2
209.11769	0.8
210.12138	0.2
211.13376	0.4
225.00720	0.3
227.12950	0.2
271.02405	0.2
316.02280	0.2
348.37390	0.1
397.13742	0.2
499.93253	0.1
660.83600	0.1
752.32251	0.3
753.32898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14186	0.3
55.01744	0.4
57.03315	1.1
58.00466	0.6
59.01244	6.8
61.98686	1.4
69.03316	2.8
69.20443	3.4
71.01247	5.5
71.04885	0.8
73.02817	0.7
75.00738	0.3
81.16174	0.3
83.01264	0.5
83.04897	0.6
85.02815	1.5
85.06428	0.3
87.00740	0.9
89.02311	2.9
95.01256	0.4
95.04876	0.9
97.02802	0.4
97.06455	0.3
98.20573	0.7
99.00722	0.5
101.02324	4.8
106.20369	0.3
109.06446	1.0
111.08031	8.4
112.08390	0.4
113.02344	2.3
113.38589	0.3
119.03384	1.1
120.68970	0.3
121.06392	0.3
125.02328	0.7
125.09614	1.0
127.07522	0.6
135.11681	0.4
143.03360	0.5
145.04921	0.3
149.09639	0.7
151.11230	0.8
153.09103	0.5
153.12782	0.6
161.04456	2.1
161.13319	0.4
167.10658	3.1
169.12216	3.9
170.12636	0.4
177.12788	0.5
179.05521	0.6
179.10764	1.7
179.14340	3.0
181.12218	0.7
183.13861	0.6
193.12256	0.4
195.13831	9.2
196.14188	0.9
197.11752	47.2
198.12096	3.2
199.13332	2.7
205.12268	10.0
207.10324	0.6
208.64436	0.4
209.11852	0.7
209.15379	0.7
211.13315	6.3
221.11769	0.6
223.13336	100.0
224.11583	0.6
224.13676	7.1
225.11261	0.7
227.12828	1.5
231.13783	0.8
235.08171	4.5
235.16910	0.3
236.08556	0.4
247.20438	0.4
249.14905	2.5
251.16586	0.8
253.09254	16.5
254.09653	0.9
263.20132	2.0
265.18079	1.0
268.96881	0.3
273.18665	0.8
290.02173	0.4
291.19650	14.5
292.19998	1.2
293.21115	0.4
297.11444	1.3
305.17450	0.3
309.20691	54.2
310.21011	5.3
433.20694	1.0
436.80161	0.4
441.21234	0.8
459.22388	9.0
460.22656	1.0
485.24124	0.6
515.33594	0.9
527.28711	0.7
545.29480	1.5
546.29504	0.4
583.82617	0.4
684.08057	0.3
751.42029	0.9
752.44165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
61.98703	0.7
69.18680	0.2
69.20581	1.5
71.01242	1.2
72.99172	2.7
73.02824	0.2
73.99509	0.2
75.00742	100.0
76.01071	0.9
81.03295	0.2
83.01270	0.2
85.02814	0.3
87.00723	0.3
87.39757	0.1
89.02320	1.2
91.41418	0.1
97.02792	0.2
99.00706	0.1
101.02314	0.9
113.02352	0.5
119.03394	0.4
121.32829	0.2
125.02326	0.4
161.04477	0.3
173.41736	0.1
179.05498	0.3
207.10143	0.2
209.11722	0.3
225.11255	0.4
227.12608	0.1
235.08197	0.6
253.08998	0.2
255.81049	0.1
277.21704	3.2
278.22043	0.3
305.08713	0.2
322.54251	0.2
397.13464	5.5
397.18677	0.3
398.13800	0.6
415.14496	1.9
416.14880	0.2
557.60791	0.2
675.35919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26964	0.6
56.25911	0.5
57.03316	0.9
59.01250	6.3
61.98695	3.0
69.03311	2.1
69.21510	2.9
69.21935	3.0
69.54309	0.6
71.01250	5.3
71.04893	1.2
72.99178	1.8
73.02829	1.0
83.01260	0.6
83.04910	1.1
85.02822	1.2
85.06447	0.8
87.00775	1.3
89.02317	3.6
95.04899	0.8
101.02318	3.3
109.06475	1.4
111.08040	6.0
113.02332	3.0
119.03398	0.8
125.02360	3.9
125.09619	0.8
143.03424	0.8
145.04967	0.5
149.09651	1.0
151.11220	0.7
161.04445	2.6
163.11209	0.9
167.10674	3.2
169.01323	1.2
169.12262	2.1
177.01866	1.6
177.12909	0.6
179.05505	0.7
179.10663	1.4
179.14346	3.4
183.13756	0.8
195.13834	8.8
196.14117	0.8
197.11763	30.1
198.12100	1.3
199.13353	1.2
205.12283	9.6
206.12592	0.8
207.10202	0.9
209.11732	1.1
211.13260	3.9
221.11784	3.5
223.13344	100.0
224.13649	7.9
225.11281	0.9
227.12958	0.8
235.08229	8.7
239.12827	1.5
253.09259	16.4
254.09723	1.1
263.20212	2.7
265.18161	0.9
273.18665	0.8
281.05023	0.7
291.19647	11.0
292.20129	1.4
293.21185	1.8
293.56973	0.5
297.11417	0.8
299.33514	0.6
309.20706	44.0
310.21078	4.5
322.94623	0.7
459.22272	12.3
460.22955	0.9
515.33539	1.0
546.43408	0.6
751.40356	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	749.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
61.98697	4.3
63.96103	1.4
69.84298	1.9
71.01252	6.9
73.02810	1.6
78.98462	5.7
79.95602	11.5
80.96389	72.0
81.03298	0.8
85.02821	2.7
87.00767	2.6
89.20412	0.5
94.97958	15.9
95.01281	0.6
96.95927	0.6
97.02831	1.8
101.02319	2.4
106.97975	4.0
122.97484	3.4
125.02328	3.4
127.03870	0.6
134.02802	0.5
134.97475	5.5
136.99007	1.6
145.24182	0.5
148.99052	7.3
152.98532	6.8
164.98552	11.0
167.00165	0.7
206.99640	3.3
211.13365	1.6
225.00694	18.5
225.51857	0.7
226.01030	0.7
255.23289	1.2
270.07196	0.6
402.71490	0.7
493.17358	2.0
537.27350	1.4
629.69531	0.6
749.41473	100.0
750.41711	23.4
773.85773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09961	0.3
55.54922	0.3
59.01246	0.5
61.98703	4.4
63.96106	1.2
69.03313	0.6
69.83914	1.3
69.84328	0.6
71.01256	6.3
73.02813	1.6
78.98461	4.6
79.95602	10.7
80.06374	0.3
80.96388	55.3
81.03332	0.5
83.01262	0.4
85.02818	1.9
87.00751	2.4
94.97961	13.2
96.95877	1.0
97.02828	1.1
98.19907	0.5
99.00760	0.5
101.02338	2.2
106.97989	2.3
113.02334	0.6
122.97482	2.7
125.02348	2.7
127.03946	0.6
134.97484	3.9
136.99019	1.1
146.97409	0.5
148.99043	5.3
152.98543	4.8
164.98549	9.9
167.00101	0.3
188.98586	0.4
202.32909	0.4
206.99623	2.1
211.13341	1.6
225.00694	16.0
226.01057	0.5
255.23244	1.0
255.46082	0.4
493.17502	2.0
537.27484	1.3
553.54639	0.3
726.34180	0.3
749.41467	100.0
750.41766	20.4
750.55762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.4
61.98697	12.7
63.96103	1.7
69.03307	1.4
70.16656	3.0
71.01254	10.1
73.02808	2.4
78.98463	8.3
79.95602	16.6
80.96389	100.0
81.03329	1.4
83.01263	0.8
84.73441	0.7
85.02822	3.9
87.00760	3.9
94.97961	25.8
96.95910	1.9
97.02820	2.1
99.00735	1.1
101.02314	3.2
106.97974	3.8
113.02358	0.8
122.97458	4.4
125.02319	4.2
127.03895	0.8
134.97501	6.1
136.99054	2.1
148.99046	9.5
152.28047	0.8
152.98526	9.4
164.98543	17.1
180.30823	0.7
206.99611	2.8
211.13193	1.2
225.00703	23.8
255.23221	3.0
262.42343	0.9
477.03519	0.9
493.17563	2.6
537.27435	1.3
547.70160	0.8
749.41467	94.2
750.41785	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	749.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51044	0.5
56.08572	0.4
59.01253	0.6
61.33545	0.5
63.96110	1.5
69.03339	0.7
69.84115	1.8
69.84544	0.9
71.01252	6.2
73.02824	1.6
78.98464	6.6
79.95603	11.9
80.96391	68.7
81.03325	0.8
83.44447	0.4
85.02834	2.4
87.00734	2.6
94.97960	14.3
96.95892	0.7
97.02823	1.3
99.00745	0.6
101.02314	2.3
106.97966	2.9
120.55527	0.4
122.97488	3.4
125.02377	2.4
127.03922	0.5
134.97476	3.9
136.99022	1.2
148.99055	6.2
150.24565	0.5
152.23077	0.4
152.98547	6.3
164.98541	11.2
167.00046	0.5
206.99620	2.5
211.13275	1.4
225.00690	15.4
226.00891	0.8
243.01897	0.5
255.23177	1.0
268.84085	0.4
283.05054	0.7
493.17148	1.6
537.27301	1.4
622.54846	0.6
680.11121	0.4
728.74274	0.5
749.41486	100.0
750.41711	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03314	2.4
59.01250	10.7
62.09718	0.8
70.87109	2.1
71.00903	1.3
71.01255	14.8
72.99181	5.1
73.02805	1.4
75.00318	0.9
75.00745	16.3
81.03357	0.9
83.01252	3.0
84.02039	1.7
85.02821	20.0
87.00746	7.0
89.02316	3.2
95.01265	4.8
99.00764	10.0
101.91045	0.7
103.00235	1.6
113.02331	18.6
115.00272	2.4
117.01820	3.3
122.94006	0.9
125.05942	0.8
129.01804	2.5
136.88145	0.7
138.14290	0.8
157.01343	1.0
163.11198	5.1
165.12733	2.5
175.02370	4.1
181.12271	1.2
191.10791	1.0
193.03481	1.0
205.07201	0.9
209.11769	61.7
210.12090	3.1
227.12874	4.6
249.06119	1.8
255.23271	40.4
256.23575	3.3
297.11313	1.4
302.34814	0.8
342.84729	0.8
477.19873	1.8
484.39163	0.9
503.13013	0.9
509.23001	1.0
549.45764	0.9
697.41302	1.8
715.42719	100.0
716.43115	20.9
747.45367	78.4
748.45728	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.4
60.99176	18.1
61.98697	3.4
71.01255	0.7
72.99172	1.0
75.00721	0.3
77.67083	0.3
87.00751	1.6
88.00272	1.8
88.98680	100.0
89.02312	8.4
89.99023	1.1
113.02295	0.4
120.49576	0.4
125.02332	1.2
162.37520	0.3
169.01353	1.5
171.10127	0.6
197.11836	0.5
207.10271	1.0
209.11783	2.7
211.13332	3.9
212.13579	0.4
225.11314	1.2
227.12782	0.7
253.05086	0.5
253.09048	0.5
255.02985	0.8
271.02383	1.8
299.01965	1.0
300.02716	2.2
301.03174	0.5
301.19934	0.4
315.01495	0.6
316.02243	0.7
383.22290	0.6
401.23386	0.9
418.82883	0.4
531.11115	0.6
594.72900	0.5
601.30621	0.4
637.32349	1.4
638.32898	0.4
655.33398	0.5
677.15497	1.3
678.16290	0.5
679.15649	0.7
747.34741	0.5
748.18628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.3
57.03328	1.3
58.00462	1.8
59.01245	20.6
63.39902	1.0
69.30265	7.8
69.30663	1.7
71.01255	19.0
72.99198	1.5
73.02821	2.5
76.90678	0.8
77.74247	0.9
80.62395	1.1
83.01260	3.4
85.02828	6.2
87.00754	2.0
89.02319	12.2
92.73650	1.1
93.03340	4.2
95.01246	2.7
96.95889	2.1
99.00784	1.4
101.02330	13.9
113.02343	7.4
119.03414	4.9
121.02840	6.1
122.03619	14.4
123.00750	1.2
123.04407	1.1
125.02338	2.7
131.03430	1.1
133.02826	1.2
135.04495	1.3
136.01549	2.5
137.02370	1.7
137.07791	1.2
145.02837	1.7
147.04329	1.3
149.02344	30.7
149.05977	1.7
150.03130	100.0
151.00394	1.4
151.03590	4.1
161.02356	1.8
161.04491	1.9
162.03136	5.1
163.03905	1.6
164.04674	5.1
165.05489	84.1
166.05829	5.2
169.01315	1.5
175.03862	1.7
177.05457	3.8
179.05534	2.4
180.04247	5.5
181.04834	1.4
195.06573	36.3
196.06941	2.5
241.36398	1.1
298.08264	1.4
306.61368	1.3
311.09341	2.3
313.10849	1.7
329.10233	2.6
341.10324	4.9
344.12671	3.3
356.12704	2.9
357.13220	1.9
359.15085	8.2
371.14981	4.6
385.12720	1.2
389.15060	1.4
461.16022	1.9
475.16794	1.1
491.15390	2.1
503.15640	3.9
504.16440	1.3
506.17758	5.4
507.19382	2.0
518.17810	1.7
519.19952	3.8
521.20197	26.8
522.20734	5.0
533.20313	30.4
534.20758	2.9
537.20673	2.9
551.21466	2.0
585.22870	2.8
648.11896	1.4
669.25299	3.1
681.25519	28.4
682.25739	6.9
699.14410	1.9
699.26587	39.2
700.27051	6.8
729.27283	2.1
730.27551	1.3
747.28723	23.2
748.28931	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	746.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.4
61.98711	1.8
66.44127	0.9
71.01243	1.8
71.49416	1.3
71.49828	1.5
89.02328	2.2
93.03287	1.1
96.95892	1.5
101.02338	2.2
110.19033	0.9
120.01138	100.0
120.38095	0.9
120.95767	0.9
121.02873	1.1
122.03625	4.2
125.02324	3.8
149.02322	5.6
150.03125	28.1
151.03629	1.4
165.05476	21.5
166.05753	1.1
167.03377	1.2
169.01340	2.3
177.01831	1.0
178.99933	1.1
195.06546	12.5
258.45734	0.9
262.52258	1.2
285.08356	1.0
351.72028	1.0
387.14374	1.1
521.20221	8.1
533.20215	7.2
681.25928	1.2
699.26642	5.0
745.27271	1.3
747.29089	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	745.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01247	16.6
61.98672	1.2
69.03318	1.5
71.01235	3.5
71.04890	0.5
73.02814	0.5
73.17978	0.3
75.67527	0.3
78.95792	0.3
83.01233	0.4
83.04884	0.5
85.02814	1.0
85.06430	0.4
87.00754	0.9
89.02304	2.1
98.20562	0.9
101.02319	2.7
102.14108	0.4
103.00237	0.8
113.02319	1.5
118.33414	0.4
119.03326	0.8
125.02341	0.5
145.04988	0.6
161.04436	1.5
167.10661	2.7
167.14304	0.6
177.12791	0.5
179.10690	1.0
179.14415	2.1
181.12216	0.4
183.13820	7.2
184.14027	0.5
193.12268	1.9
195.13824	8.0
205.12276	6.5
211.13327	100.0
212.13663	5.1
223.13335	74.7
224.13693	4.1
229.10097	0.5
235.08186	3.0
253.09245	6.3
281.24863	0.5
310.76596	0.3
399.25369	0.8
417.26660	0.7
429.21277	1.1
441.21075	2.8
447.22351	10.4
448.22632	0.8
459.22324	11.9
460.22806	1.2
483.75562	0.3
509.28976	0.5
539.47565	0.4
606.89740	0.4
609.32910	0.8
635.34192	4.8
636.34479	0.5
653.35486	5.6
654.35907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.4
61.98711	1.8
66.44127	0.9
71.01243	1.8
71.49416	1.3
71.49828	1.5
89.02328	2.2
93.03287	1.1
96.95892	1.5
101.02338	2.2
110.19033	0.9
120.01138	100.0
120.38095	0.9
120.95767	0.9
121.02873	1.1
122.03625	4.2
125.02324	3.8
149.02322	5.6
150.03125	28.1
151.03629	1.4
165.05476	21.5
166.05753	1.1
167.03377	1.2
169.01340	2.3
177.01831	1.0
178.99933	1.1
195.06546	12.5
258.45734	0.9
262.52258	1.2
285.08356	1.0
351.72028	1.0
387.14374	1.1
521.20221	8.1
533.20215	7.2
681.25928	1.2
699.26642	5.0
745.27271	1.3
747.29089	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45871	1.1
56.27465	0.8
59.01237	3.2
71.01251	1.7
71.49825	1.0
81.03348	1.0
87.00735	1.0
89.02325	2.8
93.03336	2.6
101.02315	2.2
109.02842	1.5
119.03355	1.3
120.01138	36.2
121.02852	13.4
122.03632	13.5
123.00746	1.1
123.04433	1.0
124.01586	1.9
125.02364	4.4
133.02823	2.5
134.03612	2.0
135.04427	7.6
136.01570	19.9
137.02364	4.5
139.03912	1.2
147.04399	2.2
149.02354	28.5
150.03130	87.1
151.00279	3.9
151.03922	27.2
152.01012	1.3
161.02393	1.5
161.06055	1.1
162.03188	1.8
163.03877	3.2
164.04739	6.1
165.05484	100.0
166.02643	16.0
166.05847	3.3
167.03395	4.6
169.01344	4.2
172.05232	1.6
175.03934	4.1
175.93060	0.9
177.01848	1.9
177.05455	2.4
179.03320	1.1
179.07057	1.4
180.04231	6.3
181.04980	22.0
189.05478	3.5
190.06281	7.8
191.03442	1.0
195.06558	57.1
195.93433	0.9
196.06816	2.4
205.08595	2.2
221.08078	1.8
259.02499	1.2
266.05652	1.0
271.02493	1.5
329.10391	3.8
341.10330	0.9
342.10928	1.9
355.12009	1.2
356.12598	2.7
357.09641	5.0
357.13416	9.2
358.13931	1.2
369.13300	1.6
372.12155	3.3
373.12650	1.0
386.13583	2.6
387.14505	45.9
388.14880	5.8
439.07126	4.3
490.16260	1.2
505.18674	3.6
535.19708	56.2
536.19983	7.6
553.20654	2.1
565.20758	2.2
583.21875	36.8
584.21979	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.6
57.03323	2.1
58.00475	4.3
59.01250	93.4
65.97734	0.5
70.78959	1.8
71.01254	75.6
72.01584	0.8
72.42010	0.6
72.99174	6.7
73.02791	1.6
74.63277	0.6
75.00769	0.8
83.01255	3.0
85.02824	11.4
87.00754	6.8
89.02317	100.0
90.02657	1.3
91.57960	0.6
93.03315	1.4
95.01266	4.8
101.02323	39.1
102.02670	0.9
105.03336	0.7
108.02040	1.5
109.02799	0.7
113.02332	32.4
114.02694	0.6
117.03358	1.7
119.03389	43.0
121.02831	4.0
122.03614	5.9
123.00735	1.3
123.04415	1.1
124.01541	0.8
125.02348	5.3
131.03400	4.4
133.02834	1.2
134.03604	0.9
135.04413	1.3
136.00519	1.2
136.01558	17.2
137.02313	2.6
143.03413	10.3
145.02869	9.4
146.03650	3.0
147.04395	1.2
149.02359	7.0
149.04387	3.6
150.03136	37.7
151.00269	5.9
151.03928	16.8
161.02373	8.7
161.04443	7.0
161.05821	1.5
162.03136	36.5
163.03752	1.5
164.04694	1.3
165.05479	39.3
166.01262	1.2
166.02634	18.8
166.05789	1.8
167.03273	1.2
169.01324	2.1
175.03847	0.8
177.01926	3.0
177.05499	20.8
178.05734	0.8
179.05530	19.9
180.04234	4.8
180.05679	1.3
181.03430	1.1
181.04987	18.1
182.05312	0.9
189.05496	0.9
190.06329	1.5
191.03387	1.0
192.04227	0.8
193.04892	0.7
195.06561	43.3
195.38715	0.6
196.06847	1.5
205.08667	0.7
207.06551	1.0
219.06644	0.7
221.08011	0.7
257.53473	0.6
310.08160	0.6
342.11041	1.0
355.11694	0.7
357.09216	1.8
357.12900	3.6
372.12100	1.8
373.12402	1.0
386.13623	0.8
387.14517	19.6
388.14896	1.5
400.75565	0.6
401.15900	0.6
421.14932	0.8
493.57074	0.6
535.19330	1.8
547.11853	0.8
547.19562	11.0
548.19843	1.9
583.22003	6.9
584.21832	1.4
745.27209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96068	2.0
57.03317	9.0
67.35387	1.9
69.84853	6.6
69.85262	4.5
83.01272	2.9
96.26990	2.4
109.02837	11.7
117.03293	2.1
117.50353	2.3
121.02815	5.0
123.00849	2.6
123.04379	6.0
125.02330	96.6
126.02640	3.1
133.02840	2.4
135.04382	2.8
137.02339	17.1
149.02316	13.3
151.03917	7.9
159.04396	4.3
161.02321	2.9
161.05991	6.3
163.00287	3.9
163.03947	3.6
164.00998	2.7
165.01830	5.1
169.01315	19.6
175.00253	2.7
175.03906	7.5
177.01842	82.6
178.02223	3.9
179.03377	3.5
185.05960	2.5
187.03967	6.6
194.34451	2.4
203.07060	6.1
204.06595	2.9
205.06903	3.9
215.03279	3.2
217.05000	4.3
219.02849	2.9
229.05136	4.0
243.02997	9.6
245.08205	10.4
255.02986	11.2
256.03714	5.4
261.04065	3.2
271.06119	14.1
285.04153	5.5
286.02090	5.5
287.02493	4.7
289.07156	50.3
290.07462	4.2
303.05093	10.4
339.09201	2.2
389.06665	9.0
407.02274	5.0
407.07687	100.0
408.08026	13.2
425.08719	3.8
441.08237	13.2
449.08865	5.1
467.09726	9.8
547.11298	2.9
559.08685	5.4
575.11816	3.7
577.09692	2.7
593.12915	9.3
594.13116	2.7
744.17902	3.1
745.13544	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	743.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.0
60.99178	14.9
61.98689	1.6
70.76584	0.6
71.50412	0.9
87.00748	2.0
88.00276	2.8
88.98675	100.0
89.02312	14.2
89.98993	1.4
125.02273	0.7
191.44351	0.6
211.13348	1.9
212.13647	1.1
256.07913	0.6
311.22229	1.1
312.23050	0.6
397.13568	1.4
449.48083	0.5
497.23209	0.6
510.23593	0.6
679.30035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	67.5
60.06936	45.8
71.28694	77.1
100.78806	38.8
120.80580	45.3
150.53958	45.4
150.94714	38.3
211.13483	62.6
214.18651	43.5
255.23105	82.5
259.41937	48.6
281.24747	100.0
317.37979	43.8
451.03885	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	11.0
69.03317	1.0
69.72449	5.4
72.73077	0.9
78.59250	0.9
83.01266	3.3
85.90096	0.9
95.04911	1.4
97.02818	1.0
105.03336	1.6
105.68763	0.9
109.02824	6.1
121.02853	1.8
123.00732	1.4
125.02336	100.0
126.02673	2.9
133.02858	2.5
137.02335	13.3
139.03896	4.0
149.02364	3.0
151.03908	6.6
158.33975	0.9
159.04434	1.6
161.02350	30.1
162.02802	1.6
163.00188	1.1
163.03854	1.3
164.01045	3.1
165.01811	5.5
167.03453	6.0
168.99979	1.5
169.01335	19.5
170.01602	1.4
173.05882	1.1
175.03906	10.1
177.01875	14.0
177.05434	3.8
178.02460	1.0
179.03378	3.7
183.04475	1.4
185.55190	1.0
187.03786	1.3
189.01787	1.6
193.01318	3.0
193.04964	1.2
199.03938	3.5
201.01845	2.1
201.05486	2.9
203.03448	1.8
205.01379	1.0
206.80450	0.9
215.03539	2.1
217.05000	6.0
219.02940	2.0
219.06554	3.7
221.04475	2.2
227.03525	3.8
229.01340	4.6
241.04897	1.4
243.02939	9.8
243.06627	1.6
244.03210	1.1
245.04576	4.8
255.02979	6.5
256.03763	1.2
257.04532	0.9
261.04047	3.1
269.04544	8.3
270.04816	0.9
273.04120	1.2
283.02521	4.7
285.04068	3.8
287.05658	16.9
297.03976	4.2
299.05423	2.3
305.06662	18.8
319.04871	1.6
349.37247	1.1
379.08362	1.3
387.04727	1.2
405.05951	4.3
407.07767	1.2
413.08627	1.3
423.07227	37.3
424.07605	5.8
425.08698	2.9
436.07962	1.0
441.07977	2.9
449.08606	3.1
457.07626	2.9
467.09741	6.0
468.10513	1.6
575.11536	3.9
593.13245	8.0
594.12848	1.4
619.10059	1.0
745.14630	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	742.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	2.9
61.98698	36.7
69.85606	1.7
71.01252	3.4
80.91560	2.8
84.67827	1.8
96.95889	4.8
101.02361	1.8
124.25467	1.7
125.02325	2.2
168.00555	1.8
169.01338	4.0
171.10175	2.6
179.61497	1.8
183.13782	2.2
195.10187	1.8
195.70010	2.0
197.11774	9.7
199.13338	2.6
207.10205	2.1
209.11691	4.4
211.13420	11.1
225.11247	5.5
227.03464	2.5
243.02980	12.1
254.01901	2.1
255.02954	29.0
271.02457	66.1
272.02905	5.2
299.01877	3.4
300.02725	100.0
301.03238	8.7
313.44464	1.9
325.20108	2.1
327.90802	1.8
466.66791	1.8
517.88165	1.8
558.56427	2.1
674.34589	2.4
679.16583	77.1
679.28229	4.0
680.16724	9.0
703.22314	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47995	0.6
58.00470	0.8
58.57799	0.7
59.01244	5.7
61.98700	1.6
69.98155	2.1
69.98574	1.1
71.01257	4.4
77.52700	0.6
80.02572	0.8
80.74278	0.7
83.04919	3.2
84.02032	1.2
85.02847	0.9
85.38818	0.6
86.15213	0.7
87.00745	0.7
89.02315	2.9
101.02328	3.7
113.02334	2.4
119.03390	1.1
125.09615	1.9
127.11186	2.1
161.04466	1.3
163.11206	2.4
165.09152	1.0
165.12759	1.2
171.10205	1.9
179.05525	1.0
184.23067	0.6
191.10612	0.8
199.09821	1.2
201.11259	41.7
202.11560	1.2
206.36644	0.7
209.11772	89.7
210.12065	6.0
211.13242	1.5
225.11197	1.1
227.12859	11.0
228.13332	1.0
235.08157	7.9
253.09256	15.6
254.09679	1.6
277.21722	100.0
278.22049	11.6
293.21133	0.9
295.22684	1.4
297.11459	1.4
419.19064	0.8
437.20166	1.4
443.31851	0.7
493.34833	0.8
513.30829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45308	0.3
71.29093	0.7
72.99187	3.1
75.00750	0.4
79.95598	4.0
80.96375	0.8
96.95888	1.8
116.04936	7.3
125.02329	1.3
128.04938	1.8
130.06494	2.6
132.04443	0.6
142.06526	22.3
143.06853	1.4
144.04425	0.8
146.32724	0.3
158.06024	16.7
159.06348	0.9
169.01347	1.0
172.03976	0.7
186.05522	6.9
187.05815	0.8
204.06596	33.6
205.06892	2.4
210.02252	5.9
222.02266	9.3
238.01767	1.2
243.02873	0.4
284.02341	100.0
285.02557	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	741.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06169	0.8
52.55682	0.8
57.03316	1.8
57.64461	0.8
59.01246	6.1
61.81874	0.9
61.98697	1.2
66.44023	0.9
71.01247	5.8
71.42323	1.3
72.14778	0.7
73.02822	1.4
80.02540	1.3
81.43005	0.7
83.04921	3.9
85.02820	1.9
87.00739	1.2
89.02319	3.6
89.08118	0.7
95.04913	1.2
101.02341	4.4
105.08631	0.7
113.02341	2.7
113.81085	0.9
119.36236	0.8
125.02336	1.0
125.09608	1.4
127.11184	2.7
149.05965	1.2
155.10681	1.4
161.04474	1.8
163.11221	3.1
165.09102	1.1
165.12726	1.9
167.07095	1.0
169.01271	1.0
171.10185	2.9
172.10565	1.1
179.05437	0.9
181.15109	1.1
191.10706	1.3
193.05022	2.8
201.11259	40.8
202.11627	2.9
209.11755	93.2
210.12074	7.5
211.13306	2.6
225.11226	1.2
227.12828	11.6
228.13036	0.9
235.08177	6.6
236.08585	0.9
253.09280	15.9
253.12227	2.5
277.21707	100.0
278.22079	12.5
294.21432	1.1
295.22644	1.0
297.11288	24.9
297.61411	6.7
298.11703	6.8
299.11905	0.9
437.20319	1.2
513.30646	1.0
741.43402	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	741.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59522	1.1
54.45951	0.9
57.03312	2.2
58.18712	1.0
59.01252	8.6
61.98696	6.7
62.81359	1.2
69.98311	5.3
71.01250	6.2
72.50967	0.9
73.02807	1.7
78.95760	1.2
83.01260	2.1
83.04898	1.3
85.02830	2.1
87.00746	3.7
89.02316	3.6
95.04926	1.2
96.95880	1.1
97.06458	5.4
98.95387	0.9
101.02360	4.9
111.08059	6.2
113.02321	2.9
151.11180	18.0
152.11481	1.2
161.04433	2.1
169.01343	1.9
169.12254	67.8
170.12601	4.3
185.11797	1.5
195.10240	2.7
197.11769	29.5
198.12085	2.0
202.09772	1.1
209.11778	5.8
210.12065	1.2
211.13377	8.4
212.13660	1.8
213.11320	10.6
213.13438	1.5
227.12866	2.9
235.08386	2.2
252.16792	1.1
253.09192	5.6
291.19727	5.9
292.12869	1.2
295.22702	3.3
309.20813	8.4
311.22266	2.2
341.46881	1.1
431.19626	2.3
449.20038	5.0
579.20007	1.1
643.33643	1.4
648.02148	1.0
652.36090	1.0
667.78656	1.0
741.40704	100.0
742.41162	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	741.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	7.1
70.02189	1.2
71.01247	2.1
72.50880	1.2
78.73652	1.3
80.96395	3.2
83.04884	2.7
88.98676	3.0
127.81854	1.4
149.25931	1.3
161.31178	1.3
209.11757	100.0
210.12144	7.4
227.12837	28.4
228.13094	2.2
235.08195	3.1
253.09270	5.4
271.02505	1.9
287.01810	1.6
316.02133	2.0
445.20801	8.7
637.32434	2.2
655.33087	1.8
723.11816	2.9
741.34436	28.2
742.35162	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	741.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.7
58.00473	0.9
59.01247	8.3
61.98710	6.0
69.03317	2.1
71.01245	7.0
73.02806	0.9
80.93763	0.8
80.94237	0.9
83.04906	1.8
85.02808	2.3
87.00728	1.3
89.02301	3.3
95.04909	1.6
97.06454	4.8
99.00763	3.2
101.02306	3.9
111.08035	4.5
113.02323	2.6
113.05972	1.4
115.42229	1.0
119.03327	1.0
125.02309	1.9
133.10046	1.4
136.21313	0.9
137.05977	1.4
140.34698	1.0
151.11183	18.1
161.04582	1.3
169.01254	1.0
169.12245	76.5
170.12576	4.2
171.10176	1.1
195.10130	2.1
197.11745	23.5
198.12057	1.1
199.13292	0.9
209.11772	4.1
211.13391	8.5
212.13698	2.3
213.11250	11.5
227.12909	1.4
235.08177	1.9
236.38902	1.0
253.09232	4.0
291.19666	3.2
292.19913	1.3
293.21085	2.0
309.20706	8.7
310.21078	1.5
311.21951	1.0
318.63269	0.9
327.21222	1.5
415.15369	3.0
431.19064	3.2
449.20392	5.5
579.19714	1.7
596.42169	1.1
655.67712	1.2
741.40631	100.0
742.40955	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70427	0.1
55.51937	0.1
59.01244	0.8
61.98701	100.0
62.98399	0.1
64.93355	0.1
66.58233	0.1
71.12421	0.1
81.03320	0.2
83.04898	0.8
84.05238	0.2
125.02369	0.2
132.84937	0.1
149.90114	0.1
169.01358	0.1
225.16077	0.4
226.16371	0.4
229.18575	0.1
311.99994	0.1
317.03003	0.2
354.32608	0.1
452.33844	0.1
463.08557	0.1
662.49780	0.2
677.49689	0.1
678.49567	0.6
679.50232	2.7
680.50531	6.3
681.51019	0.4
740.49335	1.5
741.50043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39124	1.5
59.01235	2.2
60.99181	3.7
61.98384	2.9
61.98701	39.3
69.41846	1.4
71.01261	1.9
71.49430	2.1
78.95782	1.8
79.40075	1.4
80.96390	5.7
82.95999	1.8
83.02377	2.8
88.98683	15.8
97.01472	1.5
107.01271	1.8
113.02416	1.7
118.03164	1.6
119.04906	1.8
124.01527	2.2
124.60813	1.5
125.02321	3.7
145.02878	3.6
151.00279	3.5
164.01105	2.0
165.78125	1.7
169.01340	3.7
178.99770	6.7
209.11739	9.0
211.13245	2.4
214.02634	6.8
225.00691	2.0
227.12743	3.4
242.02190	8.2
243.02965	4.6
253.09320	1.7
259.02490	6.6
270.01709	6.5
271.02463	38.7
287.02002	27.1
288.02466	5.9
315.01553	9.0
316.02228	100.0
317.02460	10.0
505.09821	11.8
506.10056	1.8
651.13605	91.4
652.13843	19.1
699.26465	1.8
740.32043	2.5
741.33356	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	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.2
57.85364	0.1
59.01244	1.1
61.98697	100.0
62.98403	0.2
68.35047	0.2
71.01254	1.1
71.41163	0.3
83.01277	0.2
83.04902	0.4
85.02839	0.2
87.00732	0.3
89.02322	0.6
101.02299	0.9
111.08022	0.8
113.02328	0.5
119.03397	0.3
125.02367	0.5
140.43390	0.2
145.04993	0.2
151.87279	0.2
161.04466	0.3
163.11234	0.3
165.99608	0.1
167.10796	0.2
169.01271	0.3
169.12323	0.2
171.10194	0.4
183.13835	2.2
184.14203	0.5
193.12291	0.4
197.11761	3.5
198.12097	1.0
199.13390	0.3
209.11760	4.6
210.12152	1.5
211.13336	18.2
212.13667	5.4
213.14041	0.3
227.12785	1.0
228.13196	0.4
235.08130	1.2
251.16470	0.2
253.09291	2.7
254.09639	0.6
263.20135	0.3
275.20258	0.4
276.20560	0.3
280.23596	0.5
291.19641	1.3
292.20041	0.8
293.21191	3.5
294.21521	1.7
309.20676	4.0
310.21033	2.4
311.22324	0.7
398.14215	0.2
399.14096	0.4
447.22375	0.5
448.22919	0.4
464.95279	0.2
739.42938	0.2
740.42773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13039	0.1
59.01247	0.7
61.98700	100.0
62.19104	0.1
62.98404	0.2
69.03305	0.1
69.81608	0.1
71.01252	0.7
73.02820	0.3
81.03358	0.1
83.01290	0.1
83.04881	0.1
85.02837	0.2
87.00760	0.2
87.61501	0.1
89.02306	0.5
101.02309	0.6
111.08041	0.6
112.08430	0.1
113.02333	0.3
114.85324	0.1
119.03396	0.2
125.02332	0.2
143.03481	0.1
145.05014	0.1
151.11299	0.1
161.04449	0.3
162.23953	0.1
167.10710	0.1
169.01326	0.2
169.12257	0.2
183.13826	1.1
184.14241	0.2
193.12373	0.1
197.11763	2.7
197.13564	0.2
198.12067	0.9
199.13368	0.3
209.11717	0.9
211.13333	11.1
212.13678	3.7
212.15622	0.2
213.14058	0.1
216.74197	0.1
227.12888	0.3
235.08290	0.6
249.14967	0.1
253.09238	1.5
254.09665	0.3
263.20212	0.2
279.23260	0.2
280.23816	0.2
281.23996	0.1
291.19659	0.9
292.20016	0.6
293.21201	0.3
294.21515	0.1
295.22852	0.4
297.11255	0.1
309.20728	2.8
310.20969	1.8
311.21695	0.1
397.13467	0.1
398.13995	0.2
399.14337	0.3
400.14377	0.2
416.15225	0.1
447.22540	0.3
448.22720	0.2
559.71912	0.1
669.59058	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	740.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.1
61.98704	100.0
62.98416	0.2
70.14188	0.8
71.01264	0.7
71.16543	0.2
73.56083	0.3
87.00753	0.2
89.02333	0.3
96.95910	0.8
101.02348	0.6
107.01307	0.2
107.79170	0.2
119.31782	0.2
125.02325	0.3
135.39299	0.2
151.00359	0.3
165.12897	0.2
169.01399	0.4
169.12265	0.2
171.10178	0.7
178.99817	0.2
183.13852	0.3
195.13869	0.4
197.11781	1.1
199.13324	0.5
209.11766	2.7
210.12247	0.3
211.13359	4.7
212.13747	0.5
223.13391	0.5
227.03621	0.2
227.12842	3.1
228.13470	0.4
235.08218	0.5
238.20821	0.2
243.03090	0.3
253.09320	1.7
255.02795	0.9
267.02878	0.3
271.02548	1.9
272.50833	0.2
275.20230	0.4
284.03525	0.3
285.71744	0.2
291.19742	0.7
292.20041	0.3
293.21252	4.1
294.21640	0.8
299.01981	0.8
300.02765	2.5
301.03378	0.3
309.20682	1.4
310.21112	0.4
313.03534	0.3
316.49539	0.2
334.09790	0.2
340.02380	0.4
345.07599	0.2
447.07349	0.4
459.34528	0.2
463.21899	0.2
469.16293	0.2
503.33795	0.4
531.11438	0.9
677.15131	3.8
678.15668	0.8
739.41968	0.9
740.43109	0.5
742.39777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.9
59.01244	6.5
60.58844	1.2
71.01262	7.7
71.49584	1.7
79.01772	5.4
89.02325	4.2
91.29817	1.3
97.02810	1.6
101.02316	3.4
102.95730	1.1
113.02349	3.1
125.02265	1.5
149.05989	6.7
150.03156	1.3
161.04456	1.9
163.11192	2.0
167.06982	4.0
171.04437	2.8
171.10190	12.2
172.10503	3.4
178.02553	1.3
183.13795	3.2
193.05008	9.0
197.11853	1.9
199.13391	2.4
201.11264	8.2
209.08162	2.6
209.11777	22.5
211.11449	1.4
211.13339	5.8
212.13757	2.2
225.11208	7.3
226.11603	1.3
227.12868	5.1
235.08189	3.3
253.09286	5.2
253.12302	7.8
275.11725	1.3
277.21713	31.5
278.22067	9.2
281.24747	2.9
282.25226	2.2
293.21106	3.1
294.21683	1.7
297.11316	100.0
297.61481	12.8
298.11664	12.9
299.12030	1.6
397.13312	6.3
398.13666	2.9
403.76291	1.2
415.14252	2.4
452.15955	1.2
740.43243	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	740.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	42.4
65.00232	0.6
69.14612	2.9
69.15027	2.0
84.58876	0.4
107.01274	0.8
108.02058	1.1
111.21581	0.5
117.03339	0.9
131.15318	0.5
145.02861	1.9
148.01558	1.0
150.90694	0.5
151.00261	2.3
163.00301	0.5
178.99750	1.4
199.03978	0.8
215.03380	0.6
226.02731	1.0
227.03468	2.9
243.02959	7.9
244.03448	1.3
254.02167	1.7
255.02951	23.8
256.03265	2.1
271.02472	49.3
272.02948	4.9
299.01779	3.5
300.02734	100.0
301.03113	10.0
312.64325	0.6
365.52045	0.5
455.51477	0.5
489.11530	0.5
531.11420	40.5
532.11780	5.4
677.15051	46.2
678.15472	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	740.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75177	0.2
59.01239	0.7
61.98698	100.0
78.95789	0.2
79.95615	0.4
80.96369	0.3
96.95885	3.3
96.96853	0.5
110.03545	0.2
151.00267	0.6
169.01382	0.4
169.39235	0.2
178.99907	0.3
197.11775	0.3
202.30453	0.2
209.11819	0.6
211.13321	1.5
212.13696	0.3
212.36505	0.2
227.03441	0.2
231.62704	0.2
239.03416	0.2
243.03033	0.5
253.09261	0.3
255.02902	1.5
271.02481	3.1
272.03195	0.2
284.03333	0.2
291.19550	0.5
293.21106	0.2
299.01984	1.2
300.02734	4.9
301.03363	0.4
309.20773	0.4
312.02859	0.3
340.02130	0.3
341.03027	0.6
345.07965	0.2
370.73193	0.2
373.07150	0.4
447.07327	0.7
531.11292	1.8
532.11554	0.2
677.14984	4.8
678.15753	0.7
739.34406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20744	0.3
53.26641	0.3
57.03305	0.5
59.01249	5.7
61.98705	2.2
63.55581	0.3
67.75903	0.3
69.03323	0.5
71.01253	4.1
71.04912	0.3
71.12813	0.7
73.02818	0.8
80.02548	1.3
81.03323	0.9
83.01280	0.5
83.04890	4.8
84.02050	0.8
85.02830	1.1
87.00752	1.1
89.02306	3.2
95.04876	0.7
96.95893	4.0
97.06493	0.3
101.02328	3.4
111.04388	0.3
111.08028	1.2
113.02334	1.9
119.03387	0.9
125.02333	0.6
125.05952	0.5
129.31328	0.3
135.08055	0.9
143.03494	0.4
143.64995	0.3
145.04927	0.5
161.04407	1.6
163.11189	3.8
165.08707	0.3
165.12744	2.2
167.07082	0.6
169.01366	0.4
169.12306	0.5
171.10172	2.8
179.05504	0.6
179.14320	0.8
181.12241	0.8
183.13782	2.0
185.11743	0.4
187.83052	0.3
191.10747	1.2
195.13841	6.5
196.14519	0.6
197.11766	2.8
199.13280	0.9
205.12251	1.0
208.00217	0.3
209.11760	100.0
210.12115	6.5
211.13319	23.5
212.13673	1.0
223.13326	5.5
224.13699	0.5
227.12830	12.2
228.13367	1.2
231.20981	0.5
235.08185	2.8
235.16991	2.2
251.16631	1.0
253.09261	19.7
254.09581	0.8
256.13135	1.0
275.20157	10.0
276.20395	0.6
291.19656	4.4
292.19867	0.5
293.21207	83.3
294.21509	7.5
297.00980	0.3
297.11313	0.7
309.20663	4.7
445.20605	0.7
447.22369	1.3
485.32809	0.4
503.34280	0.4
527.28577	0.5
529.30121	0.6
588.51404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37350	0.2
55.01759	0.4
57.03307	0.4
59.01247	5.1
61.98694	0.4
69.03317	0.7
71.01248	3.8
71.20266	0.5
73.02823	0.9
83.04884	1.0
85.02817	1.0
87.00742	0.6
89.02316	2.3
92.23896	0.3
95.01257	0.3
97.06421	0.3
101.02334	3.3
109.06429	0.5
111.08039	5.5
113.02342	1.6
114.15968	0.3
119.03370	0.8
125.02306	0.4
137.09671	0.4
143.03386	0.4
145.04918	0.5
153.09157	0.3
153.12714	0.5
161.04475	1.8
163.11343	0.3
165.12698	0.8
167.06996	1.2
167.10739	0.4
167.14331	0.9
169.01396	0.3
169.12267	2.6
179.05473	0.5
179.10800	0.3
181.12280	0.5
183.13834	9.2
184.14110	0.5
193.12285	1.4
197.11758	29.8
198.12070	1.4
199.13315	2.1
209.11769	6.2
209.15216	0.3
210.12090	0.4
211.13333	100.0
212.13701	6.1
227.12840	1.8
228.13211	0.4
235.08235	4.9
235.17084	0.8
253.09267	12.5
254.09660	0.5
263.20218	1.4
265.17996	0.4
273.18582	0.8
275.20206	0.9
291.19678	10.9
292.19907	1.1
293.21246	4.7
297.11353	0.7
309.20703	33.8
310.21088	2.7
433.21085	0.4
447.22366	4.6
448.22440	0.4
503.33957	0.4
527.28772	0.5
545.29413	0.9
565.22241	0.4
739.42767	2.9
740.43854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92080	0.6
57.03323	1.6
59.01240	7.8
61.98696	2.9
62.55368	0.7
67.49937	0.7
69.03326	0.9
70.52040	2.4
71.01250	7.2
71.59663	0.7
73.02819	2.2
83.01255	1.1
83.04901	1.5
85.02815	2.1
87.00749	1.8
87.30482	0.6
89.02312	4.8
97.06483	1.7
101.02306	7.1
111.08009	3.3
113.02338	3.3
113.09602	2.2
119.03373	1.4
143.03383	0.8
145.04958	0.9
146.09912	0.7
161.04451	2.1
163.11185	1.6
165.12747	8.7
169.12257	1.4
179.05510	0.9
179.14381	0.8
183.13823	100.0
184.14177	6.0
195.13849	8.1
196.14526	1.2
197.11745	9.0
205.12213	0.6
207.10274	0.6
209.11768	20.7
210.12099	1.9
211.13332	33.3
212.13702	1.5
223.13388	6.4
227.12843	7.1
228.13591	0.8
235.08234	5.1
239.05597	0.7
253.09258	13.4
263.19980	1.0
270.95837	0.7
273.42053	0.7
275.20169	5.4
291.19675	3.1
293.21210	60.3
294.21509	3.7
309.20630	10.5
310.21033	0.8
358.80005	0.8
363.56601	0.8
445.20709	1.8
447.22272	1.2
463.22000	3.4
628.93298	0.8
683.99500	0.7
721.42004	1.1
739.42706	87.1
740.42987	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	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47884	0.3
55.01777	0.3
57.03316	0.4
58.00470	0.6
59.01245	4.2
61.98702	4.3
64.49751	0.2
69.03323	0.8
70.41683	0.8
71.01254	3.8
71.92284	0.2
72.99183	0.2
73.02821	0.9
73.26775	0.2
76.48955	0.2
83.01256	0.5
83.04888	0.5
85.02800	1.0
87.00762	0.6
89.02313	2.7
95.01278	0.3
97.06471	0.4
101.02319	2.9
109.06483	0.3
111.08034	5.8
111.08808	0.3
113.02338	2.1
119.03395	0.6
125.02290	0.6
127.07538	0.5
131.03349	0.3
143.03391	0.7
145.05002	0.4
151.11148	0.4
153.12752	0.7
155.10678	0.4
161.04448	1.6
165.12769	0.5
167.07097	0.4
167.10611	0.4
167.14337	0.5
169.01332	0.4
169.12285	3.2
177.12772	0.2
179.05678	0.6
179.10760	0.3
181.12271	0.8
183.13823	7.6
185.11731	0.5
193.12233	1.8
195.13846	0.6
197.11752	34.1
198.12131	1.6
199.13312	3.2
202.36877	0.2
209.11758	3.4
209.15442	0.7
210.12109	0.3
211.13329	100.0
212.13649	5.8
223.13295	0.4
223.16905	0.3
227.12859	4.2
228.13232	0.5
231.13991	0.3
233.15535	0.4
235.08171	3.4
236.08519	0.3
247.20563	0.3
249.14893	1.8
251.16519	0.7
253.09267	13.1
254.09692	0.6
263.20166	1.9
265.18106	1.0
273.18631	0.8
275.20160	0.4
291.19653	13.9
292.20010	1.5
293.21216	4.6
294.21591	0.4
297.11411	0.5
309.20697	38.2
310.21088	3.8
360.36603	0.2
433.20627	0.6
440.30432	0.3
447.22372	3.5
448.22699	0.6
463.21991	0.7
485.24146	0.3
503.33801	0.7
527.28052	0.5
528.28400	0.4
541.95685	0.2
545.29669	1.3
739.42908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.6
57.03309	3.0
59.01246	16.6
61.46248	1.3
61.98692	2.7
69.03329	1.5
71.01253	32.7
71.04884	4.4
72.99174	1.9
73.02805	4.9
83.01238	2.6
83.04886	3.1
85.02812	4.3
87.00736	4.9
89.02319	8.8
95.01269	2.2
95.04868	2.9
97.02824	5.3
97.06452	3.8
99.00168	1.7
99.00759	17.5
101.02314	12.8
107.60468	1.0
109.06477	2.8
111.00777	1.3
111.08044	2.7
113.02316	6.9
119.03365	1.6
123.08023	2.9
125.02317	2.5
125.09612	7.7
141.23328	1.1
142.02567	1.4
143.03380	2.1
153.12761	2.0
161.04420	4.9
161.09618	1.3
163.11189	14.7
165.12697	1.6
167.10663	1.6
169.01308	1.3
169.12288	2.6
171.10179	55.1
172.10522	1.8
179.05518	2.4
179.10667	2.8
181.12257	19.9
183.13831	5.1
185.11722	4.5
187.41423	1.2
193.12288	1.8
195.13795	4.3
197.11734	3.6
199.13336	26.3
200.13605	1.9
201.11253	8.5
207.10201	29.5
208.10602	1.3
209.11754	11.8
210.12093	1.9
211.13333	50.1
212.13756	5.2
213.13876	1.5
215.12791	1.9
223.13457	1.5
225.11269	56.0
226.11565	2.9
227.12825	29.6
228.13155	2.3
235.08182	8.7
235.17029	1.8
243.12340	11.9
251.16454	1.3
253.09256	25.5
254.09563	1.3
271.64426	1.2
275.20142	5.9
277.21707	100.0
278.22083	11.2
281.24796	9.5
291.19641	25.4
292.19934	2.0
293.21213	37.6
294.21497	3.0
297.11349	4.8
307.19086	1.3
308.19412	1.6
309.20697	4.6
397.13580	12.5
415.14502	3.5
443.19473	1.6
447.22119	1.7
461.20465	7.9
463.22003	5.5
479.21664	2.6
721.41589	2.3
739.42682	84.1
740.42987	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.0
58.00463	1.5
59.01250	9.7
61.69133	0.9
61.98688	1.4
63.31734	0.8
69.03315	1.5
71.01257	11.8
71.04886	2.8
72.99181	1.1
73.02821	3.3
75.00712	1.4
77.92207	0.9
79.06570	0.8
83.01216	1.1
83.04904	1.2
85.02827	2.6
87.00735	2.5
89.02330	5.7
95.04893	1.5
97.02827	3.7
98.20580	2.9
99.00754	7.8
101.02310	8.2
109.06477	3.7
111.08058	0.9
113.02314	4.4
121.06490	0.8
125.02271	1.4
125.09586	5.1
127.11140	2.5
128.24042	1.1
140.41541	0.8
151.11188	2.0
153.12807	0.9
161.04419	3.1
163.11217	7.8
167.07069	1.5
169.12234	1.6
171.10179	60.2
172.10518	2.9
179.05411	1.1
181.12248	11.8
183.13855	1.7
185.11769	2.9
195.13817	2.3
197.11746	4.3
199.13330	29.5
200.13736	1.1
201.11267	4.9
207.10216	30.4
208.10550	1.8
209.11746	7.1
210.12099	1.1
211.11497	1.5
211.13358	19.4
212.13622	1.8
225.11282	68.6
226.11598	3.3
227.12875	13.7
235.08226	7.3
243.12361	9.0
250.35147	0.9
253.09258	13.2
275.20190	1.9
277.21716	100.0
278.22070	9.0
291.19696	4.9
293.21179	10.7
297.11316	7.4
309.20654	1.5
339.83453	0.9
407.19244	1.0
443.19180	3.0
445.21051	1.1
461.20264	10.8
462.20526	1.1
463.21997	2.8
479.21246	1.4
485.32324	1.0
721.41229	7.2
722.40900	1.1
735.84039	1.1
739.42719	75.1
740.43134	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.1
58.00437	0.9
59.00998	1.0
59.01244	11.1
61.98689	1.2
69.03323	1.4
69.35844	7.6
71.01250	11.3
71.04881	2.6
72.99154	1.0
73.02804	1.9
76.66763	0.9
81.03326	1.0
83.04866	1.4
85.02814	3.5
87.00735	2.5
88.08659	0.7
88.46003	0.8
89.02314	3.6
95.01225	1.1
95.04886	1.5
97.02807	5.1
97.06461	2.8
98.19772	1.4
99.00746	8.8
101.02321	7.0
109.06462	3.2
111.08013	1.6
113.02309	4.0
121.97033	0.8
121.97940	0.8
123.07994	1.2
125.09586	5.6
127.11214	1.0
135.08009	0.8
142.02617	1.2
145.04929	1.3
161.04448	2.1
161.09647	1.1
163.11172	7.9
167.07018	1.3
167.10626	1.2
169.12254	1.2
171.10172	32.1
171.13779	0.8
172.10535	1.0
179.10654	1.4
181.12254	12.0
183.13814	2.2
185.11684	1.7
189.09135	0.8
195.13863	2.7
197.11736	2.4
199.13310	17.3
200.13655	1.4
201.11217	5.8
206.90163	0.9
207.10168	25.3
209.11784	4.7
211.13327	13.7
212.13599	1.6
223.13280	1.0
223.52757	0.9
225.11259	53.1
226.11514	2.8
227.12820	9.9
228.13271	0.9
235.08229	5.0
236.46819	0.9
243.12389	7.0
253.09259	14.4
275.20142	2.7
277.21707	100.0
278.22067	9.0
279.23099	1.0
291.19601	10.2
293.21207	18.5
294.21432	2.1
297.11426	1.4
319.36801	0.9
345.62463	1.0
443.19162	2.3
461.20236	7.0
462.20486	1.0
479.21130	1.2
497.30209	1.0
556.81921	0.9
721.41278	6.8
722.42877	1.5
739.42645	94.6
740.43042	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13056	0.6
57.03302	1.1
59.01242	7.2
61.98709	0.7
69.03315	0.9
70.12132	0.6
70.69717	2.1
71.01253	8.7
73.02822	1.0
83.01280	1.1
83.04892	0.9
85.02829	2.2
85.84960	0.8
87.00719	1.6
89.02315	4.3
95.01267	1.6
95.04893	1.2
97.02813	2.2
97.06509	0.7
101.02315	4.6
109.06465	3.0
111.08031	1.1
113.02332	2.4
122.21079	0.7
125.02326	1.8
125.09605	2.5
127.11187	2.2
137.06573	0.6
137.09561	0.7
137.96031	0.6
143.03375	1.3
161.04446	2.5
161.09592	1.2
163.11195	4.1
169.01315	1.2
169.12283	1.1
171.10175	100.0
172.10458	3.8
179.05446	1.3
179.10614	1.1
181.12283	1.9
182.63129	0.6
183.13789	2.2
185.11754	2.3
189.09145	1.6
197.11749	4.4
199.13315	3.3
201.11247	6.1
207.10201	12.3
208.10410	0.9
209.11815	4.8
211.13344	25.8
212.13678	5.3
213.13921	2.1
225.11261	44.7
226.11662	1.7
227.12839	3.6
235.08232	3.7
243.12335	1.9
253.09247	13.1
275.20044	1.1
277.21698	71.4
278.22055	6.9
289.18164	2.1
290.18427	2.2
291.19540	4.5
293.21234	7.9
297.11288	2.0
307.19144	2.2
308.19379	2.1
309.20453	4.3
397.13705	0.7
407.19217	3.5
417.08640	0.8
443.19305	2.5
461.20300	8.8
479.20938	0.8
497.43765	0.9
721.42090	3.5
739.42383	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	739.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.2
57.03323	6.1
58.00470	0.5
59.01252	4.2
59.71535	0.4
61.98697	11.3
69.37142	1.4
69.37578	2.1
71.01247	3.6
71.04887	0.8
72.99173	0.5
73.02811	0.6
77.34196	0.4
79.01755	7.0
80.02536	0.9
81.03313	1.0
83.01220	0.5
83.04888	2.9
85.02822	0.7
87.00758	3.2
87.04388	0.5
89.02293	2.1
95.04901	0.5
97.02832	1.4
98.19786	0.8
99.00759	0.7
99.08031	16.7
100.08372	0.5
101.02342	3.0
108.92430	0.4
109.06456	0.7
111.08041	2.0
113.02322	1.4
115.00252	2.5
119.03372	0.7
121.06473	0.7
122.03608	4.1
123.08083	0.8
125.02254	0.5
125.05972	1.2
135.02914	0.5
137.05980	10.8
143.03337	0.4
147.04459	0.5
149.05968	8.1
150.03136	0.7
152.04668	4.2
159.08000	0.8
161.04445	1.4
161.05907	0.4
163.03908	0.4
163.11177	2.3
164.04688	0.5
165.09055	0.6
165.12755	1.7
167.07045	100.0
168.07370	3.1
169.12216	0.7
171.04387	2.3
171.10168	2.4
173.09625	0.5
175.02367	3.0
179.07025	4.9
181.12245	0.6
183.08105	1.2
183.13843	2.4
185.11794	0.5
191.03415	0.4
191.10675	0.6
193.04979	11.3
193.12297	1.0
194.05365	0.7
195.13838	4.1
197.09964	0.8
197.11732	7.0
199.13313	1.0
200.08337	0.6
209.08330	1.7
209.11761	62.6
210.12105	3.6
211.11430	1.6
211.13327	39.7
223.13345	2.2
227.12831	8.0
228.13220	0.9
233.09549	0.5
235.08212	4.2
235.10677	0.5
235.11038	0.4
238.09860	0.5
239.10701	0.7
251.16559	0.8
253.09267	12.0
253.12306	10.5
254.12677	0.7
255.10301	0.9
256.13068	0.6
263.20297	0.6
265.08679	4.9
267.10251	5.8
275.20102	4.8
280.11078	0.7
291.19675	9.1
292.20096	1.9
293.21207	43.7
294.21637	0.9
295.10043	0.6
297.11295	62.0
298.11636	4.2
307.09744	1.7
309.20694	11.5
340.14395	0.5
353.15521	0.7
355.13168	0.7
355.17044	0.7
369.15082	0.6
371.16547	3.3
372.48425	0.4
375.72983	0.4
385.14371	1.3
397.14474	2.4
398.14560	0.6
399.15851	0.8
404.85623	0.5
425.14185	0.6
445.20865	0.5
447.22382	2.4
457.94849	0.5
563.20728	4.4
564.21143	0.8
565.22290	59.3
566.14288	0.8
566.22650	10.7
647.57416	0.5
739.43176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
57.03325	4.3
59.01248	4.1
59.01494	0.6
59.08957	0.5
61.98701	68.3
62.98363	0.6
63.99143	0.8
71.01254	4.6
72.28220	0.5
72.99179	0.7
73.02824	0.8
74.22347	0.6
78.95790	0.7
79.01757	6.2
83.01250	0.8
83.04890	3.2
85.02821	0.9
87.00764	1.9
89.02329	1.4
96.95890	18.3
96.96584	0.9
96.96807	1.2
97.02814	1.5
98.19778	1.9
99.00742	0.9
99.08030	14.3
100.08362	0.8
101.02323	3.2
109.02872	0.7
111.08058	1.0
113.02348	1.1
115.00254	2.0
115.05376	0.8
119.03381	0.9
122.03641	3.5
123.08036	0.8
125.05975	0.8
137.05980	9.5
149.05992	7.2
152.04677	2.9
161.06000	0.7
163.11212	2.5
164.04637	0.9
165.09163	0.8
165.12767	1.1
167.07051	100.0
168.07384	3.3
169.12257	1.0
171.04422	1.4
171.10184	1.5
173.09682	0.9
175.02373	2.3
178.02669	0.7
179.05603	0.9
179.07057	4.6
182.19189	0.6
183.08127	0.8
183.13811	1.9
185.11711	1.0
193.04980	12.2
197.11719	3.5
199.13351	2.6
209.08401	1.5
209.11760	52.3
210.12097	1.1
211.11363	1.5
211.13327	27.9
212.13698	0.8
225.11186	0.7
227.12865	12.9
229.57574	0.9
231.21182	0.7
235.08214	2.2
235.16982	10.2
237.09163	1.0
239.10728	0.7
253.09283	8.9
253.12321	9.3
254.12537	1.1
255.10316	1.2
264.20242	0.6
265.08667	5.3
267.10220	6.2
275.20142	18.4
280.11121	0.9
291.19580	6.4
293.21219	29.9
297.11310	65.2
298.11609	4.8
307.09808	1.6
309.20676	7.1
353.15399	1.2
369.04269	3.0
371.16513	2.8
385.14523	0.8
397.14471	3.2
399.15543	1.2
425.14206	1.0
441.02896	2.8
447.22479	1.0
463.22284	0.9
563.20746	4.1
565.22296	68.9
566.22614	11.6
739.43213	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	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.2
61.98700	100.0
62.98416	0.2
63.99126	0.2
70.98776	0.3
71.01259	0.2
79.52409	0.1
209.11803	1.0
211.13332	0.4
277.21860	0.2
278.22119	0.3
293.21356	0.2
398.13596	0.2
399.14032	0.3
451.79407	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.6
61.98702	100.0
62.98402	0.2
71.01266	0.5
71.04922	0.1
71.20372	0.3
73.79622	0.1
81.03339	0.1
83.01254	0.1
83.04892	0.3
84.02054	0.1
85.02826	0.1
89.02326	0.4
96.95866	0.2
101.02318	0.4
113.02340	0.2
161.04469	0.2
163.11230	0.4
165.12744	0.1
171.10257	0.2
183.36610	0.1
195.13901	0.3
197.11812	0.4
209.11781	8.8
210.12167	0.4
211.13342	2.4
211.15193	0.2
223.13344	0.2
227.12862	1.2
235.08315	0.4
235.17055	0.2
253.09239	1.4
253.11526	0.1
275.20215	0.5
277.21686	0.2
278.22162	0.2
284.13156	0.1
289.18234	0.1
291.19626	0.8
292.16953	0.1
292.20096	0.4
293.21222	4.0
309.20773	0.4
383.53253	0.1
398.14014	0.1
399.13907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09854	0.2
57.83655	0.2
58.02826	0.2
59.01247	16.4
60.01604	0.2
71.29420	0.4
77.91454	0.2
81.02850	0.2
81.03325	4.8
83.04894	14.8
84.05229	0.3
94.96267	0.2
100.07562	0.2
104.83757	0.2
107.06020	0.2
108.04427	0.4
125.07076	0.8
137.47267	0.2
143.08156	0.6
196.53879	0.2
207.14954	1.2
222.15933	0.3
224.17674	2.0
225.16035	13.5
226.16476	0.9
242.18703	0.8
268.16656	0.3
309.21768	0.8
324.26566	0.7
333.22922	0.7
341.29099	0.7
351.24246	0.4
367.27011	1.3
368.27328	0.2
385.28204	0.3
433.31821	1.3
450.34628	1.2
451.32864	7.5
452.33459	1.3
468.35364	0.3
476.32452	0.3
550.43121	1.2
551.43573	0.3
559.39636	0.4
565.44275	0.2
593.43726	0.5
659.48328	1.5
660.48834	0.8
677.49652	100.0
678.49963	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.5
57.03313	1.2
59.01243	6.1
61.98676	1.6
69.03309	4.3
70.06013	1.4
71.01250	5.7
71.04889	1.0
73.02809	1.3
75.78770	0.4
80.96378	2.1
83.01242	1.1
83.04881	1.0
85.02814	2.1
87.00751	1.7
89.02319	2.8
94.97955	0.5
97.02829	0.8
97.06460	0.9
99.00732	0.9
101.02318	4.6
105.31372	0.4
106.46965	0.5
109.06422	0.5
111.04342	0.6
113.02312	1.7
119.03326	0.4
123.08033	1.3
125.02284	0.7
125.09648	2.4
125.37537	0.5
128.84091	0.4
143.03383	0.6
145.96536	0.5
149.09644	0.5
149.32001	0.5
151.11159	2.8
153.12762	0.7
161.04411	1.1
161.09587	3.3
163.11194	0.5
169.12241	4.6
179.10681	7.6
183.13809	0.6
197.11749	45.5
198.12112	2.6
205.08551	0.7
207.10254	0.6
209.11819	1.4
211.13316	2.9
223.09737	1.5
225.00732	0.8
227.12885	0.8
235.08142	1.7
241.10825	2.2
253.09303	2.7
265.31024	0.5
277.21701	54.7
278.22046	4.8
293.21347	0.6
307.19324	0.5
333.14389	0.5
459.18622	0.9
477.19897	1.7
737.41101	100.0
738.41418	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
55.09892	0.6
57.03317	1.4
57.45109	0.6
58.00456	0.9
59.01251	7.1
61.98705	3.9
64.17480	0.7
64.89800	0.6
69.03332	3.4
69.39996	5.7
70.77751	0.6
71.01249	5.8
71.04884	2.2
73.02798	1.1
80.96387	2.1
83.01265	1.1
85.02810	1.6
85.61990	0.7
87.00756	0.9
87.45719	0.7
89.02310	3.1
95.01236	0.7
97.06470	1.3
97.46906	0.7
101.02328	4.2
102.53480	0.6
103.66795	0.8
111.60767	0.7
113.02322	2.3
119.03357	1.0
121.02854	1.3
123.07982	0.8
125.02323	1.1
125.09613	2.6
125.95667	0.8
130.92876	0.9
141.09691	0.7
151.11192	2.3
153.12752	2.4
161.04433	1.0
161.09627	3.7
169.12308	1.1
171.10217	1.0
179.10732	6.1
183.13860	3.7
187.07431	1.0
195.10191	1.3
197.11763	82.2
198.12103	5.4
205.08647	2.2
207.10207	1.4
209.11751	0.9
211.13350	3.1
223.09697	2.7
227.12880	1.6
235.08183	1.0
241.10818	5.9
253.09276	5.0
255.23804	0.8
277.21735	34.5
278.21960	3.4
291.19373	0.9
293.21313	1.1
404.11691	0.7
459.18732	1.0
477.19620	3.6
719.40277	1.6
737.41119	100.0
738.41455	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92987	0.3
54.41185	0.3
57.03317	1.3
59.01244	5.5
61.98700	2.6
69.03320	0.5
71.01241	4.6
71.04883	1.8
71.29977	0.6
72.99186	0.4
73.02811	0.8
80.02536	0.9
81.03326	1.6
83.01276	0.7
83.04886	4.3
84.02047	0.6
85.02824	0.7
86.55520	0.3
87.00748	0.7
89.02318	2.6
95.04916	1.2
96.84691	0.3
97.02840	0.6
97.06461	1.2
101.02302	3.6
109.06473	1.1
111.08032	5.5
113.02293	1.5
113.05972	0.3
119.03394	0.8
119.04894	0.4
121.06488	0.4
125.02322	0.7
125.05949	0.6
135.08069	0.8
136.28239	0.4
137.09613	0.6
139.11208	0.3
143.03461	0.4
145.04921	0.5
151.11168	0.6
161.04451	1.3
161.09637	0.4
163.11211	4.4
165.12720	2.5
167.10672	0.9
169.01369	0.3
169.12213	0.4
171.10129	1.9
177.12778	1.3
179.10721	1.1
181.12224	1.3
183.13785	1.9
191.10675	1.0
195.13823	4.1
197.11766	0.3
203.14409	0.5
207.10237	3.0
209.11758	100.0
210.12122	6.2
211.13347	5.2
223.13362	0.4
225.11314	1.9
227.12828	15.1
228.13210	1.3
235.08194	3.4
243.12141	0.4
247.20622	2.0
249.14941	1.0
251.16388	0.6
253.09251	11.1
273.18619	1.5
275.20215	0.6
289.18130	0.8
291.19641	89.5
292.19974	9.5
293.21231	2.8
307.19144	1.2
309.20715	0.6
329.21103	1.5
443.19180	0.4
445.20718	1.1
483.31210	0.6
501.32541	0.3
509.27429	0.7
527.28552	4.9
528.28223	0.7
553.63416	0.4
719.40302	1.1
737.41205	2.7
738.42053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.4
59.01249	5.7
61.98693	1.4
66.66127	0.3
69.03319	1.2
69.61280	1.7
71.01254	5.5
73.02821	0.7
75.00742	0.4
81.03319	0.9
83.01250	1.4
83.04892	0.8
85.02838	1.7
87.00742	1.0
89.02305	2.6
91.90327	0.4
95.01270	0.4
95.04903	0.5
97.02837	0.6
97.06467	1.6
98.26315	0.3
101.02315	4.9
106.04171	0.3
109.06431	0.6
111.08010	0.4
113.02323	3.0
119.03393	0.5
121.06454	0.5
123.04385	1.2
123.08042	0.6
125.02321	3.2
125.09624	2.2
135.08052	0.6
137.09636	1.6
141.12721	0.5
145.04951	0.8
146.70203	0.3
149.05977	0.4
151.11148	0.4
155.10667	0.3
161.04416	1.8
161.09686	0.4
163.07562	0.4
163.11189	2.7
165.12727	1.0
166.21758	0.3
167.10666	0.6
167.14265	0.7
168.11124	0.3
169.01347	2.1
171.10168	0.6
179.05530	0.8
179.10664	0.5
181.12241	0.8
183.13831	7.7
185.11754	3.0
187.07849	0.3
191.14354	2.7
193.12247	2.3
205.08594	1.6
205.12465	0.3
207.10236	1.5
207.13834	0.5
209.11766	8.3
210.12161	0.8
211.13333	100.0
212.13701	6.0
215.14558	0.4
217.15930	0.5
223.09659	1.2
225.11212	1.4
227.12849	0.9
227.18030	0.5
233.15417	1.6
235.08186	3.6
237.11328	1.0
241.10802	1.1
245.19078	5.4
253.09253	10.3
254.09563	0.9
258.11093	0.4
263.20114	1.8
271.17096	0.8
277.21722	4.6
289.18097	24.0
290.18384	2.4
291.19623	1.6
293.21341	0.4
307.19131	22.2
308.19543	2.7
321.06934	0.4
385.23959	1.1
403.24490	0.5
445.20871	0.8
447.22430	2.1
483.31158	1.3
501.32190	2.0
519.33398	0.7
543.28064	0.7
621.32776	3.8
622.33209	1.0
639.33490	0.4
701.39355	0.6
702.39667	0.5
719.40314	1.9
737.41162	4.8
738.42041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66748	0.7
54.18194	0.7
55.01728	0.9
57.03304	3.6
59.01249	13.6
60.52640	0.7
61.98690	2.3
69.03314	1.3
71.01251	10.3
72.99183	1.1
73.02802	2.3
83.01241	1.5
83.04902	2.4
85.02807	3.4
87.00743	2.2
89.02315	5.3
91.79020	0.8
95.01247	1.1
95.04894	2.1
97.06447	3.0
99.00795	1.0
101.02328	8.8
109.06451	1.7
110.06736	0.8
110.12022	0.7
111.08041	14.0
112.08421	0.9
113.02300	3.7
113.09591	1.0
119.03348	1.7
122.41669	0.9
123.08028	1.4
125.02338	1.5
125.09612	1.7
137.09613	1.2
145.04955	1.5
147.39636	0.9
149.09518	1.2
151.11147	1.1
156.16884	0.9
161.04442	3.6
163.11180	2.2
165.12755	12.2
167.10635	4.1
177.12772	3.2
179.10646	3.3
181.12250	1.4
183.13828	100.0
184.14218	6.2
185.11798	1.0
191.14288	1.0
193.12285	0.9
195.13841	8.2
197.11661	0.9
203.14406	1.0
207.10124	2.2
209.11757	15.5
211.13330	54.9
212.13707	3.4
223.07008	0.8
225.11313	1.7
227.12810	8.3
235.08211	5.4
244.60753	0.9
245.19077	2.1
247.20564	3.0
253.09296	11.9
260.74573	0.9
263.20157	2.0
273.18646	1.8
289.18036	9.6
290.18338	1.0
291.19666	88.5
292.19995	9.0
293.21326	1.4
307.19141	16.7
308.19562	2.0
445.20554	4.6
447.21918	1.7
463.21927	5.4
483.30887	1.0
501.32254	1.2
527.28546	4.4
621.33118	1.5
719.39532	0.9
737.41132	96.7
738.41510	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01247	6.7
61.98702	10.5
69.03334	0.3
69.78008	1.7
71.01254	5.3
71.04893	2.0
72.99150	0.5
73.02814	1.0
80.01344	0.3
80.02541	1.3
81.03323	1.4
83.01252	0.5
83.04891	5.4
84.02026	0.7
85.02801	1.1
87.00750	1.2
89.02324	2.8
93.03320	0.4
95.04894	1.3
97.02831	0.7
97.06468	0.8
101.02319	4.0
109.06463	2.3
111.07302	0.5
111.08038	8.5
113.02334	2.4
113.09590	0.5
119.03390	1.2
125.02324	0.5
125.05962	0.3
125.09541	0.7
127.67418	0.3
135.08044	0.9
135.11736	0.3
137.09608	0.9
145.04929	0.6
147.11705	0.4
149.09622	0.6
161.04453	1.2
163.11205	4.5
165.12761	2.2
167.10690	1.8
169.12283	0.3
171.10208	1.9
177.12805	2.2
179.05528	0.6
179.10698	2.0
181.12218	0.9
183.13789	0.5
185.11766	0.3
191.10658	0.9
195.13849	5.7
196.14113	0.5
197.11803	0.5
199.13397	0.6
203.14360	0.5
207.10176	4.4
209.11760	97.5
210.12077	5.0
210.13979	0.4
211.13319	5.3
212.13597	0.4
223.13179	0.4
225.11269	2.2
227.12830	15.1
228.13199	0.7
235.08127	3.7
235.17114	0.4
247.20648	2.3
248.21074	0.4
249.14970	1.1
251.16553	1.0
253.09245	11.7
254.09630	0.4
255.23218	0.3
273.18622	1.3
275.20270	0.8
289.18082	1.2
291.19644	100.0
292.20010	9.4
293.21158	4.7
294.21527	0.5
307.19064	1.3
309.20703	0.6
321.43268	0.3
329.21008	1.4
334.46179	0.3
343.48007	0.3
443.19354	0.6
445.20544	1.2
461.20584	0.6
483.30814	0.6
501.32217	0.4
516.35236	0.3
527.28650	6.6
528.28876	1.0
539.79712	0.3
719.39911	1.3
720.40363	0.5
737.41138	2.2
738.41803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53218	0.4
59.01242	2.1
61.98701	100.0
62.98397	0.7
71.01270	2.1
71.19355	1.2
75.00761	1.4
75.39576	0.4
78.98470	0.7
79.95596	3.0
80.96397	6.6
81.03343	0.6
82.03697	0.5
83.04906	2.0
85.82381	0.6
87.00759	0.7
88.98717	0.5
89.02295	0.9
94.97963	1.2
96.55488	0.5
100.12751	0.4
101.02319	1.1
118.29610	0.5
125.02357	2.8
125.03146	0.5
136.99318	0.5
163.11217	1.7
164.98563	1.2
165.12782	1.1
169.01389	1.3
169.12291	0.6
171.10243	1.5
183.13794	1.1
197.11789	0.8
209.11774	41.4
210.12143	2.5
211.13365	0.9
225.00745	1.9
225.11406	0.5
227.12842	6.1
228.13174	0.7
231.10233	0.5
235.08243	0.7
253.09406	1.7
273.17169	1.2
298.67126	0.6
364.92059	0.5
445.21118	1.1
534.66571	0.5
611.29382	0.6
734.22125	0.5
737.30255	8.1
738.31677	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92930	0.5
59.01250	1.9
61.98700	95.9
63.96106	1.7
69.03333	1.4
69.15597	0.5
71.01247	11.6
71.40723	1.1
73.02817	2.9
75.00713	0.7
78.98463	8.0
79.95603	25.4
80.96385	92.6
81.03339	1.4
83.01250	0.7
85.02828	3.9
87.00748	3.6
89.02283	0.7
92.65938	0.5
94.97956	20.5
96.52850	0.5
96.95877	4.0
97.02829	2.1
99.00777	1.0
99.74008	0.5
101.02325	4.0
106.45008	0.5
106.97977	4.5
113.02296	1.0
122.97445	5.0
125.02339	4.9
127.03910	1.4
134.97481	7.0
136.98997	2.7
143.03508	0.6
148.99023	7.5
152.98538	8.1
161.04427	1.0
163.11150	0.6
164.98543	20.1
165.12781	0.8
166.13229	0.5
167.00096	0.7
168.98120	0.5
171.10191	0.6
183.13823	8.3
184.14133	0.8
188.98689	0.6
197.11728	1.9
206.99611	3.9
207.10249	0.7
209.11789	6.5
211.13290	2.3
225.00684	31.3
225.51498	0.6
226.00957	1.0
227.12820	1.1
253.09154	1.0
283.04935	0.7
283.09924	0.7
291.19562	1.4
309.20844	1.0
425.15085	1.0
509.17035	2.6
511.29431	0.7
607.27765	3.0
691.30347	1.8
693.30756	0.9
705.37079	0.8
719.29639	4.7
720.29266	0.7
737.30542	100.0
738.30890	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	736.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.2
61.98699	100.0
62.98405	0.2
98.20657	0.2
119.34422	0.1
140.87978	0.1
145.80475	0.1
183.13820	0.2
209.11789	0.3
211.13316	1.4
212.13628	0.9
213.12149	0.1
213.13774	0.4
214.14227	0.1
215.55716	0.1
225.11386	0.1
230.24904	0.1
250.11859	0.1
291.19748	0.2
308.22601	0.1
364.83206	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01241	1.1
61.98700	11.0
63.96111	1.5
64.31176	0.4
69.03310	1.1
71.01256	8.9
71.18108	0.4
71.49506	0.7
72.99158	0.9
73.02819	1.9
75.00736	0.4
78.98460	6.7
79.95599	14.8
80.96389	83.2
81.03320	1.4
83.04884	0.4
85.02817	3.2
87.00753	2.9
89.02326	0.7
94.97961	19.1
95.01269	0.6
95.04938	0.4
96.95885	9.5
97.02821	1.9
99.00751	1.0
101.02322	4.1
106.97966	4.0
109.06499	0.4
111.16955	0.4
113.02322	0.7
114.05496	0.5
122.97465	3.8
125.02341	5.4
127.03818	0.7
134.97470	6.6
136.99020	1.6
148.99034	6.9
152.98538	7.5
161.02327	0.6
161.04465	0.5
164.98546	14.0
165.12732	0.6
167.00119	0.6
169.01305	1.6
171.10168	3.0
182.99561	0.7
183.13829	0.9
188.98555	0.5
197.11719	1.7
206.99609	3.4
209.11769	10.2
210.12097	0.7
215.12758	1.4
224.32823	0.4
225.00700	26.6
226.01021	1.2
227.12836	1.3
253.09258	0.7
271.02460	0.6
273.16797	0.4
283.04828	0.7
301.16370	0.6
321.16165	0.4
349.68481	0.4
509.17020	4.1
586.55621	0.4
601.23749	0.4
705.35052	0.5
737.30542	100.0
738.30829	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	736.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.5
61.98699	100.0
62.98406	0.3
69.03311	0.1
71.01257	0.5
71.49277	0.2
80.96378	0.2
89.02330	0.3
98.15662	0.1
98.27596	0.1
101.02322	0.4
114.75077	0.1
125.02410	0.2
192.90036	0.1
209.11801	0.4
211.11612	0.2
211.13300	0.9
225.11333	0.4
235.08322	0.2
253.09363	0.1
277.21713	0.5
278.22174	0.3
289.18112	0.3
291.19736	0.2
293.21307	0.2
297.11542	0.2
397.13531	0.5
398.13904	0.3
409.93164	0.1
415.14828	0.2
737.41541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.2
61.98699	100.0
62.98402	0.2
71.01265	0.2
71.49062	0.1
79.95618	0.1
80.96376	0.1
89.02338	0.1
94.98010	0.1
101.02369	0.2
119.08517	0.1
120.01968	0.1
125.02335	0.1
135.08186	0.1
140.06168	0.1
171.01518	0.1
171.10213	0.1
209.11751	1.0
210.12144	0.3
211.13338	1.1
212.13686	0.2
225.11331	0.2
227.12840	0.2
235.08258	0.1
253.09358	0.3
275.20480	0.1
289.18094	0.5
290.18530	0.2
291.19717	0.6
307.19165	0.4
525.12061	0.1
552.29791	0.1
583.18622	0.1
718.39465	0.1
719.40802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57819	0.1
55.77393	0.1
55.98741	0.1
59.01255	0.2
61.98701	100.0
62.98413	0.2
70.40302	0.3
71.01263	0.3
75.00736	0.2
78.98473	0.1
79.95598	0.4
80.96394	1.4
87.00767	0.1
94.97973	0.3
97.02789	0.1
97.77725	0.1
101.02340	0.2
125.02331	0.2
134.97493	0.1
164.98537	0.2
169.01320	0.1
169.12231	0.1
183.13861	0.2
197.11769	1.0
201.40646	0.1
207.10216	0.2
209.11781	1.0
211.13362	0.9
223.13315	0.2
225.00771	0.3
225.11290	0.1
235.08113	0.1
253.09346	0.2
255.03004	0.1
271.02606	0.2
291.19769	0.1
300.02811	0.3
320.77975	0.1
433.21082	0.1
600.27618	0.1
637.32788	0.1
665.28870	0.3
679.16199	0.1
691.30353	0.2
736.35590	0.1
737.33679	0.9
755.17371	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07552	0.1
59.01246	0.4
61.98698	100.0
62.98418	0.2
69.10726	0.1
71.01253	0.4
89.02305	0.2
96.56657	0.1
101.02341	0.4
125.02280	0.1
209.11711	0.2
211.13353	0.7
225.11365	0.2
247.90196	0.1
253.09264	0.1
277.21744	0.4
278.22086	0.3
289.18033	0.2
290.01877	0.1
297.11404	0.2
397.13470	0.6
398.13892	0.3
415.14819	0.2
416.15060	0.1
490.05157	0.1
502.42297	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70818	0.1
55.77727	0.1
59.01249	0.4
60.64881	0.1
61.98699	100.0
62.98388	0.2
69.39507	0.7
71.01271	0.2
80.96365	0.1
85.02853	0.1
94.58611	0.1
101.02354	0.2
143.10689	0.1
161.04533	0.1
171.10300	0.1
207.10378	0.2
208.10399	0.1
209.11815	0.9
211.13350	1.5
212.13655	0.8
213.13919	0.2
213.64734	0.1
227.12880	0.4
249.97656	0.1
253.09367	0.2
268.29666	0.1
291.19620	0.5
292.19720	0.1
293.21375	0.1
307.19098	0.1
309.20807	0.1
383.95551	0.1
399.17578	0.1
607.66644	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.1
61.98697	100.0
62.98402	0.2
62.99125	0.1
71.01263	0.1
79.95607	0.2
80.96386	0.2
171.10220	0.1
183.76323	0.1
192.98459	0.1
209.11803	0.2
225.00755	0.1
229.08754	0.1
271.02475	0.2
287.01892	0.1
314.43628	0.1
316.02328	0.4
464.17151	0.1
480.26401	0.1
623.33020	0.1
651.13788	0.3
687.32159	0.1
737.32068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59978	0.9
55.01765	0.8
57.03307	3.3
57.35172	0.8
58.00458	1.7
58.28753	0.8
59.01244	14.4
64.83838	0.8
67.01747	1.1
68.99651	1.2
70.65417	2.3
70.65785	1.3
71.01250	20.8
72.99166	6.6
73.02810	1.7
75.00741	21.8
75.01416	0.8
83.01260	1.1
83.04881	2.9
84.02037	1.1
85.02823	23.6
87.00736	8.1
89.02309	4.4
95.01257	5.6
99.00750	13.4
103.00234	2.3
113.02328	24.7
115.00242	3.6
117.01817	3.3
125.09603	2.5
127.11156	3.9
129.01793	1.8
131.03288	0.9
146.33896	0.8
154.34712	0.8
155.10597	1.2
157.01361	0.8
163.11189	2.0
165.09071	1.9
165.12727	2.5
171.10179	2.9
171.25630	1.0
175.02391	3.0
183.10268	1.2
201.11250	39.8
202.11488	1.8
205.07118	1.4
209.11766	41.1
210.12088	3.7
227.12817	3.2
249.06102	2.5
255.23262	54.7
256.23563	5.3
419.52774	1.0
434.87985	0.9
671.40381	1.0
689.41174	14.0
690.41333	2.8
715.42694	66.5
716.42847	13.9
733.43732	100.0
734.44006	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01397	0.7
57.03337	1.7
58.44228	0.6
59.01248	7.7
61.98696	2.2
69.03317	1.9
71.01256	4.2
71.04897	0.7
71.49549	1.0
73.02819	0.7
76.83572	0.7
83.04892	1.0
85.02808	1.2
87.00743	0.9
89.02301	3.8
91.87443	0.6
93.03368	0.7
95.04899	1.0
97.06444	0.7
101.02335	3.2
109.06476	0.7
111.08036	8.3
113.02335	2.1
118.34010	0.6
125.02338	1.5
137.09645	0.9
149.09567	1.1
161.04482	2.1
167.10703	4.4
169.98257	0.6
177.12750	2.4
179.05489	0.7
179.10687	2.9
179.14297	4.0
195.13855	15.4
196.14122	1.0
201.35883	0.7
205.12280	8.8
223.13351	94.5
224.13692	6.0
235.08232	3.6
247.20621	2.8
253.09268	12.3
254.15048	0.6
291.19656	100.0
292.19983	10.0
295.63174	0.7
317.33609	0.6
320.24054	0.7
441.21442	1.5
459.22372	10.7
460.22394	1.2
479.31628	1.2
509.27417	1.3
527.28821	5.9
528.29358	1.1
676.88995	0.7
715.40930	1.6
733.41583	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	733.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
59.01246	12.0
61.98711	2.8
70.77637	0.6
70.77984	1.0
71.01251	14.2
72.99178	0.5
73.02810	0.8
75.00744	0.6
81.03302	0.6
83.04891	0.9
85.02810	0.8
87.00747	0.9
89.02310	2.0
97.02822	1.0
101.02335	2.4
109.06467	4.0
113.02306	1.4
135.08052	0.5
145.04988	0.4
161.04439	0.9
163.11177	1.9
167.14317	0.5
171.10187	3.1
179.05531	0.6
181.12222	1.3
183.13831	6.0
185.11736	1.1
193.12282	1.8
199.09656	1.9
199.13330	0.7
201.11263	1.2
207.10199	9.1
208.10580	0.7
209.11760	5.6
211.13332	100.0
212.13680	6.7
225.11250	6.4
227.12863	2.8
235.08116	1.7
235.96146	0.5
253.09219	4.8
373.23938	0.6
375.25470	0.5
387.25403	0.5
391.24820	0.7
401.23315	0.8
419.24170	0.8
429.21262	1.5
447.22314	7.5
448.22495	0.7
461.20383	2.5
604.96008	0.5
623.34497	1.2
637.32458	1.5
641.35083	0.7
655.33453	1.9
656.34167	1.3
733.38135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.2
59.01251	8.4
61.98693	0.5
69.03308	0.4
70.23563	0.7
71.01254	3.8
85.02849	0.4
87.00746	0.4
89.02330	1.1
95.01267	0.3
101.02331	1.8
109.06464	0.5
113.02325	0.8
119.03410	0.3
125.09583	0.2
136.54161	0.2
141.26970	0.2
143.03427	0.3
155.10677	0.2
161.04488	0.7
163.11212	0.2
165.12686	0.4
167.10661	0.3
167.14224	0.4
171.10147	0.3
179.05527	0.4
183.13834	6.0
193.12267	1.8
199.09724	0.5
200.86263	0.2
207.10249	1.1
209.11838	0.7
211.13342	100.0
212.13690	6.2
225.11249	1.0
227.12837	0.7
235.08253	1.5
253.09244	4.1
312.94980	0.2
327.12619	0.2
342.11453	0.2
366.30203	0.2
387.25314	0.4
401.23599	0.2
429.21204	1.4
430.22031	0.2
447.22339	9.7
448.22876	0.9
623.34247	2.1
624.34760	0.5
626.64905	0.2
637.32758	0.4
641.35828	1.6
642.35669	0.3
655.33649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.1
61.98698	100.0
71.01241	0.2
71.04705	0.2
71.05012	0.2
72.99174	0.7
75.00743	3.6
80.98177	0.1
85.25657	0.1
85.66039	0.1
88.98656	0.5
89.02320	0.2
93.84998	0.1
96.95876	0.2
125.02325	0.1
154.93631	0.1
162.84711	0.1
164.05028	0.1
169.01395	0.2
171.10225	0.5
185.11855	0.1
188.99049	0.1
201.11322	0.2
207.10225	0.2
209.11765	1.4
210.12161	0.2
211.13373	1.6
223.13402	0.1
227.12987	0.3
244.43631	0.1
253.09300	0.3
285.17239	0.1
437.54230	0.1
527.55634	0.1
554.89728	0.1
732.41370	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	733.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10632	1.6
59.01236	3.5
61.98704	19.4
70.60216	1.5
71.01250	3.6
71.38211	1.4
71.49583	3.1
73.02818	1.7
75.00740	4.7
80.96416	2.0
81.03381	2.1
83.04899	3.4
83.19174	1.6
88.98676	4.6
89.02315	3.3
101.02337	2.5
118.94312	1.6
125.02351	11.3
145.02867	4.9
161.02336	2.2
163.11133	3.8
169.01318	10.6
171.10153	4.4
199.13272	4.5
209.11777	100.0
209.39449	1.8
210.12080	8.0
211.13295	3.8
227.12816	18.0
235.08316	2.6
253.09264	5.2
270.01688	2.1
271.02512	3.6
287.02005	4.1
316.02206	7.0
317.02951	2.7
339.01178	5.7
445.20627	2.8
651.13342	2.4
673.11810	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	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
59.51971	0.2
60.99288	0.2
61.98697	100.0
71.01247	0.5
75.00751	0.4
80.96390	0.7
85.02796	0.3
87.00757	0.4
96.23826	0.2
99.00797	0.5
104.37000	0.2
123.00723	0.2
171.10191	1.3
172.10533	0.6
186.29190	0.3
189.24231	0.2
220.23166	0.3
225.11290	0.3
255.23285	0.6
277.21729	0.9
278.22049	1.2
279.22458	0.8
504.54196	0.3
551.65442	0.3
713.41925	0.5
731.38586	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	730.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00366	0.2
59.01237	0.5
61.14825	0.2
61.98698	100.0
71.01249	0.4
74.23270	0.2
80.96394	0.7
85.02812	0.4
86.37067	0.2
87.44724	0.2
127.28947	0.2
140.73500	0.2
145.37343	0.2
157.14629	0.2
171.10194	2.4
172.10464	1.1
173.10803	0.4
177.09254	0.2
225.00769	0.2
229.26630	0.2
255.23372	0.4
264.77411	0.2
277.21683	0.4
278.22070	0.6
279.22455	0.4
328.19992	0.2
440.79913	0.2
479.78125	0.3
515.42065	0.2
659.40137	0.2
713.41571	0.5
731.38367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2552
Annotation	erythro-Carolignan E
Peak:m/z	Relative Intensity
58.29763	0.7
61.98684	0.8
63.19554	0.7
70.40995	2.7
72.41868	0.7
72.99148	1.0
78.02610	0.9
87.63594	0.7
89.03843	1.1
104.90588	0.7
105.03368	1.4
106.04098	1.0
108.02095	1.1
109.02811	0.9
117.03336	3.8
119.04896	2.2
121.02816	2.1
125.02396	1.2
128.62033	0.7
132.02061	7.4
133.02846	8.2
134.03627	100.0
135.04456	13.6
136.01550	3.2
137.02342	10.2
139.03905	3.4
145.02823	2.2
147.04413	1.9
148.05180	2.6
149.02332	1.6
149.05978	21.3
150.03123	2.7
150.06354	1.0
151.03877	1.3
160.01572	24.6
161.02373	5.7
162.03116	3.6
163.03931	2.3
164.45128	0.7
165.05537	1.2
175.03917	40.3
176.04420	1.6
177.05479	1.3
178.02635	31.9
179.03407	12.9
192.04218	2.1
193.04982	80.0
194.05296	2.5
199.13354	1.3
200.13663	0.7
207.06584	2.0
209.11723	2.1
211.13344	2.5
221.11769	1.3
228.37506	0.6
236.16026	0.9
251.16389	1.4
309.20547	1.2
319.44757	0.8
320.37323	0.9
327.12457	1.1
342.11014	9.9
343.11752	3.1
353.10294	2.0
356.12598	2.1
357.13416	20.2
358.13950	1.8
368.12518	0.8
371.11206	1.6
383.15103	1.0
397.12949	2.2
411.14374	1.4
503.17087	12.5
504.17850	1.3
505.18494	1.3
517.18665	3.7
535.19348	0.9
553.20715	8.7
554.21265	1.1
711.23816	1.3
729.25464	37.0
730.25903	6.6
731.76929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.0
59.01243	8.5
61.98691	4.0
62.60955	1.8
65.34216	1.9
71.01241	10.6
71.48991	2.8
73.02807	3.5
75.41987	1.8
83.04871	3.9
85.02804	3.5
87.00729	4.2
88.98643	2.1
89.02306	6.1
101.02299	6.7
111.08035	5.9
113.02332	2.7
115.99050	1.7
116.92743	5.0
117.09147	1.7
125.02325	3.6
125.09606	4.1
126.01362	2.3
127.11156	4.7
151.00220	2.7
155.10603	2.8
165.12804	2.6
167.10674	2.0
171.10135	6.3
179.05536	2.1
181.12364	1.9
183.13858	9.6
195.13847	5.4
197.11752	27.2
198.12144	2.1
199.09512	2.1
199.13289	2.5
201.11258	100.0
202.11580	5.3
203.03372	4.6
205.12164	4.1
207.10265	2.2
209.11751	63.4
210.12148	3.9
211.13391	16.7
212.13655	3.1
223.13348	51.0
224.13727	3.0
227.12827	15.3
235.08179	5.8
244.91232	1.7
249.14905	1.9
253.09227	33.1
255.03012	2.2
263.20071	2.1
271.02646	4.6
291.19504	7.4
300.02646	7.0
309.17355	2.5
309.20688	44.3
310.20993	3.7
316.01999	2.0
330.34988	2.2
459.22180	5.4
463.06577	2.3
493.31668	2.5
508.48184	2.4
519.14154	2.3
545.29572	3.4
572.29425	2.4
651.33112	2.5
656.33405	3.8
693.14374	6.8
694.14752	2.5
729.35742	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78224	1.2
57.03319	13.1
65.05694	1.1
69.79405	6.5
83.01273	3.9
87.27776	1.0
93.03351	2.1
95.01276	1.2
95.04903	2.2
97.02828	1.9
98.20501	2.3
105.03314	2.6
107.04912	2.3
109.02845	9.0
109.05518	1.3
117.13117	1.3
121.02832	3.6
123.00766	3.2
123.04404	3.6
125.02335	100.0
126.02656	3.4
131.04922	2.6
133.02832	3.9
135.04475	1.3
137.02342	17.5
139.03903	3.3
143.04892	1.6
145.02824	2.2
147.00815	1.5
149.02365	6.2
151.03909	12.0
159.04408	2.8
161.02339	20.4
161.05952	1.6
162.03105	1.6
163.00296	3.0
163.03850	1.6
164.01041	4.2
165.01801	5.6
167.03406	3.1
169.01353	9.8
175.00287	1.5
175.03897	16.1
177.01848	55.3
177.05511	4.1
178.02202	2.1
179.03439	2.4
187.03938	3.4
191.03403	3.4
193.01350	1.2
193.05006	2.5
199.03918	4.1
201.01801	1.3
201.05534	2.4
203.03392	2.7
203.06981	2.4
205.05020	2.2
211.03946	1.6
213.05528	1.4
215.03438	2.6
217.04993	7.0
219.02925	4.7
219.06438	2.9
225.05504	1.5
227.03418	4.4
228.04167	1.1
229.01460	1.3
229.05013	3.0
241.04828	1.5
243.02953	12.5
244.03334	1.4
245.04480	4.3
245.08199	3.0
253.04994	2.1
255.02895	8.7
256.03671	3.8
257.04541	2.2
261.04068	5.1
269.04660	6.0
271.06207	2.7
273.03970	3.5
281.04565	1.6
283.02490	3.8
285.03989	5.0
287.05548	11.9
289.07159	17.8
297.04047	3.8
301.03537	3.7
303.05185	6.5
304.05518	1.4
305.06668	8.3
313.03503	2.3
339.09024	1.9
347.04739	1.2
381.09607	1.3
389.06702	2.6
405.06161	3.9
407.07675	27.8
408.07867	3.3
423.07251	37.4
424.07565	5.0
425.08707	3.2
433.09122	1.7
441.08240	4.7
451.10330	6.1
461.14584	1.3
465.08344	3.1
543.08868	1.5
559.09485	1.4
561.10657	3.1
577.13300	3.6
591.11365	4.1
609.12769	3.2
723.45056	1.5
729.15076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92420	0.3
59.01250	15.7
69.41552	2.3
71.01239	2.4
83.04922	0.4
85.02825	0.7
87.00735	0.4
89.02319	1.3
101.02309	1.6
113.02335	0.9
115.48304	0.3
119.03403	0.4
122.34309	0.3
125.09544	0.7
127.11185	1.5
127.84271	0.4
128.93941	0.3
145.05003	0.4
152.99608	0.4
153.09068	0.4
161.04460	0.9
171.10181	100.0
172.10521	5.0
183.13838	0.9
184.14171	0.6
185.14503	0.4
209.11786	6.8
210.12173	1.8
211.12350	0.9
221.87978	0.4
227.12695	0.8
228.13193	0.4
235.08238	1.8
253.09283	5.4
277.21713	50.5
278.22107	4.5
279.23315	1.5
280.23541	1.4
281.24496	1.4
300.15588	0.4
407.19339	2.7
513.30145	0.5
722.88501	0.4
727.44141	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	727.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60482	1.9
57.03318	7.3
59.01245	1.9
61.98701	56.2
64.19411	2.0
71.01248	2.7
71.49874	3.5
79.95637	2.1
80.96372	2.4
83.01259	2.4
83.04921	2.3
85.77132	2.0
89.02325	2.7
90.77059	2.0
102.71646	1.9
116.92711	14.8
125.02335	54.3
126.02701	10.1
137.02310	3.3
161.02324	16.5
162.02747	6.5
167.03397	3.5
169.01425	9.4
181.02870	2.2
191.05554	13.8
201.11285	20.0
209.11769	100.0
210.12096	7.1
227.12819	26.6
228.13081	2.2
235.08311	4.2
253.09344	9.9
255.58632	2.0
287.05618	5.9
288.06021	3.0
375.27466	48.1
376.27817	55.5
377.28134	4.9
419.81302	2.3
437.19983	3.0
445.20758	10.4
446.21210	2.7
463.21707	2.1
552.55670	2.1
578.05573	2.6
584.25983	2.3
629.31635	3.1
664.97736	2.2
727.32794	22.3
728.33527	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	727.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24518	0.3
55.01757	0.5
58.63475	0.4
59.01246	21.8
71.01257	2.6
71.12894	0.8
73.02798	0.4
78.62674	0.3
85.02858	0.6
89.02318	1.8
101.02338	2.2
113.02327	1.4
113.08446	0.4
119.03351	0.6
125.09626	0.5
127.11200	1.6
145.04935	0.4
161.04424	1.1
171.10170	88.7
172.10509	3.9
209.11774	6.0
210.12111	1.1
211.12318	0.5
227.12871	1.0
235.08127	3.4
253.09250	7.6
277.21698	100.0
278.22031	9.9
279.23215	2.5
280.23618	2.2
281.24829	5.2
339.09232	0.4
407.19150	1.3
407.26138	0.4
513.30670	0.7
600.67041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.3
58.00463	0.5
59.01248	12.7
61.98698	1.2
63.16751	0.3
69.03322	2.4
71.01252	4.6
71.04884	0.6
73.02802	0.9
82.92625	0.3
82.95298	0.5
83.01251	0.6
83.04883	1.0
85.02832	1.2
85.06439	0.7
87.00745	0.9
89.02326	2.8
93.03306	0.5
95.04897	0.3
97.02863	0.3
98.20576	0.8
98.24630	0.3
101.02325	4.4
109.06471	0.8
111.08044	4.1
113.02361	1.7
119.03362	0.9
119.27590	0.3
123.08129	0.3
125.02315	0.6
125.09560	0.4
143.03368	0.4
145.04987	0.5
149.09622	0.7
151.11191	0.6
153.09120	0.5
153.12714	1.6
161.04453	1.7
167.10681	2.1
169.12250	7.5
171.10184	0.4
175.11244	0.3
177.12775	0.8
179.05592	0.8
179.10680	1.5
179.14323	2.7
181.12215	0.6
183.13924	0.3
184.00793	0.3
185.11807	0.4
195.13835	7.4
197.11757	100.0
198.12082	6.1
199.13374	1.7
205.12259	7.1
205.15579	0.3
209.11707	0.6
209.15395	1.0
210.12291	0.3
211.13315	4.0
212.13649	0.4
221.15268	0.5
223.13342	76.0
224.13646	4.9
227.12796	0.5
231.13704	0.4
235.08191	4.3
249.14908	2.4
251.16475	0.8
253.09274	12.2
254.09738	0.7
263.20135	1.2
265.17969	0.5
273.18518	0.9
291.19647	8.6
291.22739	0.6
292.19968	0.5
293.21152	0.5
309.20715	26.6
310.21100	2.2
396.31104	0.3
411.25476	0.8
429.26135	0.8
433.20767	3.3
441.21243	1.2
459.22348	11.2
460.22571	1.8
545.29913	0.7
595.31506	0.4
621.33099	0.5
647.34637	1.5
665.35748	1.7
666.36346	0.3
715.05695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75869	0.2
55.01751	0.2
57.03315	0.5
58.00473	0.4
59.00961	0.5
59.01249	7.4
61.98698	0.7
68.99656	0.2
69.03321	1.6
71.01254	3.4
71.29160	0.2
73.02814	0.8
83.01260	0.4
83.04891	0.7
85.02830	0.9
85.06461	0.2
87.00735	0.7
89.02319	2.3
95.01262	0.3
97.02889	0.3
97.06429	0.2
99.00776	0.2
100.01094	0.2
101.02329	3.2
109.06452	0.2
111.08038	4.3
113.02341	1.5
119.03380	0.8
125.02326	0.3
125.09600	0.3
127.07545	0.2
141.09129	0.3
143.03429	0.3
145.04953	0.5
151.11153	0.5
153.09119	0.5
153.12766	1.6
161.04465	1.6
167.10744	1.2
169.10822	0.4
169.12245	6.6
170.12589	0.4
171.10165	0.3
177.12791	0.5
179.05499	0.6
179.10690	1.0
179.14349	1.3
181.12245	0.3
195.13844	3.5
197.11757	100.0
198.12079	5.1
199.13329	1.7
200.28139	0.2
205.12277	3.5
206.12639	0.3
209.15562	0.2
211.13351	3.1
212.13956	0.2
223.13342	34.9
224.13689	2.6
224.39928	0.2
227.12798	0.5
231.14047	0.3
235.08174	4.6
249.14830	1.1
253.09265	10.9
254.09680	0.5
263.20123	1.2
265.18161	0.5
273.18530	0.7
280.84607	0.3
291.19662	8.4
292.20044	1.0
293.21326	0.3
309.20703	27.3
310.20963	2.1
411.25330	0.5
429.26303	0.3
433.20810	3.8
434.21347	0.4
441.21158	0.6
459.22363	4.7
460.22641	0.8
485.23770	0.4
489.32126	0.3
527.28528	0.3
545.29791	0.7
647.34558	0.8
665.35425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42934	5.0
61.98710	51.9
66.24916	4.6
69.08498	5.2
70.35075	15.5
70.35410	5.1
73.06876	4.6
93.99148	5.4
96.95898	11.9
102.17319	5.2
103.04688	5.6
125.02328	30.8
157.15448	5.3
161.02440	5.5
169.01373	15.6
172.93398	5.5
209.11786	87.7
210.12070	6.0
211.13310	100.0
212.13794	8.6
227.12825	16.1
253.09184	8.2
305.06650	14.6
312.03339	6.9
374.83328	5.1
419.61786	5.3
447.22354	13.3
484.37427	5.9
572.92181	6.4
725.36108	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.9
61.05804	0.9
61.98700	11.4
63.02246	1.2
65.00185	2.1
70.24825	1.8
70.25189	3.6
71.01248	1.4
79.95639	1.0
80.96406	3.0
82.95973	1.9
89.02287	1.2
101.02297	1.1
104.05317	1.0
107.01273	3.1
118.07848	1.1
121.86710	1.0
124.01564	2.8
125.02344	2.6
135.00813	1.2
143.04887	2.8
147.04321	1.3
151.00255	9.5
159.04448	2.8
163.00276	2.5
163.11241	1.2
164.01021	2.9
169.01363	2.4
171.04398	1.6
175.04088	1.1
177.01952	1.5
178.99785	8.9
183.13861	1.4
187.03888	4.4
189.01733	1.6
199.03899	2.5
199.09825	1.1
201.01881	1.9
203.03398	15.6
204.03789	1.5
209.11763	23.5
210.11992	1.2
211.13329	32.6
212.13654	2.4
213.01772	1.1
214.02611	6.4
215.03404	10.9
216.03908	1.7
227.03375	1.8
227.12810	5.6
230.02003	1.3
230.43942	1.1
231.03001	8.4
235.08139	2.3
242.02122	5.4
243.02901	12.9
244.03398	1.6
253.09256	3.3
255.03001	1.7
258.01663	1.2
259.02417	26.0
259.04929	1.9
260.02734	2.1
270.01697	6.0
271.02460	54.8
272.02798	3.9
287.01962	49.1
288.02444	6.5
300.02753	2.2
301.03555	1.5
315.01450	77.2
316.02179	100.0
317.02637	9.0
327.01282	1.5
328.02118	1.7
329.02969	4.3
336.15817	1.1
357.02463	2.7
362.96896	1.0
373.07263	1.4
389.06711	1.8
390.07568	1.2
418.06866	3.5
419.07690	2.5
447.22253	7.9
462.06235	2.1
463.06674	43.2
464.06876	6.3
505.07986	2.1
545.09271	1.7
546.10120	25.2
547.10840	63.2
548.11188	11.9
630.24158	1.3
633.11932	1.5
639.33795	2.4
651.13257	1.1
665.14954	2.4
693.14465	23.1
694.14917	6.6
725.34796	15.7
726.35516	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	725.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	8.5
61.98703	31.1
71.01247	20.0
71.05282	1.3
71.49332	1.5
73.02821	1.3
75.00734	5.8
79.95613	2.4
80.02527	1.8
80.96389	3.0
81.03326	3.1
83.01268	1.7
83.04882	5.5
87.00756	1.7
88.98666	4.3
89.02320	4.6
94.97930	1.5
97.02799	3.2
101.02322	5.2
102.65892	1.4
107.01225	1.4
109.06469	15.2
113.02299	2.8
119.03369	1.9
123.70316	1.2
125.02332	7.6
125.09586	1.6
135.08064	2.1
137.45886	1.3
151.00311	2.3
157.26451	1.3
161.04437	2.4
161.09535	1.8
163.11195	12.0
165.12779	2.1
169.01373	8.7
171.10172	3.0
178.99770	1.7
181.12286	2.8
185.11731	2.8
194.80716	1.4
197.11847	2.1
201.11263	2.0
207.10201	51.8
208.10516	3.5
209.11761	100.0
210.12134	6.2
211.13295	2.3
225.00523	1.4
225.11263	31.2
226.11696	3.1
227.12825	15.2
235.08124	3.8
253.09299	13.2
270.01532	2.1
271.02563	9.3
287.01904	6.2
296.08957	1.4
316.02155	19.1
317.02499	1.5
399.21796	2.8
417.22870	2.1
443.19031	2.1
461.20288	11.5
462.20883	1.4
463.89496	1.6
483.04074	1.6
547.10992	2.3
632.55853	1.5
635.30615	2.9
653.31805	3.1
671.33191	7.0
672.33423	3.7
725.13300	6.7
725.31635	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	725.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.3
61.97409	0.3
61.98701	3.8
63.02258	0.3
65.00182	0.6
70.86871	0.9
73.05882	0.4
80.96379	0.8
83.01231	0.4
90.22027	0.3
97.17022	0.3
107.01278	1.1
112.29308	0.3
112.36721	0.3
123.00797	0.5
124.01542	2.5
125.02297	0.7
136.01514	0.8
139.09308	0.4
145.02841	0.5
148.01602	0.4
151.00276	2.8
152.01022	1.0
155.27266	0.3
163.00294	1.3
164.01057	1.6
169.01344	0.8
171.04401	0.4
171.10161	0.4
173.02309	0.5
175.03778	0.4
178.99780	4.5
185.02446	0.6
186.03236	0.5
187.03896	0.6
197.11768	1.0
199.03908	0.5
201.02008	0.5
203.03494	1.5
204.04175	0.7
209.11797	1.9
211.13347	1.8
213.01848	0.5
214.00681	0.6
214.02646	9.1
215.03384	1.6
219.09877	0.4
227.03496	1.3
227.12825	0.7
231.02974	0.8
232.03607	0.4
241.01334	0.5
242.02147	6.5
243.02979	5.1
244.03535	0.5
259.02432	8.6
260.02756	0.8
270.01694	8.0
271.02460	44.4
272.02805	3.7
287.01968	26.8
287.05331	0.5
288.02441	3.7
300.02753	0.7
306.95889	0.4
315.01559	3.2
316.02216	100.0
317.02576	8.3
374.30185	0.4
399.77560	0.3
454.34488	0.3
538.63782	0.4
547.10907	13.4
548.11346	2.4
693.14545	42.4
694.14801	8.9
725.17267	11.0
725.33374	0.9
726.17584	2.3
746.53778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47914	1.1
59.01237	2.1
60.99178	18.7
61.98386	1.7
61.98700	30.3
71.01250	3.2
80.96378	2.9
82.95962	1.5
88.98672	100.0
94.97959	1.3
95.07840	1.0
96.24073	1.0
96.95814	1.2
101.02301	1.3
119.04938	1.1
125.02324	3.4
145.02824	2.4
145.63788	1.0
151.00230	3.9
169.01265	1.3
171.10222	1.1
177.01794	1.7
178.99742	1.9
197.11717	1.2
201.11194	1.2
209.11758	7.3
211.13322	3.3
227.03389	1.8
229.42580	1.1
243.02879	4.7
246.11220	1.0
253.09245	1.8
255.02939	14.8
271.02460	34.8
272.02780	2.7
291.19650	1.7
299.02048	7.6
300.02728	66.6
301.03238	6.8
489.10312	20.6
490.10168	2.2
635.14044	51.9
636.14594	8.8
643.49402	1.2
724.32544	5.5
725.32977	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	725.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.2
61.98684	1.8
65.00195	2.2
72.86892	0.6
73.18683	0.6
80.96371	1.1
83.01257	0.8
107.01226	3.7
109.18992	0.6
115.53481	0.6
118.11478	0.6
123.00774	1.1
124.01526	2.2
125.02332	1.5
135.00780	1.1
143.04915	1.8
147.04439	1.0
151.00261	12.1
152.00922	1.0
157.02835	0.9
159.04449	2.6
161.02316	1.3
163.00278	2.8
164.01068	1.8
169.01262	1.0
171.04372	1.9
173.02332	1.5
175.03941	1.4
177.01834	0.9
178.99753	7.9
185.02208	0.7
187.03941	4.1
189.01944	1.1
191.03416	1.2
199.03955	3.8
201.01793	2.1
203.03419	15.3
204.03932	0.9
209.11781	5.1
211.13443	3.3
213.01860	2.2
214.02647	5.6
215.03441	9.2
216.03688	0.6
217.01389	2.0
227.03467	1.7
227.12785	1.8
229.01425	1.1
229.41594	0.8
230.02255	1.0
231.02898	8.3
232.03549	1.0
241.01364	1.1
242.02156	6.3
243.02957	11.7
244.03279	1.6
245.00795	0.8
256.03622	0.8
257.04556	0.9
258.01682	1.7
259.02454	27.3
260.02798	2.3
269.00696	0.9
270.01703	6.7
271.02460	51.8
272.02869	4.2
283.02545	0.8
287.01944	55.6
288.02274	4.9
299.87607	0.7
300.02667	2.3
313.03296	1.3
315.01440	71.2
316.02176	100.0
317.02585	9.8
327.01630	1.0
328.02405	1.4
329.02866	3.4
355.00946	1.2
357.02393	2.9
373.07260	1.2
389.06577	2.1
418.06818	3.8
419.07376	2.0
462.05719	2.5
463.06686	42.2
464.07040	5.9
505.09100	1.6
545.09143	2.4
546.10120	28.9
547.10864	62.4
548.11249	8.3
587.10217	1.5
633.12988	1.8
651.13501	1.0
665.15173	2.8
693.14569	23.7
694.14844	6.5
725.34198	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	725.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52832	0.7
53.22101	0.6
59.01232	1.0
60.99178	20.1
61.98700	16.4
69.23833	2.8
69.24258	3.8
71.01255	1.4
80.96407	0.9
81.03309	0.7
87.37296	0.7
88.98677	100.0
89.99011	1.0
93.03336	1.2
102.53185	0.6
107.01265	1.4
108.02037	0.7
108.34622	0.7
121.02824	1.5
125.02344	2.0
137.02357	0.8
145.02852	1.2
146.20303	0.7
151.00294	3.9
169.01331	1.3
171.10194	1.0
177.01959	0.7
178.99773	1.7
179.98415	0.7
199.03973	0.7
207.10188	1.0
209.11758	2.3
211.13370	1.4
221.64432	0.7
225.11194	1.3
226.02835	0.8
227.03362	1.8
240.79610	0.7
243.02946	4.5
245.04427	0.7
253.09320	0.7
255.02998	12.4
271.02475	25.0
272.02945	2.5
284.03149	0.7
299.01691	0.7
300.02740	48.5
301.03351	8.7
489.10406	16.4
490.10687	1.8
543.01227	0.7
635.14001	27.7
636.14423	5.3
707.12305	7.7
708.13116	0.8
725.32123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01218	0.2
61.98700	100.0
62.98406	0.3
70.81933	0.5
79.94032	0.2
96.07600	0.2
103.12615	0.2
117.03359	0.3
145.02873	0.8
151.54198	0.2
198.42863	0.2
202.67896	0.2
211.04036	0.3
227.03430	3.2
228.03964	0.3
255.02959	6.4
256.03558	0.7
283.02466	0.6
284.03250	9.9
285.03745	1.6
394.61252	0.2
515.11884	0.3
593.37579	0.2
661.15649	8.9
662.15973	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	724.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	7.9
59.01228	0.7
61.98701	65.8
71.01237	1.0
71.20351	0.5
71.48969	0.8
74.96360	0.5
74.97205	0.6
81.03323	1.2
83.01257	1.8
91.69650	0.6
92.13886	0.5
93.03378	0.6
95.04897	1.3
96.95885	0.6
105.03327	2.6
121.02778	0.6
124.01533	1.2
125.02337	60.9
125.09601	0.6
126.02672	1.8
127.11196	0.8
133.02892	0.6
135.04427	0.6
137.02353	3.7
137.09636	0.8
139.03848	0.6
149.02405	1.3
153.09053	0.5
161.02351	23.4
162.02702	1.3
165.01874	0.7
166.02632	0.6
167.03415	2.6
169.01344	8.7
171.10196	4.6
177.01860	2.2
177.05475	2.6
183.04335	0.9
198.10225	0.6
201.05449	1.1
201.11243	1.6
209.11758	8.0
210.12096	2.9
225.05511	0.7
227.03482	0.9
229.01390	0.9
231.06061	0.8
243.06572	0.6
253.09196	0.9
269.04578	3.8
287.05606	8.9
288.06253	0.5
302.35776	0.7
305.06686	3.0
329.56958	0.5
373.25934	100.0
374.26227	10.8
513.39771	0.6
661.31848	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23325	0.3
55.01758	0.6
57.03321	0.6
58.00470	0.5
59.01252	5.8
69.03338	0.3
70.86752	0.8
70.87109	0.4
71.01252	5.3
73.02827	1.0
76.40132	0.3
80.02562	0.6
81.03325	0.8
83.01273	0.7
83.04887	2.4
84.02028	0.4
85.02829	1.5
87.00761	1.1
89.02323	3.4
95.01252	0.4
101.02319	5.6
111.08022	0.6
113.02317	2.8
119.03326	0.7
125.02303	0.4
125.05974	0.4
129.01900	0.4
138.19693	0.3
143.03415	0.6
145.04935	0.4
155.10730	0.4
155.14291	0.4
161.04466	2.6
163.11156	1.9
164.11580	0.4
165.12761	1.8
167.10675	0.9
167.14302	0.6
179.05513	0.8
179.14349	0.6
181.12259	0.7
183.13820	6.7
191.10643	0.5
193.12305	1.4
195.13837	4.1
196.14478	0.4
199.13322	5.0
205.12296	0.3
207.10107	0.4
209.11771	54.3
210.12152	3.5
211.13332	100.0
211.88420	0.3
212.13676	5.5
223.13351	3.3
225.11227	0.4
227.12830	17.4
228.13196	1.4
231.21249	0.3
233.22852	0.4
235.08176	4.3
251.39394	0.4
253.09258	17.5
254.09576	0.7
256.13153	0.9
265.21582	0.4
275.20160	4.9
276.20450	0.5
277.21704	53.3
278.22040	4.6
285.65509	0.3
292.20013	0.6
293.21216	59.2
294.21521	4.2
349.27982	0.4
369.27509	0.4
397.42105	0.4
445.20654	0.8
447.22272	4.5
448.22574	0.5
463.21985	2.7
469.32962	0.9
487.34363	0.6
529.30243	0.8
538.18457	0.4
620.87183	0.4
630.18011	0.4
723.42896	1.7
731.81000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
57.03321	0.3
58.00462	0.2
59.01251	4.2
60.55536	0.2
71.01257	3.2
71.45411	0.2
71.87829	0.2
73.02827	0.7
80.02531	1.0
81.03329	1.4
83.01250	0.6
83.04896	4.6
84.02048	0.7
85.02820	0.8
87.00761	0.6
87.46656	0.2
89.02323	2.3
95.01300	0.2
95.04901	0.6
97.06435	0.3
99.00771	0.2
101.02329	3.1
109.06474	0.3
113.02344	1.4
119.03377	0.5
125.02338	0.3
125.05950	0.3
125.09635	0.2
129.01819	0.2
133.05040	0.2
135.08072	0.6
136.08339	0.2
143.03363	0.3
145.04950	0.5
161.04477	1.3
163.11192	3.3
164.11481	0.3
165.12767	2.1
179.05545	0.3
181.12248	0.7
191.10703	0.8
199.13329	0.3
209.11775	100.0
210.10080	0.2
210.12112	6.3
227.12851	12.3
228.13211	0.7
235.08197	3.4
253.09274	9.0
254.09576	0.4
259.20624	0.3
275.20132	0.2
277.21722	78.6
278.22061	7.4
323.95889	0.2
332.14185	0.2
389.56131	0.2
397.06967	0.2
406.83389	0.2
445.20743	0.6
529.53076	0.2
581.34772	0.2
618.16602	0.2
620.63593	0.2
723.42712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.1
57.03308	0.2
58.00455	0.1
59.01244	3.1
67.99497	0.1
70.52601	0.5
71.01247	2.3
71.04881	0.2
72.99173	0.2
73.02804	0.4
73.26466	0.1
76.13787	0.1
80.02554	1.0
81.03325	1.0
83.01237	0.4
83.04891	4.4
84.02034	0.6
85.02816	0.3
87.00738	0.3
88.64900	0.1
89.02313	1.8
95.04893	0.5
97.02835	0.2
97.06456	0.3
101.02308	2.3
109.06440	0.2
113.02347	1.2
119.03400	0.5
125.05928	0.3
125.09598	0.2
135.08047	0.6
143.03416	0.3
145.05000	0.2
147.11702	0.2
161.04465	0.7
163.11183	3.2
165.12769	2.0
166.13010	0.2
173.85439	0.1
179.05510	0.4
181.12209	0.5
191.10632	0.7
209.11752	100.0
210.12094	6.2
211.13332	0.3
225.11269	0.2
227.12825	11.3
228.13139	0.7
233.22704	0.2
235.08171	1.2
253.09239	7.9
254.09729	0.3
275.20093	0.2
277.21695	49.3
278.22064	4.4
291.44467	0.1
293.21350	0.3
402.37997	0.2
445.20786	0.7
463.21393	0.2
578.69586	0.2
734.58032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.01757	0.4
57.03322	0.5
59.01255	6.2
70.98032	0.9
71.01250	5.3
71.04840	0.5
73.02823	1.2
83.04901	0.7
85.02842	1.6
87.00752	1.2
89.02298	3.2
95.01269	0.5
95.04938	0.4
97.06448	0.7
99.00743	0.4
99.56938	0.3
99.99017	0.4
101.02319	3.9
103.26245	0.3
111.08032	1.0
113.02334	2.3
119.03397	0.9
137.93794	0.4
143.03441	0.5
145.04976	0.7
161.04463	1.5
165.12775	9.7
166.13104	0.6
179.05472	0.5
183.13829	69.5
184.14175	3.5
209.11771	5.4
227.12875	4.3
235.08130	2.9
240.80582	0.4
253.09270	7.1
254.09560	0.4
259.20718	0.5
275.20139	0.6
277.21716	100.0
278.22049	8.0
369.22540	0.4
373.19458	0.4
445.20724	2.1
446.21173	0.5
463.21872	2.3
467.65314	0.4
513.30505	0.4
705.42529	0.7
723.43231	74.1
724.43555	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63576	0.2
55.01737	0.3
59.01247	5.4
68.74245	0.3
71.01250	4.1
71.07019	0.6
73.02823	1.0
80.02538	0.7
81.02885	0.2
81.03326	0.9
83.01255	0.9
83.04887	4.0
84.02027	0.6
85.02824	1.0
85.99963	0.2
87.00761	1.2
89.02299	2.0
95.01258	0.3
95.04910	0.4
97.06483	0.2
99.00733	0.3
101.02313	3.3
103.59008	0.2
109.06470	0.3
113.02335	1.5
119.03378	0.6
124.40800	0.2
135.08038	0.4
140.19652	0.2
143.03441	0.3
145.04970	0.9
161.04445	1.4
163.11189	3.2
165.12723	1.3
181.12274	0.4
191.10667	0.7
209.11754	81.3
210.12099	4.6
211.13332	0.6
212.20322	0.2
227.12813	10.5
228.13203	0.6
233.22549	0.2
235.08176	5.3
253.09233	9.5
254.09665	0.4
259.20450	0.3
275.19870	0.3
277.21695	100.0
278.22031	9.1
293.21506	0.3
345.84689	0.2
445.20636	0.3
453.58151	0.2
455.63031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
57.03292	0.5
58.39199	0.3
59.01246	5.6
61.98693	0.5
68.84052	0.4
71.01247	5.0
71.04600	0.7
72.99182	0.6
73.02822	0.7
79.36111	0.3
80.02544	1.6
81.03330	0.9
83.01243	0.9
83.04897	4.8
83.52036	0.3
84.02050	0.9
85.02821	1.3
87.00774	0.9
89.02307	3.9
95.04935	0.8
97.02845	0.4
99.00780	0.5
101.02326	4.7
106.04102	0.4
109.19872	0.3
109.70459	0.5
113.02333	2.5
119.03400	1.1
121.10109	0.5
125.02328	0.7
125.06028	0.6
130.67131	0.4
135.07985	0.5
160.75873	0.4
161.04422	2.1
163.11159	2.9
165.12779	2.0
169.01334	0.7
171.10168	1.0
175.32149	0.4
179.05479	1.1
181.12273	0.7
183.13826	6.5
191.10706	1.2
193.12288	1.4
195.13838	3.3
207.10266	0.6
209.11761	100.0
210.12149	5.9
211.13327	86.9
212.13684	4.3
223.13271	2.2
225.11235	0.8
226.11462	0.6
227.12825	10.0
228.13223	0.5
235.08185	4.4
235.16995	1.9
253.09247	18.5
254.09605	0.9
275.20132	6.9
277.21701	50.6
278.22046	4.3
279.22253	0.5
291.19870	0.4
293.21204	43.1
294.21542	3.5
344.55322	0.4
365.12732	0.4
376.01474	0.4
445.20688	1.2
447.22327	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40353	0.3
59.01252	5.6
70.98206	0.7
71.01254	4.5
73.02822	1.3
83.01259	0.7
85.02829	1.5
87.00758	0.9
89.02322	3.5
91.38692	0.3
97.02850	0.4
101.02324	3.8
111.08037	0.5
113.02307	2.2
113.55331	0.3
117.04850	0.3
119.03384	1.1
119.24828	0.4
121.07510	0.3
161.04462	1.2
165.12750	6.3
179.05455	0.4
183.13829	100.0
184.14166	6.1
209.11784	2.0
227.12834	5.6
235.08228	2.9
253.09239	4.9
259.20605	0.4
277.21713	34.6
278.22058	2.8
419.23016	0.7
445.21066	1.6
463.21854	5.3
599.73010	0.4
723.43225	58.8
724.43561	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	723.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93010	1.6
54.16380	1.3
57.03323	5.0
59.01248	3.0
59.88744	1.7
61.98704	41.7
71.01244	4.7
71.49395	2.1
74.96683	1.5
80.96353	1.8
81.03349	1.7
81.20950	1.5
83.01260	3.5
83.04913	3.3
85.02785	1.7
95.04937	1.6
96.95895	6.0
101.02334	2.8
107.01241	1.9
123.00765	2.4
125.02345	53.6
137.02325	6.3
139.03874	1.8
155.10751	1.7
161.02357	16.5
161.04475	2.1
163.11212	4.0
165.12724	2.3
167.03403	6.5
169.01367	28.9
170.01680	1.7
171.10181	6.4
177.01831	5.7
201.11259	25.2
209.11771	100.0
210.12112	6.8
227.12851	14.8
232.17857	1.6
235.08304	2.4
253.09340	7.4
257.94598	1.7
269.04489	2.2
287.05582	4.5
305.06549	2.8
319.04495	2.6
355.24524	1.7
373.25946	57.9
407.94876	1.5
437.19592	1.5
445.20380	2.8
470.76529	1.8
475.75156	1.7
488.10562	1.6
488.43555	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	721.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
59.01248	9.9
71.01248	8.1
71.21561	1.2
73.02814	1.5
77.82041	0.6
78.95769	0.9
81.03318	1.5
83.01264	1.1
83.04887	2.5
85.02813	1.5
87.00750	1.5
89.02324	5.2
95.01266	1.8
95.04878	3.9
97.02820	4.0
101.02298	5.7
109.06466	8.6
110.03638	1.5
111.04423	1.2
113.02335	3.4
119.03407	1.3
121.06426	1.3
124.16519	0.7
125.02358	1.1
125.55454	0.6
135.08043	1.1
135.92343	0.7
151.11076	0.7
161.04414	2.3
161.09624	2.4
163.07487	0.8
163.11209	10.2
164.11505	0.8
179.05528	3.0
179.10658	2.3
181.12219	2.7
182.58725	0.7
189.09161	4.8
197.11771	1.1
207.10194	36.9
208.10512	2.0
209.11746	6.1
211.13329	5.5
225.11267	100.0
226.11607	6.2
227.12801	1.1
235.08218	4.7
253.09283	10.4
275.20135	3.0
277.21704	65.3
278.22125	4.7
282.24597	0.7
291.19595	3.0
293.21265	0.7
297.11295	0.8
356.93835	0.7
387.16574	0.7
443.19211	8.6
444.19470	1.1
461.20258	16.1
462.20511	2.2
589.03003	0.8
710.99927	0.8
721.41730	15.5
722.42206	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	722.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27565	0.2
57.03323	2.2
61.98705	100.0
62.98402	0.3
63.62761	0.2
71.01254	0.4
71.49386	0.3
79.95614	0.4
80.96397	1.4
81.46165	0.2
83.01260	0.6
83.84678	0.2
84.22913	0.2
94.97993	0.2
95.04942	0.3
96.95903	0.3
99.18037	0.2
101.02352	0.3
105.03382	0.8
107.75645	0.2
108.02132	0.2
109.02873	0.3
121.02842	0.2
125.02345	20.8
126.02715	0.6
137.02351	1.2
148.99040	0.2
149.02370	0.2
151.03909	0.2
160.19107	0.2
161.02362	9.2
162.02948	0.3
163.54076	0.2
164.98645	0.2
165.01854	0.4
169.01379	0.7
174.03041	0.3
175.03957	0.2
177.05559	0.7
179.03465	0.2
180.96861	0.2
191.03584	0.2
191.07153	0.3
198.97820	0.2
201.05496	0.5
209.11804	0.2
214.23344	0.2
225.00740	0.5
227.03439	0.3
243.06758	0.3
269.04538	0.9
287.05612	4.0
288.05853	0.3
294.09073	0.2
305.06693	1.2
323.05734	0.3
338.08078	0.3
341.10278	2.0
342.10641	0.4
353.10324	2.9
371.11349	3.0
371.24493	0.6
440.00027	0.2
497.21704	0.2
523.96130	0.2
659.18243	0.4
688.30212	0.2
721.31439	1.0
722.31171	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	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.2
58.00455	0.5
59.01245	6.5
69.03318	0.6
70.69543	1.0
70.69894	0.5
71.01255	5.1
71.04900	0.8
72.99185	0.5
73.02802	1.4
78.21738	0.4
81.03352	0.4
83.01260	0.8
83.04885	1.0
85.02814	1.8
87.00733	0.7
89.02298	3.1
90.42865	0.3
93.03350	0.5
95.01263	0.5
95.04906	1.1
95.64759	0.4
97.02834	0.8
97.06432	0.4
101.02323	3.5
109.06492	1.9
110.03572	0.4
111.08038	7.1
113.02335	2.1
113.05939	0.5
113.09610	0.4
119.03386	0.9
125.02325	1.6
137.09586	0.9
143.03369	0.5
145.04984	0.6
149.09613	0.7
151.11165	0.5
157.25424	0.4
161.04443	2.0
161.09668	0.4
163.11211	2.4
165.12762	0.4
167.10666	1.9
167.14284	0.9
169.01349	1.1
177.12750	1.5
179.05505	1.0
179.10698	2.1
181.12253	1.0
183.13826	6.9
189.09116	0.7
193.12236	2.0
195.13855	4.7
207.10182	9.3
208.10497	0.7
209.11777	1.1
211.13330	100.0
212.13670	7.6
225.11266	16.0
226.11615	1.1
235.08163	4.4
243.24899	0.4
247.20656	1.8
251.16521	1.6
253.09256	10.0
255.53667	0.4
273.18594	0.9
277.21701	15.0
278.22003	1.3
291.19653	85.4
292.20013	8.1
399.00259	0.4
443.19403	1.6
447.22247	5.5
448.22668	0.8
461.20065	2.3
467.31827	0.9
485.32718	1.0
509.27457	1.5
527.28479	5.1
528.28802	0.8
703.40540	0.9
721.41571	3.9
722.42468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82893	0.5
55.01735	0.6
57.03321	1.1
58.00466	0.7
59.01242	8.3
69.03334	0.9
69.28608	4.7
69.29015	1.2
71.01257	5.8
71.04898	1.2
73.02815	1.1
83.01273	0.7
83.04896	1.8
85.02813	1.1
87.00736	0.9
89.02303	3.9
93.14235	0.6
95.01234	0.9
95.04910	2.2
97.02843	1.5
97.06465	0.7
101.02321	5.0
104.89103	0.6
105.02337	0.5
105.69691	0.5
109.06482	4.0
110.03619	0.6
111.04345	0.6
111.08026	4.8
113.02326	2.3
119.03350	1.0
121.06474	0.7
125.02294	0.9
137.09630	0.8
145.04958	1.3
161.04463	2.2
163.11234	3.4
167.10658	1.3
169.12201	0.6
177.12724	1.5
179.05528	1.1
179.10681	2.5
181.12173	1.2
183.13831	6.3
189.09096	1.2
193.12186	1.5
195.13869	3.9
197.11700	0.6
207.08430	0.5
207.10181	12.3
208.10435	0.8
209.11804	1.0
211.13322	100.0
212.13640	6.4
225.11266	28.5
226.11623	2.0
233.12863	0.5
233.15265	0.6
235.08186	6.6
247.20621	1.3
251.16447	4.8
253.09241	11.5
263.20248	0.9
273.18594	1.3
277.21698	26.9
278.22061	2.3
291.19632	72.2
292.20013	7.2
331.91733	0.7
370.99478	0.6
443.19064	2.1
447.22351	4.6
448.22467	0.7
461.20306	4.3
462.20764	0.7
485.32980	1.1
509.27515	1.3
527.28632	4.6
528.28748	0.8
570.80817	0.5
598.65149	0.6
703.40314	0.9
721.41632	6.1
722.41833	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	721.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
59.01248	4.1
60.22341	0.6
61.98700	100.0
62.98400	1.3
63.99124	1.3
69.03334	0.6
71.01251	40.0
72.99199	1.1
73.02849	1.0
77.34162	0.6
79.95631	1.1
80.02526	1.1
80.96394	4.6
81.03331	1.2
83.04897	3.0
85.02837	2.2
87.00770	1.5
89.02319	3.0
94.17222	0.7
94.97967	1.3
95.04916	1.3
97.02827	2.0
99.00754	2.6
101.02325	2.3
109.06474	4.3
113.02325	1.3
116.92661	0.8
125.02334	2.4
125.09621	1.4
134.46761	0.6
135.08075	0.7
142.02621	1.0
145.04938	0.8
149.20386	0.6
163.11183	6.4
165.12711	1.5
169.01361	0.9
171.10164	7.1
176.34590	0.7
181.12241	3.0
183.13959	0.9
185.11780	2.1
191.10698	0.7
197.11824	1.4
199.13327	4.6
201.11227	4.3
207.10188	14.1
209.11758	43.3
210.12123	2.7
211.13437	3.0
215.12836	1.5
225.00743	1.8
225.11258	13.6
226.11583	0.9
227.12776	5.1
229.42628	0.6
235.08127	0.8
243.12402	1.8
253.09203	4.0
259.15375	0.7
417.23196	1.1
461.20389	3.1
671.32733	2.1
672.34039	1.0
689.33527	5.6
690.34161	1.1
721.34729	5.9
722.36151	1.0
745.22974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.2
56.08106	0.7
57.03316	2.6
59.01251	5.9
61.98698	44.6
62.79882	0.9
65.28619	0.8
68.49126	1.1
71.01254	7.8
71.04875	3.6
72.99173	0.8
73.02823	1.4
77.38222	0.7
78.98440	1.4
79.95627	4.3
80.02528	1.3
80.96390	21.2
81.03316	1.3
83.04879	3.6
85.02818	1.3
87.00736	1.6
89.02325	3.1
93.03313	0.9
94.97955	4.3
95.04886	1.7
96.95882	3.1
97.02840	3.9
97.06457	3.0
99.00754	18.6
101.02311	5.1
109.06454	1.7
113.02308	2.0
119.03357	0.9
123.08009	1.0
125.02322	8.8
125.05963	1.0
125.09601	7.7
127.11105	0.9
134.97475	1.3
135.08076	1.6
142.02586	1.2
148.99043	2.0
151.02834	0.8
152.98489	2.3
153.12695	1.1
155.14290	1.2
161.02348	2.0
161.04462	2.0
161.09567	0.9
163.11201	12.9
164.11435	0.8
164.98511	4.6
165.12758	1.7
169.01349	3.8
171.10155	14.1
172.10526	0.9
177.01802	1.1
181.12270	18.3
182.12560	1.0
191.10634	0.9
197.11723	2.4
199.13324	9.2
206.99632	0.9
207.10191	23.4
207.12172	1.1
208.10498	1.9
209.11766	53.5
210.12077	3.1
225.00711	8.7
225.11258	38.1
226.11635	1.5
227.12898	3.7
235.08095	1.0
243.09834	1.3
243.12335	20.3
253.09201	2.9
273.16962	1.2
301.61649	0.7
337.56528	0.8
371.24387	5.5
407.19101	1.3
461.20230	3.1
479.21335	7.4
493.17029	1.2
602.58447	0.9
671.32367	3.8
689.33838	100.0
690.25439	0.6
690.34125	17.2
721.30621	26.2
722.31171	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	721.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30466	0.5
57.03309	0.7
59.01240	1.1
61.98700	31.6
63.96100	1.8
63.99133	0.7
65.11071	0.6
65.47006	0.5
69.03327	0.6
70.40387	1.2
70.40780	1.3
71.01247	9.9
72.99189	0.7
73.02816	1.6
78.95756	0.7
78.98455	6.7
79.95602	13.5
80.96389	73.0
81.03326	1.1
85.02811	3.4
87.00750	3.0
94.97958	17.6
96.95947	1.5
97.02826	2.0
99.00706	0.7
101.02311	2.7
106.97979	3.4
113.02324	0.8
122.97457	4.7
125.02324	3.5
127.03918	0.8
134.97481	5.2
136.99026	1.6
145.02832	0.8
148.99055	6.6
152.98543	6.8
161.04384	0.7
164.98532	13.2
171.10037	0.7
182.09427	0.7
183.13808	1.1
197.11726	1.5
199.13269	0.6
206.99568	4.0
209.11771	4.7
209.87529	0.6
210.12135	0.7
211.13358	5.2
215.12801	1.0
220.89958	0.6
225.00693	25.5
226.00905	1.1
227.12796	1.3
245.01746	0.6
255.02930	1.0
256.03284	0.7
271.02460	3.3
272.02808	1.7
283.04944	1.1
300.02780	5.3
301.03079	2.7
302.04004	0.6
445.40497	0.6
489.10199	0.9
493.17303	2.0
509.16928	2.1
531.11389	0.9
636.14081	2.4
689.33295	0.9
703.35541	0.8
721.31042	100.0
722.31354	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	720.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01480	0.1
61.98703	100.0
62.98384	0.2
70.23537	0.5
70.23956	0.2
71.96494	0.1
76.20787	0.1
80.58057	0.1
80.96374	0.1
98.24522	0.1
204.04510	0.1
209.11832	0.3
211.13408	0.5
212.13696	0.2
297.17963	0.1
315.98975	0.1
367.83334	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	720.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	0.2
61.98700	100.0
71.01270	0.3
71.49250	0.2
78.95800	0.1
79.95582	0.3
80.96377	1.0
85.92438	0.1
87.00748	0.2
89.02319	0.1
94.97973	0.1
96.95900	0.2
120.19823	0.1
125.02365	0.6
164.98592	0.2
169.01387	0.3
171.10179	0.3
175.02477	0.1
185.11732	0.2
197.11821	0.2
199.13416	0.3
209.11772	1.2
210.12192	0.2
211.13457	0.3
225.00850	0.2
227.12984	0.3
253.09306	0.1
273.17276	0.1
274.17419	0.1
365.93817	0.1
482.94730	0.1
689.34729	0.2
720.29309	1.1
721.32043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22952	0.3
55.01767	0.4
57.03322	0.5
59.01250	3.4
61.98703	37.7
71.01250	3.1
71.48578	0.4
72.99191	0.3
73.02826	0.8
75.00745	0.3
80.02558	1.2
81.03326	1.7
83.01268	2.5
83.04905	4.5
84.02035	1.7
84.05279	0.3
85.02842	0.8
87.00747	0.7
89.02318	2.1
93.03336	0.3
95.01271	0.5
95.04890	0.7
97.02837	0.5
97.06468	0.5
101.02330	3.2
109.06496	0.4
111.00764	0.3
113.02325	1.6
116.10496	0.3
119.03424	0.7
119.30974	0.3
124.01525	0.3
125.02337	1.2
125.06026	0.5
125.09604	2.9
127.11169	0.7
130.05278	0.3
135.08086	1.2
142.26971	0.3
147.11758	0.5
156.84978	0.3
161.04463	1.6
163.11194	3.9
164.11562	0.4
165.05511	0.3
165.12738	2.7
166.59056	0.3
169.01324	0.8
171.10193	2.5
179.05653	0.3
181.12247	0.9
185.11766	0.4
191.10724	2.3
197.11786	0.2
209.11774	100.0
210.12117	6.4
211.13367	0.7
223.13371	0.8
226.12096	0.9
227.12840	11.7
228.13184	0.8
233.75345	0.3
235.08182	3.1
239.12921	0.3
241.14401	1.0
243.16040	0.8
253.09265	12.1
254.09557	0.8
259.84250	0.3
271.02371	0.3
273.17072	85.5
274.17438	5.6
274.20145	0.2
281.04413	0.3
291.51080	0.3
323.01657	0.4
445.20737	1.5
465.28497	2.3
483.29669	0.5
509.26138	1.5
687.32611	0.8
719.34241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00821	0.5
55.28388	0.5
56.97301	0.6
59.01248	15.3
61.98698	62.1
64.38060	0.6
65.00195	0.5
66.84676	0.5
69.03350	1.2
71.01250	4.2
71.49304	1.0
72.99232	0.6
73.73264	0.6
75.00756	1.1
83.01276	1.3
83.04938	1.2
84.02058	0.6
85.02832	2.0
87.00736	1.3
89.02320	2.8
97.02831	1.0
99.00793	1.0
101.02316	4.2
104.12001	0.7
113.02325	2.7
117.03362	2.0
125.09578	0.7
145.02866	4.6
145.04845	0.6
149.78246	0.6
153.09084	0.7
153.12753	0.8
161.04402	1.7
163.11108	1.1
169.12253	5.2
171.10188	0.8
179.10725	1.2
183.13866	6.7
185.11768	1.1
193.12273	1.8
197.11757	94.4
198.12114	6.0
199.13364	3.8
207.10136	3.4
209.11778	3.7
210.12090	0.7
211.13327	100.0
212.13658	6.7
227.03374	3.3
227.12822	8.2
235.08228	4.2
239.12773	5.8
253.09261	8.3
254.09392	0.8
255.02940	6.9
256.03467	1.1
273.17053	15.9
274.17291	1.3
283.02353	1.1
284.03223	9.0
285.03854	1.9
307.02045	0.9
341.42371	0.6
404.85797	0.6
415.19394	1.4
429.21121	1.9
433.20807	10.2
434.21030	1.0
443.18387	0.6
447.22409	6.5
448.22333	0.7
463.21564	1.4
492.30551	0.6
506.50049	0.7
526.35529	0.6
609.32538	3.3
627.33643	2.2
628.34076	1.0
655.33472	0.9
657.34393	1.3
661.15405	4.6
662.15790	2.1
683.13562	2.8
687.36041	1.7
688.36353	0.9
719.40088	3.3
720.40149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03328	0.8
59.01252	6.4
61.98701	78.0
62.98407	0.6
69.03321	3.9
70.09034	0.6
71.01250	6.6
71.04883	3.2
73.02818	1.2
78.98460	0.7
79.95591	1.0
80.02572	0.9
80.96388	4.9
81.03331	1.3
83.01260	0.8
83.04894	5.5
84.02044	1.5
85.02811	1.2
85.84433	0.6
87.00759	1.2
89.02308	3.5
94.24515	0.8
94.97958	1.0
95.01207	0.8
96.95882	0.9
97.02821	0.9
97.06467	1.1
98.20586	1.4
99.00773	0.9
101.02329	4.3
113.02309	3.2
123.08058	1.4
125.02323	1.8
125.09585	2.4
135.08075	0.8
143.03448	0.8
149.09641	0.8
151.11220	2.2
153.12773	1.9
161.04457	1.8
161.09575	4.2
163.11232	4.4
164.98466	0.7
165.12714	2.4
169.01286	1.8
171.10147	1.0
177.08977	0.7
179.10678	7.9
185.11635	0.7
191.10847	0.9
197.11765	73.3
198.12131	4.3
199.13319	0.9
209.11772	64.8
210.12202	4.3
212.99135	0.6
223.09807	1.3
225.00658	1.3
225.11304	1.0
227.12810	5.7
241.10765	4.0
253.09267	4.5
273.17038	2.2
330.28442	0.8
456.45645	0.7
459.18576	0.7
477.19690	1.8
687.32281	100.0
688.32617	18.9
719.35632	21.2
720.36072	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	718.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.3
61.98702	100.0
70.89566	0.1
71.01264	0.3
71.29146	0.3
75.00754	0.2
79.95602	0.5
80.96407	0.6
85.02830	0.2
87.00750	0.2
89.02324	0.2
94.37901	0.1
96.95924	0.3
125.02357	0.4
140.37657	0.1
151.80681	0.1
159.42610	0.1
161.04512	0.1
164.98534	0.1
169.01337	0.2
171.10207	1.4
172.10463	0.3
183.13863	0.2
185.11710	0.2
209.11786	1.4
210.12112	0.2
211.13359	1.3
212.13730	0.2
227.12889	0.5
253.09271	0.3
254.09845	0.2
256.58826	0.1
273.16995	0.7
300.02576	0.2
307.63116	0.1
327.21762	0.4
328.22116	0.4
447.23325	0.2
572.20264	0.1
637.32385	0.2
687.32794	0.2
719.29163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.7
57.03321	3.3
57.48563	2.1
58.00475	2.5
59.01255	22.8
68.34019	1.8
69.89967	1.9
71.01256	17.2
71.10088	2.4
71.49447	3.0
71.90444	1.9
72.99157	3.3
73.02821	4.7
83.01241	5.0
85.02815	8.4
89.02310	8.6
93.03345	4.1
101.02338	13.3
108.02055	2.4
109.02811	4.0
113.02332	4.6
119.03371	3.7
121.02848	17.3
122.03642	22.2
123.04414	2.3
124.01594	1.9
125.02341	8.8
128.03406	4.2
129.03360	2.7
132.02055	3.1
133.02893	10.5
134.03639	7.0
135.04424	2.8
137.02345	4.1
143.04538	2.5
145.02815	4.1
145.49551	2.2
147.04456	5.1
149.02335	28.1
149.05978	10.8
150.03131	100.0
150.04344	5.0
151.03589	4.7
161.02400	2.0
161.05937	4.6
163.80537	1.9
164.04665	7.9
165.05475	90.1
166.05867	4.0
167.03450	4.2
169.01329	6.5
174.61934	1.9
177.01843	4.1
179.07040	5.1
180.04149	6.9
195.06577	24.4
205.71619	1.9
209.11772	3.4
269.96375	2.0
283.12564	2.2
290.19894	2.0
344.77039	2.2
346.14114	7.7
347.14844	6.5
361.16516	29.7
362.16983	3.5
509.21759	23.9
523.21832	44.6
524.22198	6.5
572.37830	2.2
671.27136	98.2
672.27563	21.3
719.29413	12.1
720.29572	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	717.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.5
61.98703	33.7
70.78597	3.2
71.01260	3.6
83.04891	4.1
89.02349	2.8
93.68121	1.4
95.04903	1.8
101.02283	1.7
113.02352	2.1
134.99219	1.5
163.11223	3.4
165.12772	3.5
171.10242	1.4
183.13857	4.8
196.73590	1.4
209.11763	100.0
210.12143	8.2
211.13339	89.0
212.13675	5.3
227.12898	16.5
235.08128	3.8
253.09282	10.6
271.15256	1.7
417.18365	1.6
445.20755	3.0
447.22433	5.8
685.35339	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	718.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38261	0.1
57.03363	0.1
57.41835	0.1
59.01241	0.2
61.98699	100.0
62.98429	0.1
62.99118	0.1
67.47577	0.1
68.13177	0.1
70.60515	0.4
71.01260	0.3
80.96419	0.1
82.45058	0.1
82.95292	0.1
83.01225	0.1
83.04897	0.2
85.02846	0.2
89.02284	0.1
101.02323	0.2
113.02299	0.2
117.03376	0.1
124.47377	0.1
125.02315	0.3
125.09605	0.1
145.02866	0.2
163.11206	0.2
165.12720	0.1
169.01349	0.2
169.12222	0.1
170.01871	0.1
171.10179	0.3
191.10559	0.1
197.11861	0.1
209.11765	5.6
210.12144	0.2
211.13344	0.6
212.13792	0.2
225.11455	0.1
227.12814	0.7
235.08295	0.2
244.75311	0.1
253.09180	0.7
273.17065	4.4
301.03299	0.1
658.12396	0.2
687.32373	0.2
719.35919	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	716.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38171	0.1
59.01239	0.1
61.98700	100.0
62.98404	0.1
62.99126	0.1
71.01260	0.1
73.39201	0.1
91.16947	0.1
92.25267	0.1
98.19796	0.2
101.02323	0.1
111.89442	0.1
211.31213	0.1
216.93048	0.1
229.75227	0.1
231.75339	0.1
246.64792	0.1
255.23300	0.2
256.23755	0.2
398.14017	0.1
399.14194	0.2
400.14417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57370	0.1
59.01251	0.2
61.98701	100.0
62.98393	0.2
71.01263	0.2
91.24659	0.1
97.02862	0.1
98.19773	0.2
101.02360	0.1
125.02361	0.1
133.03433	0.1
133.62842	0.1
140.42181	0.1
155.54144	0.1
184.28284	0.1
225.88573	0.1
229.55138	0.1
255.23262	0.1
256.23706	0.2
306.91785	0.1
353.53030	0.1
388.10660	0.1
398.14157	0.1
399.14313	0.1
400.14758	0.2
447.62335	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	716.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
63.81870	0.6
69.02656	0.7
75.00750	0.9
88.98689	0.6
96.95882	1.4
99.26644	0.5
107.01290	0.6
120.01144	100.0
120.20196	0.6
121.01516	1.3
125.02343	2.5
125.95690	0.6
151.00281	0.9
167.03403	1.0
169.01375	2.5
177.01779	0.6
220.09767	0.6
221.10155	0.6
241.05296	1.1
338.20444	0.7
393.66174	0.6
528.55621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.9
61.98703	100.0
62.98399	0.2
70.27249	0.2
71.49347	0.2
72.99191	0.2
75.00736	1.5
83.89169	0.2
95.02328	0.2
107.30716	0.1
160.35562	0.2
171.10226	0.2
175.64848	0.2
209.11803	0.3
211.13281	1.2
212.13712	0.4
214.43344	0.2
223.13429	0.3
297.11368	0.2
382.56192	0.2
606.85278	0.2
716.14478	0.2
716.38123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.5
61.98701	100.0
62.98402	0.2
70.26100	0.5
71.01282	0.2
72.99192	0.2
75.00743	1.8
84.84660	0.1
86.27984	0.1
88.12265	0.1
101.02361	0.1
103.94747	0.1
171.10211	0.3
181.68465	0.1
209.11742	0.3
211.13327	0.8
212.13676	0.4
213.13884	0.1
223.13376	0.3
224.13710	0.3
225.13875	0.2
239.16437	0.1
278.53778	0.1
297.11386	0.1
335.89355	0.1
543.17877	0.1
684.88208	0.1
716.38861	0.2
717.38885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.0
61.98697	1.1
65.33930	0.6
71.01225	0.6
71.49155	0.6
71.49530	0.8
75.00746	1.0
75.02631	0.5
89.02290	0.6
96.83348	0.5
119.73062	0.6
120.01135	100.0
121.01488	1.1
125.02340	3.1
145.75108	0.6
161.02307	0.8
169.01340	2.1
220.09749	0.8
437.30798	0.6
448.45721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.6
59.01254	6.2
69.03314	1.5
69.27718	1.3
69.28119	6.7
71.01252	10.3
72.99171	3.1
73.02801	1.2
75.00747	10.8
76.27850	0.8
83.01238	0.8
83.04890	2.3
84.02055	0.7
85.02818	11.0
86.61414	0.7
87.00732	3.5
89.02316	2.0
95.01261	2.5
99.00749	4.0
101.02310	1.0
103.00233	1.0
106.95500	0.7
113.02322	10.8
115.00286	1.4
120.16319	0.7
126.98047	0.7
129.01790	1.0
153.12791	1.1
155.37943	0.7
160.68971	0.7
163.11128	1.7
175.02411	2.0
179.10674	2.4
197.11754	12.9
209.11766	26.4
210.12076	1.4
227.12854	7.0
253.09186	1.1
255.23253	42.7
256.23630	3.3
477.19452	2.0
697.41290	1.3
715.42706	100.0
716.43024	19.7
747.97687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70849	1.0
59.01247	2.1
61.98694	3.3
63.47331	1.0
65.00183	1.4
71.48657	1.2
75.00766	1.3
75.77509	0.9
96.95885	1.8
107.01276	2.9
109.02860	1.5
117.03352	38.3
118.03661	1.2
125.02374	1.9
137.02338	2.8
145.02852	100.0
146.03203	4.2
151.00273	15.1
163.00356	1.7
164.01093	1.6
169.01398	2.2
171.10184	3.4
178.99776	4.7
192.00555	1.8
193.01419	1.4
204.35576	1.1
209.11787	11.2
210.12181	2.0
211.13351	4.1
225.11234	1.5
227.12834	2.2
242.02087	1.5
243.02982	1.1
249.14952	3.4
250.15364	1.3
253.09267	1.7
259.02420	1.8
271.02402	7.6
272.03256	1.6
287.01938	8.8
309.00308	2.5
315.01483	4.6
316.02240	23.6
317.02844	7.2
331.03784	1.0
338.00369	6.9
339.01193	58.7
340.01486	4.7
371.00095	1.4
445.07797	7.6
485.07138	13.2
486.06613	1.5
487.08588	1.6
527.00940	1.3
527.08099	8.2
528.08258	2.3
529.06042	6.3
569.09174	9.6
631.10608	4.4
673.11646	18.9
674.12018	4.2
712.65753	1.4
715.12512	11.9
716.12799	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	714.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13647	1.1
58.40266	1.3
58.51190	1.2
59.01239	3.0
61.53138	1.0
61.98703	18.4
70.36106	2.1
96.95901	3.0
119.04910	2.0
124.01535	3.0
125.02304	3.4
128.94919	1.1
145.02846	4.1
151.00330	3.6
163.03938	2.0
169.01283	3.3
178.99786	5.6
185.11720	1.6
209.11748	4.6
211.13383	1.5
214.02629	6.3
216.04221	1.5
231.02953	1.7
242.02211	5.5
243.02966	4.5
244.03452	2.0
249.14853	2.5
259.02524	8.0
270.01715	7.1
271.02475	43.0
272.02786	4.2
287.01984	31.3
288.02451	3.9
315.01294	7.5
316.02219	100.0
317.02652	11.8
380.52859	1.4
505.09900	11.4
624.34106	1.7
651.13586	95.2
652.13953	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	714.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92665	1.0
53.67270	1.1
59.50877	1.2
61.98700	9.1
65.00180	1.1
89.07335	1.1
89.81078	1.4
95.04904	1.3
96.95878	2.1
98.19748	2.5
101.06566	1.2
107.01283	2.3
114.92796	1.1
124.01490	1.5
125.02318	4.7
137.80055	1.1
151.00226	3.4
161.02319	1.4
164.01089	2.3
169.01286	2.9
178.99770	6.7
203.03415	1.9
209.11751	3.2
214.02568	5.8
242.02176	5.0
243.02885	5.1
259.02463	5.6
270.01672	8.1
271.02438	39.7
272.02792	3.4
287.01944	22.2
288.02469	3.3
300.74008	1.2
316.02216	100.0
317.02771	14.7
505.09811	19.1
506.10464	1.7
651.13531	78.5
652.13910	15.8
692.13080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46592	0.7
55.08107	0.7
57.03318	1.1
59.00964	0.8
59.01249	17.1
61.98702	26.8
69.03321	2.0
71.01247	3.8
71.48758	1.4
71.49158	0.8
81.03942	0.8
85.02843	0.9
87.00768	1.0
89.02318	2.5
97.24339	0.7
101.02336	2.7
113.02350	1.5
116.92702	1.8
119.03403	0.9
131.03510	0.7
161.04488	1.5
167.10680	2.2
167.14285	1.0
179.14340	2.0
183.13852	7.3
193.04996	1.3
193.12263	2.3
195.13838	7.1
201.11269	1.2
205.12241	7.6
211.13336	100.0
212.13670	5.4
223.13338	74.1
224.13687	4.4
235.08104	4.3
253.09283	6.8
279.26996	0.7
297.11252	1.4
392.44684	0.8
397.13358	2.6
399.25122	0.9
429.21249	0.8
441.21265	2.0
447.22363	6.8
459.22311	10.2
612.29279	0.8
635.33868	1.7
653.35071	3.0
705.79510	0.8
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
68.40794	0.7
70.78526	1.8
79.95610	1.3
96.95889	38.9
107.01241	0.7
125.02332	0.8
137.02339	1.5
146.58096	0.6
151.00252	1.8
171.71539	0.6
178.99782	1.8
191.05505	1.8
255.02855	0.8
271.02408	1.5
300.02707	4.0
301.03528	1.4
308.90869	0.7
317.02975	5.9
318.03217	1.0
397.42758	0.6
430.57950	0.6
447.09439	1.3
593.12994	3.3
615.09906	3.4
615.18903	0.6
616.09674	0.8
677.49597	4.2
678.49957	1.1
707.20416	0.7
713.47357	100.0
714.47620	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	711.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18517	3.7
59.01242	13.2
61.98699	48.8
70.64207	10.8
71.01253	7.0
86.06258	4.2
88.98692	5.8
100.08832	4.3
101.02283	5.1
116.60880	3.9
122.47719	4.1
125.02346	11.8
140.78720	3.7
147.26854	4.2
148.89833	3.8
151.00224	7.8
169.01331	12.0
178.99699	7.1
197.11732	29.8
199.13242	4.3
209.11746	36.4
211.13332	39.5
212.13797	5.9
227.12788	20.8
235.68745	4.1
243.02817	11.0
253.09343	5.2
255.03036	19.9
271.02502	43.6
272.03000	8.6
299.01877	8.3
300.02750	100.0
301.03152	11.5
304.40170	4.4
310.85071	5.7
316.01855	5.8
445.20416	4.9
531.10980	11.8
649.15717	5.3
650.84277	5.8
693.14752	8.4
711.33289	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.9
61.98701	100.0
71.49587	0.2
82.14371	0.2
88.98682	0.3
96.95898	0.3
125.02402	0.6
145.91875	0.2
167.03499	0.3
169.01349	0.7
185.11751	0.3
209.11812	0.6
211.13411	0.3
243.02982	0.2
271.02551	1.2
272.03217	0.3
283.43851	0.3
283.46817	0.2
287.01932	0.5
299.02029	0.4
300.02573	0.5
301.03387	0.4
315.01678	0.2
316.02335	1.9
317.02917	0.3
374.68213	0.2
387.53583	0.3
487.34811	0.6
488.34619	1.4
489.35046	1.8
490.35001	2.3
550.94775	0.3
647.16193	0.2
713.20587	1.8
713.31763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2605
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
57.03311	0.8
59.01262	1.7
61.98704	1.4
70.19590	0.7
70.77306	1.8
71.01257	1.7
87.00800	0.8
88.54884	0.8
89.02350	1.1
89.03840	1.2
101.02363	1.1
105.03347	1.0
108.21009	0.7
109.02847	1.1
117.03340	7.0
119.04922	3.7
121.02825	2.0
122.03636	1.2
127.11168	1.0
130.91357	0.8
132.02065	7.0
133.02863	12.8
134.03636	73.5
135.04439	30.4
136.04747	1.0
137.02330	6.8
139.03914	2.4
145.02882	4.7
147.04417	3.0
148.05170	2.3
149.06010	6.1
150.03229	1.1
160.01570	23.3
161.02365	16.4
162.02736	1.2
169.01213	0.7
171.06801	0.8
171.10170	3.7
175.03920	19.5
176.04233	1.4
178.02632	6.6
179.03404	15.3
185.11766	6.8
191.03316	0.8
193.04994	28.4
194.05275	1.0
197.11755	1.7
201.11269	12.4
207.06552	3.9
209.11758	2.2
211.13345	3.4
229.14600	0.7
237.15204	0.8
253.09174	3.8
293.21124	4.0
306.19193	0.8
309.20810	1.9
327.21667	3.9
329.23282	3.8
369.13348	1.6
383.14993	2.2
459.44891	0.9
465.16977	0.7
475.74500	0.8
505.18820	2.0
519.20197	2.2
537.21246	3.3
538.21332	1.0
601.10089	0.8
698.24152	1.3
713.26013	100.0
714.13898	1.5
714.26294	26.7
714.38495	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	711.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.4
61.45313	0.6
61.98686	1.1
70.86953	0.7
70.87289	1.5
86.15346	0.7
93.03359	1.1
101.98753	0.7
107.01303	1.6
113.42080	0.6
121.02823	3.5
124.01580	3.5
135.00768	1.1
136.01505	0.7
151.00291	3.6
152.01004	1.6
163.00269	1.3
164.01051	2.5
178.99805	5.6
187.03949	0.7
199.03941	0.9
203.03438	2.4
213.01945	0.8
214.02629	8.1
215.03265	1.6
227.34160	0.7
231.02966	1.0
232.03676	0.8
242.02209	5.7
243.02907	6.3
244.03476	0.7
259.02466	10.8
260.02802	1.3
270.01645	7.6
271.02463	54.7
272.02777	3.9
287.01968	32.6
288.02563	5.0
291.79404	0.7
300.02811	1.9
315.01480	3.9
316.02219	100.0
317.02567	9.5
323.61462	0.9
503.54858	0.9
547.10889	19.9
548.11304	2.6
589.11993	5.9
693.14600	27.9
694.14453	6.4
711.15729	16.8
712.15552	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	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30173	0.7
57.03309	2.3
59.01244	6.4
69.03296	0.8
71.01245	5.1
71.49896	1.6
73.02807	1.5
78.88663	0.7
78.95749	1.0
80.96384	3.3
83.01258	0.8
83.04903	1.6
84.33095	0.8
85.02811	2.0
87.00757	1.6
89.02304	3.3
95.04894	1.7
97.06455	6.3
101.02304	4.2
113.02321	2.0
145.04916	1.0
151.10054	1.4
151.11186	15.7
152.11530	1.0
152.99454	1.5
161.04425	1.2
169.12245	50.4
170.12544	2.5
195.10144	3.0
201.11275	1.1
209.11697	1.9
211.13536	1.1
213.11263	8.9
225.00694	1.4
235.08151	2.0
253.09262	3.5
277.21701	64.2
278.22052	7.1
346.49426	0.9
431.19131	3.0
449.20370	3.3
473.18094	1.6
494.56192	0.8
612.70996	0.9
709.41571	100.0
710.41901	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01245	31.7
60.01587	0.5
61.98703	0.5
71.01246	1.2
71.50258	0.3
89.02320	0.9
101.02316	1.5
107.01253	0.3
113.02331	0.9
119.03374	0.8
125.02328	5.4
126.02645	0.6
137.02336	0.5
149.02377	0.2
151.03888	0.2
158.57814	0.2
161.02371	0.3
161.04478	0.5
167.03427	0.7
169.01337	4.1
170.01688	0.6
171.10204	0.6
177.01776	0.6
185.11719	0.6
186.12140	0.3
191.03523	0.3
191.05403	0.3
197.11856	0.3
209.11813	1.2
210.12077	0.5
211.13371	0.4
227.12859	0.4
253.09161	0.3
271.02460	0.4
300.02756	0.7
305.06763	0.5
320.04727	0.3
409.31094	0.9
487.34235	100.0
488.34583	17.6
529.35626	1.2
637.31641	0.2
649.39380	1.0
677.33032	0.5
709.42664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02396	0.6
55.01746	0.7
57.03312	1.7
57.48610	0.6
59.01247	5.6
69.03339	0.8
71.01244	6.2
71.21609	1.0
73.02819	1.3
78.95781	2.1
80.96390	2.5
83.04861	0.9
85.02804	2.5
89.02303	4.5
97.06455	4.3
101.02340	5.2
109.01630	0.8
113.02318	2.1
119.03343	0.8
119.13776	0.7
121.72680	0.7
133.04935	0.7
151.11168	13.9
152.11481	1.1
152.99490	3.2
155.91928	0.6
161.04378	1.7
169.12248	100.0
170.12558	5.8
195.10234	1.6
201.11218	2.1
201.29860	0.7
209.11803	3.3
211.13304	1.7
213.11244	12.0
235.08214	1.4
253.09315	4.4
277.21692	27.4
278.22061	2.8
297.11450	0.8
307.30811	0.8
336.49164	0.7
351.92288	0.9
431.19202	2.5
449.20392	8.1
473.18015	2.8
525.09418	0.8
621.40283	0.7
691.38422	0.7
709.41522	97.9
710.41827	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	709.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79627	2.3
59.01246	9.8
61.98689	3.3
67.24606	2.2
71.01250	6.8
89.02313	4.7
95.94866	2.4
98.19762	5.8
101.02330	5.3
109.06482	4.0
113.02323	3.1
116.12942	2.7
122.85841	2.5
141.29211	2.3
165.99199	2.4
171.10146	5.7
183.13782	8.6
197.11736	3.2
199.09665	22.8
207.10081	13.6
209.11868	3.8
211.13324	100.0
212.13647	3.5
214.14748	2.8
225.11232	6.5
235.08109	5.4
253.09245	9.1
375.21487	3.6
377.14273	2.5
435.18832	3.7
447.22235	4.8
461.20361	3.3
485.69113	2.7
593.29724	3.7
611.30194	2.6
637.32086	3.8
655.33203	4.6
709.35620	8.5
727.25342	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	709.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44555	4.9
59.01244	19.2
61.80280	4.6
61.98685	24.0
71.01242	18.6
71.48559	7.7
74.67349	5.2
79.01757	15.4
89.02316	7.4
109.06476	5.9
149.05994	11.7
167.07005	7.5
171.10075	7.0
172.81772	5.4
174.34187	5.0
183.13855	50.0
193.04951	21.4
197.11801	12.5
199.09735	29.0
199.12975	5.4
207.10152	9.4
209.11691	27.2
211.11359	5.5
211.13324	100.0
212.13704	7.8
214.32976	4.9
225.11299	9.6
227.12814	13.7
235.08177	16.0
253.09196	13.0
253.37639	5.1
255.10162	9.3
293.21326	8.0
297.11261	57.0
298.11612	12.2
346.10388	5.7
375.21579	10.4
411.06818	12.4
463.22015	5.8
503.13812	4.8
560.35938	5.4
611.30743	10.3
619.20807	6.1
629.31323	7.0
637.32153	13.1
644.57751	5.7
649.15051	12.8
655.33582	9.0
665.62909	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50843	1.1
59.01258	7.6
61.22411	1.3
61.98703	14.2
71.01244	12.4
71.48621	1.6
73.02811	1.4
74.07838	1.1
75.00742	5.0
79.95576	1.2
80.96395	1.4
82.28704	1.1
83.04880	2.9
85.02829	1.6
87.00760	1.4
88.98705	2.8
89.02324	5.2
96.95898	1.9
97.02836	3.4
99.00773	2.1
101.02308	8.2
103.99662	1.2
109.06480	14.5
113.02330	4.2
114.36012	1.3
125.02341	2.9
135.08020	2.0
145.02858	2.1
145.04968	1.3
147.73016	1.1
151.00320	1.9
161.04506	2.8
163.11201	8.8
164.72801	1.2
169.01364	2.7
171.10182	1.9
177.01860	1.2
181.12241	2.5
183.13831	19.4
184.14156	1.5
185.11829	2.0
197.11809	1.6
199.13237	1.9
207.10201	42.4
208.10585	2.0
209.11784	10.6
211.13335	100.0
212.13705	6.4
215.03496	1.6
225.11272	25.4
227.12830	5.0
233.11894	1.5
235.08162	4.9
243.02786	2.1
253.06883	2.0
253.09166	9.5
271.02448	5.4
287.01895	3.0
288.02634	2.0
293.21207	3.6
300.02707	3.5
316.01877	2.3
373.18930	1.3
373.23798	3.9
383.21960	3.1
391.24796	4.3
392.25821	1.5
401.23569	6.2
419.24384	4.0
443.18988	2.8
447.22354	2.1
461.20123	8.8
463.21320	1.8
483.62662	1.3
563.13214	1.8
629.31323	2.0
637.32385	8.1
638.32233	2.1
655.33160	15.2
656.33954	4.7
709.14539	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	709.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92414	0.5
59.59986	0.4
60.48419	0.5
61.98702	5.7
63.02265	1.0
63.99083	0.5
65.00210	1.3
71.49163	0.8
83.01260	0.8
86.78091	0.5
93.03338	1.0
107.01272	2.8
108.02064	1.8
109.06473	0.7
111.00839	0.5
111.64483	0.5
123.00792	0.6
124.01543	1.1
125.02336	0.5
131.04974	0.6
133.02834	1.2
135.00772	1.6
137.02402	0.7
139.00224	0.8
143.04915	1.4
145.02818	1.4
147.00822	0.6
148.01563	1.5
151.00259	8.9
152.00983	0.9
155.04933	1.2
157.02834	1.3
159.04405	1.2
161.02322	0.8
163.00273	1.4
164.01080	1.5
165.98993	1.1
166.10147	0.5
169.01271	0.6
171.04454	2.0
173.02292	0.8
175.03935	1.1
176.01053	1.1
178.99817	3.5
182.03586	0.6
183.04402	1.8
185.02364	1.0
186.03128	0.7
187.03928	2.0
189.01849	0.9
198.03157	0.7
199.03925	7.9
200.04375	0.6
201.01883	1.7
202.02654	0.9
203.03436	2.0
207.10196	0.7
209.11961	0.6
211.03874	2.0
211.13374	2.7
213.01758	0.7
214.02638	1.8
215.03410	4.3
216.03789	0.6
225.11194	1.0
226.02681	2.4
227.03450	10.3
228.03986	1.1
229.01357	0.6
229.04997	0.5
229.58778	0.5
230.02126	0.6
231.02966	0.8
232.03796	0.7
239.03461	1.2
240.04195	0.9
241.01445	1.4
242.02147	2.9
243.02974	19.0
244.03334	1.6
245.00862	1.0
247.38734	0.5
254.02118	2.7
255.02969	31.2
256.03497	3.4
259.02539	1.9
267.02954	1.3
268.03619	0.7
269.04709	0.7
270.01675	2.5
271.02472	88.6
272.02853	8.4
281.04459	1.1
283.02542	1.3
284.03250	5.0
285.03976	1.7
286.01236	1.2
287.01907	7.4
288.02655	3.3
297.03955	0.9
299.01965	58.8
300.02719	100.0
301.03125	8.4
303.01306	0.5
303.06598	0.8
311.01996	3.9
312.02686	2.7
313.00226	0.9
313.03549	9.0
314.04016	0.7
315.01495	4.4
316.02191	15.8
317.02603	1.4
332.01740	6.4
339.01550	5.4
340.01993	1.1
341.02917	4.9
342.03223	0.5
345.07663	5.1
373.07178	8.5
374.07779	3.1
389.06555	0.8
402.07623	2.3
402.12122	0.6
403.08191	2.5
418.06845	1.3
419.07681	5.9
420.07861	0.8
446.06393	9.8
447.07175	32.0
448.07565	3.4
489.08920	0.9
530.10602	5.0
531.11395	39.5
532.11725	5.9
547.10822	4.8
548.10931	0.6
563.10352	2.2
570.10162	1.0
575.11987	0.7
617.12762	2.8
635.14020	1.1
649.15521	6.2
650.15601	1.2
677.15076	43.6
678.15375	8.6
691.13043	1.4
709.14301	6.2
710.14154	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44161	0.3
61.98711	0.7
65.00204	0.6
65.33425	0.3
69.75861	2.0
100.90170	0.3
102.65853	0.4
104.94301	0.4
107.01274	1.5
108.02079	1.5
117.03387	0.5
135.00769	0.8
141.64645	0.3
145.02826	1.9
148.01576	1.6
151.00291	2.8
152.01021	0.3
153.47026	0.3
157.02728	0.3
163.00294	0.7
164.00986	0.5
178.99783	1.9
187.03935	0.5
192.00496	0.5
198.03218	0.4
199.03978	1.7
201.01860	0.5
203.03421	0.5
207.10182	0.7
209.11818	0.6
211.03914	0.8
211.13332	1.6
215.03412	0.8
216.04239	0.4
225.11234	0.4
226.02649	1.9
227.03387	3.4
227.12770	0.4
228.03827	0.4
229.01462	0.4
242.02304	0.4
243.02959	12.7
244.03464	1.3
254.02171	2.4
255.02959	27.3
256.03427	1.9
271.02466	63.2
272.02957	5.4
299.01959	4.5
300.02731	100.0
301.03134	8.9
332.01804	0.4
393.62518	0.3
531.11426	40.9
532.11847	5.6
662.88788	0.4
677.15063	39.7
678.15411	8.9
709.17621	2.4
710.18317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20472	2.4
58.81132	2.7
59.01251	8.8
61.98703	34.9
63.02250	2.8
65.00201	4.9
69.39681	19.5
71.01254	3.2
74.63599	3.0
80.63725	3.0
80.96404	3.8
83.36414	2.5
87.00726	3.2
88.98679	6.5
98.20600	5.3
102.85173	3.0
107.01289	6.9
109.99987	9.0
111.00762	4.2
117.03354	4.6
117.33390	3.3
123.00755	5.2
124.01565	4.7
125.02355	5.5
133.02864	3.4
137.02296	2.9
137.99492	3.5
139.00256	16.4
143.04987	4.0
145.02911	7.7
148.44453	2.9
151.00273	19.8
152.01045	9.0
161.02377	4.6
163.00237	3.4
164.01085	5.4
165.99023	14.8
166.99765	5.0
167.03381	3.3
169.01369	7.2
173.21843	2.8
174.03119	3.3
177.01889	5.5
178.99788	17.8
180.00458	3.8
185.02298	3.8
187.03937	8.7
189.01833	4.8
199.03955	3.0
201.01979	4.2
202.02580	5.0
203.03467	14.9
203.05104	2.8
211.13293	8.2
214.02625	10.4
215.03468	13.8
217.01375	7.9
219.02876	4.5
229.01399	5.6
230.02112	5.3
231.02916	10.7
232.03467	3.6
242.02115	9.9
243.02989	16.6
258.01718	8.8
259.02499	22.3
270.01724	5.4
271.02469	63.0
286.01218	9.8
287.01978	81.8
288.02444	10.8
303.01477	8.1
304.02023	3.0
314.00610	3.9
315.01480	78.5
316.02216	100.0
317.02670	7.5
321.79495	2.8
331.00842	7.1
331.97781	5.1
332.01736	91.6
333.02161	8.5
547.10962	44.6
548.11267	4.8
563.10760	23.3
574.39545	3.0
649.38733	5.7
691.13318	8.2
709.14081	64.7
710.14172	9.8
734.10724	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	709.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22634	0.6
55.61598	0.5
58.04199	0.6
59.01242	4.5
61.98697	43.2
62.98379	0.5
63.99134	2.6
65.00202	0.6
68.72604	0.5
71.01253	2.1
72.99198	0.5
75.00762	0.6
78.95766	0.5
80.96387	1.7
83.01250	0.9
83.04882	0.6
84.58450	0.5
86.44084	0.6
88.98686	1.6
93.03337	1.4
101.02304	1.1
107.01271	1.9
113.02320	0.7
121.02823	0.9
123.00739	0.6
124.01552	2.3
125.02297	3.1
126.38524	0.6
133.02870	2.7
135.00745	1.2
135.04379	0.7
137.02345	0.6
142.25432	0.6
148.01541	0.8
151.00250	5.4
152.00932	0.6
159.04370	0.7
161.02353	2.6
163.00266	1.4
163.11191	0.8
164.01067	2.7
165.12729	1.2
166.13152	1.5
169.01323	1.9
171.10303	0.9
172.42734	0.6
174.03265	0.7
177.01909	0.9
178.99786	4.6
183.13837	8.5
184.14149	6.2
185.14296	1.8
186.14590	0.8
187.03952	0.6
192.00517	0.6
197.11763	1.2
199.03992	1.1
199.13420	0.7
203.03455	1.7
204.04204	1.3
207.10120	0.8
209.11732	10.4
210.12088	8.3
211.12091	3.1
212.12549	0.7
213.01913	0.8
214.02625	6.7
215.03383	1.8
216.04218	0.6
225.11273	1.3
227.03439	1.6
227.12840	1.7
228.13116	1.1
229.13405	0.9
229.18901	0.7
230.02261	0.6
231.02917	0.7
232.03697	0.8
242.02119	6.3
243.02899	6.0
244.03668	0.8
251.85756	0.6
253.09230	0.7
254.02008	0.7
255.02913	3.8
257.04578	1.0
258.01498	1.0
259.02417	8.1
267.02899	1.2
270.01675	7.8
271.02463	48.7
272.02740	2.3
283.02600	0.6
285.04004	1.5
287.01950	25.9
288.02588	3.2
299.02142	1.2
300.02731	10.1
301.03284	2.4
313.03610	2.6
315.01434	3.1
316.02213	100.0
317.02692	8.6
377.06772	0.6
406.06549	1.0
407.07574	3.1
408.08157	0.6
458.63654	0.7
479.56686	0.6
531.11609	6.4
543.11737	0.7
547.10895	63.5
548.11365	7.1
595.14038	0.7
637.15424	3.4
638.15674	0.7
665.15491	0.7
674.34564	0.7
675.35034	1.2
676.35217	14.9
677.35181	3.9
691.12756	1.4
709.14081	28.3
709.31232	2.4
710.14441	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	707.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.2
63.20136	0.3
71.01250	2.7
71.19749	0.5
72.27915	0.2
73.02804	0.7
75.63277	0.2
80.96404	0.3
83.01270	0.4
83.04891	0.4
85.02821	1.0
87.00748	0.7
89.02319	1.5
95.01261	0.4
101.02335	2.6
106.87951	0.3
113.02329	1.2
119.03423	0.7
145.04944	0.4
161.04424	1.4
165.12743	0.5
167.10760	0.4
167.14278	0.6
179.05527	0.5
183.13834	5.7
193.12204	1.5
210.93327	0.3
211.13329	100.0
212.11649	0.4
212.13667	7.5
235.08192	3.8
253.09256	8.5
254.09569	0.6
277.21704	84.4
278.22021	8.4
314.43784	0.3
329.25150	0.3
429.21152	0.8
447.22272	3.3
448.22644	0.3
513.30658	0.5
626.22095	0.3
664.25189	0.3
707.37683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01215	4.9
59.75324	0.9
61.98700	13.8
63.02271	1.6
63.99110	1.1
65.00197	2.6
69.03969	0.9
71.46024	1.0
83.01239	1.6
89.00212	1.2
107.01247	4.9
108.02054	1.8
109.99994	1.3
111.00755	1.8
117.03322	1.1
123.00796	1.6
124.01548	3.2
125.02341	1.5
133.02817	2.6
135.00787	2.0
137.02411	1.0
139.00249	3.8
143.04916	1.8
145.02861	2.0
145.04951	1.0
148.01511	1.5
149.02242	1.1
151.00287	12.3
151.59276	0.9
152.01021	2.3
159.04349	1.7
161.02284	2.7
163.00255	2.1
163.50801	0.9
164.01025	3.0
165.98996	2.5
169.01353	2.3
169.02820	1.2
171.04384	3.6
173.02299	1.4
174.03101	1.7
175.03908	2.7
176.01003	1.0
177.01820	1.8
178.99791	9.4
183.04399	2.0
185.02367	1.9
187.03888	3.7
189.01779	2.1
190.02640	1.1
192.00508	1.0
193.01303	1.4
199.03914	7.5
201.01823	3.3
202.02556	2.1
203.03392	3.8
209.11789	1.1
211.03862	2.2
211.13297	4.1
213.01848	1.9
214.02647	6.0
215.03485	5.3
216.04152	1.3
217.01308	1.3
218.02145	1.5
219.02733	1.2
225.11256	2.4
226.02618	1.9
227.03452	9.6
230.01956	1.3
231.02913	2.4
232.03734	1.3
233.00871	1.2
240.04167	1.1
241.01389	1.8
242.02180	5.0
243.02956	24.1
244.03423	1.2
254.01915	1.5
255.02948	30.3
256.03528	4.3
258.01685	2.2
259.02502	7.5
260.02890	1.9
270.01633	4.9
271.02457	100.0
272.02911	7.6
284.03302	5.1
285.03723	2.3
286.01056	3.7
287.01971	26.5
288.02618	10.2
298.00833	1.0
299.01950	55.0
300.02716	94.5
301.03137	4.7
303.01520	1.7
311.01938	3.8
312.02563	2.6
313.03485	9.5
315.01434	15.5
316.02176	39.2
317.02634	1.9
331.00830	1.4
332.01712	24.8
333.01871	1.3
339.01248	3.8
341.03003	4.2
345.07590	6.4
373.07178	6.8
374.07660	2.9
402.07364	1.9
403.08072	1.9
419.07568	4.1
446.06433	10.5
447.07169	32.0
448.07492	3.3
507.60248	1.1
530.10675	4.0
531.11383	38.7
532.11810	3.5
547.10931	19.1
548.11133	3.1
563.10291	6.3
617.12671	2.9
635.13599	1.5
649.15704	5.3
655.33521	1.7
677.15063	42.2
678.15668	5.4
691.12646	5.0
709.02557	1.9
709.14044	24.5
710.14258	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	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.7
71.01251	2.9
71.67149	0.3
73.02826	0.6
83.01264	0.4
83.04901	0.4
85.02851	0.9
87.00744	0.5
89.02325	2.0
97.10796	0.3
99.00771	0.4
101.02322	2.8
104.93442	0.3
113.02316	1.1
143.03305	0.3
145.04988	0.4
148.24400	0.3
161.04424	1.3
167.10728	0.3
167.14365	0.3
179.05511	0.5
183.13841	6.5
184.14185	0.5
193.12338	1.4
194.12566	0.3
210.24072	0.3
211.13336	100.0
212.13712	5.3
232.01181	0.3
235.08139	3.4
242.27362	0.3
253.09279	8.1
277.21716	78.8
278.22043	6.7
429.21216	0.8
447.22360	3.0
513.30011	0.4
639.08917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36302	2.6
55.38037	2.7
57.03316	8.3
58.00460	3.6
59.01250	28.9
61.98698	53.4
69.03317	3.8
71.01255	48.4
71.49253	5.1
73.02817	6.0
80.96389	3.5
81.03339	3.4
83.01260	4.3
83.04868	3.6
85.02833	6.9
87.00746	4.7
88.98692	4.5
89.02335	15.9
96.95891	8.8
97.02844	7.4
99.00778	3.8
101.02339	17.2
109.02791	3.7
113.02310	8.2
119.03387	7.8
119.44082	3.3
121.02826	2.8
123.00818	5.2
124.01548	4.5
125.02332	75.0
125.09573	3.8
137.02362	5.8
139.03903	6.9
151.00235	3.4
151.03864	3.3
155.10600	2.7
161.02335	7.2
161.04434	4.4
163.11206	4.9
165.12726	5.3
167.03392	9.4
168.99974	5.1
169.01346	68.4
171.10170	40.5
177.01868	11.0
179.05515	4.1
183.13838	7.3
185.11806	6.5
197.11861	5.8
199.09822	4.1
199.13344	5.6
201.11261	22.8
207.10213	9.9
209.11765	100.0
209.15169	19.3
210.12126	7.0
222.95302	2.9
223.17090	13.0
225.11171	16.8
225.14923	4.8
227.12767	16.4
233.15567	7.5
235.08212	7.4
235.34396	3.0
251.16490	25.2
253.09247	12.5
258.65521	3.1
259.02551	3.2
271.02484	5.0
287.02002	5.9
291.19675	15.2
292.20123	3.3
305.06619	7.6
309.20715	87.9
310.20975	7.2
315.01425	5.4
316.02151	13.7
317.02908	3.8
397.13565	20.5
415.14505	32.5
461.20309	3.8
616.84058	3.0
635.08105	3.2
671.32819	5.7
680.50269	3.0
689.33771	7.5
707.35529	15.2
708.17438	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	707.437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82993	0.2
58.00455	0.2
59.00963	0.2
59.01247	3.7
67.84139	0.2
69.03321	0.3
71.01250	3.1
71.12623	0.3
72.99147	0.4
73.02823	0.7
83.01264	0.3
83.04884	0.4
85.02819	0.9
87.00744	0.6
89.02314	2.0
97.02831	0.2
99.04451	0.2
101.02315	3.0
112.88120	0.2
113.02294	1.6
119.03408	0.5
125.02329	0.2
129.16716	0.2
140.27376	0.2
143.03418	0.3
145.04945	0.5
149.09872	0.2
153.28813	0.2
161.04433	1.2
165.12727	0.3
167.14290	0.5
179.05486	0.5
183.13817	5.9
184.14177	0.3
193.12259	2.0
211.13327	100.0
212.13652	6.4
235.08183	4.7
236.08517	0.3
253.09247	9.1
254.09641	0.4
259.20633	0.4
275.20169	0.3
277.21701	92.2
278.22043	8.8
280.40265	0.2
281.61267	0.2
429.21152	0.9
447.22269	2.8
448.22540	0.2
453.27112	0.2
513.31061	0.4
628.04388	0.2
698.87408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03324	4.0
59.01250	1.3
61.98692	0.8
66.74372	0.2
71.01254	0.4
71.41106	0.3
72.14181	0.2
79.01764	5.2
79.05412	0.4
80.85556	0.2
83.01264	0.3
87.04386	0.7
89.02313	0.4
91.53963	0.2
95.04895	0.4
99.00739	0.3
99.08040	1.9
109.02830	0.5
110.05525	0.2
111.08040	0.8
121.06462	0.6
123.08051	0.6
125.02341	0.4
125.06004	0.5
141.07126	0.3
144.05768	0.3
147.04411	0.5
149.05983	5.8
150.03108	0.8
150.06412	0.3
152.04759	0.4
155.08536	0.5
158.44576	0.2
159.08084	1.0
161.05971	0.2
165.09145	2.7
166.06250	0.8
167.07059	9.3
168.07387	0.6
169.12215	0.6
171.04413	2.1
173.09596	0.8
178.02623	0.3
182.07248	0.2
183.08087	1.3
191.03485	0.2
193.04993	8.9
194.05376	0.5
195.08221	0.2
195.13817	0.6
196.08868	0.5
197.11766	8.4
198.12157	0.4
200.08345	0.6
200.84491	0.2
209.08128	11.3
210.08455	0.6
211.11182	1.1
211.13316	0.7
219.79803	0.2
225.12828	0.3
235.08139	0.3
237.09268	0.3
238.09776	0.2
247.20764	0.3
253.09370	0.9
253.12289	10.1
254.12694	0.7
255.10243	0.6
269.11945	0.2
277.21573	0.2
279.08896	0.4
282.09100	0.3
291.19672	10.2
292.19958	0.3
297.11316	100.0
298.11655	9.0
357.11383	0.9
383.16580	0.6
401.17493	0.9
409.12991	2.4
410.13141	0.4
427.15784	0.5
433.20447	0.3
496.80981	0.3
506.79724	0.3
524.43469	0.3
527.28601	0.7
595.23254	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	707.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03320	4.6
59.01241	0.7
61.98690	0.3
68.99689	0.4
69.41076	1.3
69.41498	0.4
79.01760	5.5
79.05415	0.4
80.96378	0.3
83.01228	0.3
87.04379	0.8
95.04884	0.6
95.64072	0.2
96.46306	0.2
99.08037	1.8
109.02840	0.4
121.06447	0.7
123.08026	0.9
125.05949	0.5
147.04402	0.6
149.05977	6.4
150.03108	0.7
150.06349	0.2
152.04669	0.7
154.08215	0.2
155.08499	0.4
159.08069	0.7
161.05977	0.2
162.06845	0.2
165.09126	3.3
166.06247	0.6
167.07040	11.2
168.07356	0.5
170.92673	0.2
171.04425	2.4
172.04698	0.2
173.09602	0.7
178.02646	0.5
183.08076	1.6
189.39091	0.2
191.03406	0.3
193.04982	8.8
194.05348	0.7
196.08856	0.5
197.09898	0.3
197.11734	3.1
200.08328	0.9
201.08870	0.2
206.86034	0.2
207.80559	0.2
208.58002	0.2
209.08112	13.7
210.08438	0.6
211.11151	1.2
211.13040	0.2
225.12811	0.6
229.12283	0.2
237.09280	0.3
238.10069	0.4
253.12305	11.6
254.12579	1.3
255.10188	0.9
277.21481	0.3
279.08719	0.3
291.19684	2.3
297.11288	100.0
298.11624	9.4
299.12811	0.3
321.09952	0.3
350.81113	0.2
357.11337	0.6
383.16534	0.7
393.45676	0.2
401.17679	1.2
409.13022	2.6
427.15408	0.7
495.18350	0.2
515.27606	0.2
595.23572	1.4
596.23822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18636	0.7
59.01240	2.3
61.98704	0.9
71.01246	2.6
81.03357	0.9
83.04887	4.0
84.02037	0.9
89.02326	2.1
89.49352	0.8
100.08561	0.7
101.02328	2.1
125.02378	1.0
134.15744	0.9
159.10051	0.7
161.04483	0.7
163.11220	4.4
165.12759	3.1
169.12291	0.7
171.10207	2.1
178.94714	0.8
191.10641	1.0
199.13292	1.2
209.11761	100.0
210.12091	6.4
211.13257	1.4
227.12857	15.9
228.13127	0.9
235.08224	2.9
253.09238	6.2
259.15436	3.7
438.57755	0.7
445.20822	1.0
455.88318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	16.0
58.03643	0.2
65.10250	0.2
71.49971	0.4
81.03320	1.3
83.01251	4.0
89.03835	0.2
93.03320	0.6
95.01200	0.3
95.04906	2.3
96.95888	0.4
105.02641	0.3
105.03340	5.3
105.04021	0.3
109.02834	0.6
117.09902	0.2
118.11351	0.2
121.02830	0.6
122.03576	0.4
124.01604	0.3
125.02332	100.0
126.02662	2.8
130.86838	0.2
131.04974	0.3
132.02086	0.6
133.02858	1.6
137.02333	5.3
137.03348	0.4
145.06554	0.4
147.04437	0.4
149.02325	2.7
150.03145	2.8
151.03979	0.4
155.04956	0.2
159.04437	0.4
159.52502	0.2
160.01576	0.5
161.02344	46.8
162.02704	2.3
163.03865	0.5
164.01028	0.6
164.04738	0.9
165.01826	1.5
165.05472	4.0
166.02644	0.5
166.05780	0.2
167.03442	0.4
169.01361	0.4
171.04422	0.3
171.10188	0.7
173.06003	0.3
175.03920	0.9
177.01842	0.5
177.05496	3.8
179.07097	0.5
180.04228	0.3
181.04947	0.2
182.03677	0.3
183.04482	0.6
185.02307	0.3
190.02658	0.2
191.03389	0.3
193.01404	0.5
195.06558	4.0
195.08311	0.2
197.06027	0.6
197.11696	0.2
198.03212	0.2
199.03929	0.7
200.04732	0.3
201.01860	0.6
201.05521	2.1
201.11267	0.6
203.03430	0.2
208.03693	1.3
209.11768	0.9
213.05484	0.4
219.06609	0.8
223.06064	7.4
224.06421	0.5
225.05498	0.7
225.11276	0.6
227.03441	1.0
229.01427	0.7
229.04897	0.3
241.05138	0.5
243.02943	0.2
243.06602	0.9
257.04501	0.6
269.04559	4.6
270.04904	0.5
285.04037	0.4
286.04767	0.5
287.05591	8.8
288.06049	0.6
300.06192	0.2
305.06714	0.3
345.09836	0.3
371.11392	0.6
419.13528	1.9
420.13718	0.3
541.17090	1.2
545.26288	0.2
569.16809	0.6
572.53253	0.2
663.20251	0.6
689.18665	0.5
707.20129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60170	0.7
57.03314	0.9
59.01255	3.4
61.98389	1.2
61.98702	21.3
63.96103	1.5
65.67247	0.6
69.03333	1.5
71.01253	15.7
72.99203	0.9
73.02808	1.8
77.47080	0.7
78.98450	6.0
79.95602	13.3
80.96387	79.4
81.03338	0.9
85.02831	3.6
86.60350	0.7
87.00745	4.1
93.60793	0.7
94.97957	17.4
96.95868	1.5
97.02829	2.6
99.00756	1.7
101.02326	3.6
106.97952	4.2
109.06448	1.0
113.02327	1.4
119.69363	0.7
122.97443	2.7
125.02342	4.1
134.97450	6.1
136.01646	0.8
136.99020	1.5
148.99034	6.7
152.98538	6.9
164.98535	14.2
167.00166	0.8
169.01236	0.8
171.10124	2.7
178.20883	0.9
181.12224	1.2
183.13803	2.1
185.11781	1.0
197.11765	2.8
198.12143	0.9
199.13345	1.8
206.99649	3.7
207.10207	3.4
209.11751	5.0
210.12163	1.0
211.13353	15.5
212.13651	1.0
225.00694	26.2
225.11270	4.6
226.00945	1.5
227.12747	2.7
253.09198	1.7
273.17017	0.9
324.57654	0.9
493.17624	5.5
673.34656	4.2
677.31561	1.1
687.30768	1.3
705.31494	100.0
706.31763	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95995	0.5
55.44685	0.5
57.03299	0.6
58.00463	0.7
59.01247	5.8
61.98697	23.7
71.01247	6.1
73.02837	1.4
80.02531	1.1
81.03326	1.6
83.01264	1.0
83.04886	6.3
84.02039	2.0
85.02824	1.7
87.00740	1.8
89.02292	3.9
95.04873	0.8
101.02322	5.8
102.02559	0.6
111.08028	1.4
113.02328	2.9
119.03339	0.9
135.08047	1.3
137.82341	0.5
139.83405	0.5
147.11673	0.9
161.04463	1.7
163.11201	4.9
165.12746	11.5
180.64780	0.7
181.12297	1.1
183.13823	92.2
184.14131	4.8
191.10701	1.4
209.11766	83.7
210.12076	4.4
227.12827	14.8
235.08240	3.2
253.09280	5.7
353.87341	0.6
445.20612	1.8
463.21780	4.8
504.17944	0.6
655.33264	2.4
656.33307	0.7
673.34314	100.0
674.34656	17.4
705.16962	0.7
705.37213	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	704.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	100.0
62.98410	0.2
64.80106	0.1
71.01253	0.4
78.98469	0.2
79.95599	0.1
80.96382	1.5
94.97969	0.3
106.19095	0.1
115.52622	0.1
122.97456	0.1
125.02337	0.3
139.55806	0.1
148.99037	0.2
152.98538	0.2
164.98567	0.2
175.95029	0.1
207.10144	0.1
209.11833	0.3
211.13390	0.5
225.00711	0.5
466.90521	0.1
540.47461	0.1
647.49133	0.1
649.55164	0.1
705.31464	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	704.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70287	0.1
59.01242	0.2
61.98699	100.0
62.98409	0.2
69.54114	0.6
78.96310	0.1
91.53567	0.1
98.20526	0.2
151.32278	0.1
176.47626	0.1
183.13844	0.1
191.29271	0.1
211.13341	1.3
212.13675	1.0
213.13913	0.4
214.14169	0.1
271.89569	0.1
455.13043	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98421	0.1
70.87258	0.4
74.73519	0.1
101.71651	0.1
141.48492	0.1
147.34116	0.1
209.11841	0.1
211.13383	0.3
212.13812	0.2
510.69949	0.1
553.33105	0.1
656.43384	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.35
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98409	0.2
68.95016	0.1
70.40442	0.2
71.01268	0.2
94.02622	0.1
137.20679	0.1
148.41313	0.1
207.10091	0.1
209.11786	0.2
211.13438	0.2
225.11237	0.2
296.46347	0.1
343.91510	0.1
508.00107	0.1
672.33160	0.1
734.49756	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05038	0.2
58.66631	0.2
59.01248	0.6
60.43308	0.2
61.98703	100.0
62.98384	0.3
71.01268	0.5
75.00726	0.2
80.96378	0.2
85.02831	0.3
89.02348	0.2
101.02330	0.4
113.02338	0.2
115.00294	0.2
119.95675	0.2
125.02363	0.7
169.01424	0.4
183.13846	0.4
197.11763	1.2
209.11751	1.5
210.12051	0.2
211.13333	2.3
212.13666	0.3
227.12862	0.4
237.15047	0.5
253.09528	0.3
273.17108	0.4
348.77988	0.2
369.55518	0.2
634.62604	0.2
644.19525	0.2
670.34607	0.2
671.33105	1.5
702.29285	0.3
703.35815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.3
60.00117	0.1
61.98702	100.0
62.92683	0.1
62.98401	0.2
71.01259	1.1
74.56156	0.1
80.96410	0.4
88.98705	0.2
89.02325	0.2
98.20602	0.3
101.02376	0.2
103.57735	0.2
139.70644	0.1
156.09412	0.2
163.11224	0.2
171.10086	0.2
183.13875	0.2
193.12231	0.1
199.13330	0.2
207.10287	0.6
209.11823	0.3
211.13348	2.5
212.13713	0.5
225.11386	0.5
233.49037	0.2
253.09410	0.2
273.17059	1.0
274.17477	0.4
451.13419	0.2
655.33795	0.2
673.35077	0.2
705.31921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
57.03329	0.2
57.92788	0.3
59.01259	2.7
66.38380	0.2
69.47102	1.8
71.01252	2.7
73.02814	0.8
80.02545	0.4
81.03329	0.8
83.01251	0.6
83.04901	2.8
84.02036	0.4
85.02816	0.9
87.00763	1.0
88.83120	0.2
89.02316	2.1
95.30884	0.2
97.02834	0.4
101.02333	2.8
103.03967	0.2
108.40839	0.2
113.02338	1.7
119.03411	0.5
125.05919	0.2
135.08116	0.3
143.03378	0.3
145.04947	0.6
161.04460	1.2
163.11172	2.5
165.12749	1.6
179.05598	0.3
181.12244	0.4
191.10658	0.6
205.26190	0.3
207.46548	0.2
209.11765	60.9
210.12115	3.8
227.12836	8.1
228.13174	0.6
235.08209	6.3
236.08525	0.3
253.09276	7.4
255.23264	100.0
256.23608	7.7
445.20645	0.5
465.60837	0.2
491.32217	0.4
532.06573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.0
64.99954	0.3
70.62420	0.3
71.01256	2.6
71.49006	0.4
71.49419	0.4
73.02804	0.4
80.02551	0.8
80.51955	0.3
81.03348	1.3
83.01280	0.4
83.04899	3.4
84.02032	0.5
85.02836	0.4
89.02313	2.0
93.46728	0.3
101.02328	1.9
106.43341	0.2
109.06490	0.4
113.02333	1.0
119.03451	0.5
125.05948	0.4
126.52715	0.2
135.08014	0.3
143.03415	0.4
161.04465	0.9
163.11191	3.0
165.12761	2.0
169.68867	0.3
179.05550	0.4
181.12247	0.5
191.10736	0.9
199.13374	0.3
209.11777	100.0
210.12122	6.0
227.12860	11.5
227.15195	0.5
228.13150	0.7
235.08142	1.6
253.09253	7.7
254.09499	0.3
255.23279	59.1
256.23608	5.0
299.44272	0.3
445.20541	0.8
701.43182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4482
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
54.13802	1.0
56.48631	0.8
59.01242	4.1
70.86806	2.4
70.87144	1.2
71.01247	3.5
72.60385	1.2
85.02827	1.7
89.02301	2.0
101.02311	4.5
105.78258	1.0
109.02794	0.9
110.38058	1.0
113.02321	1.5
113.25835	1.1
129.38924	0.9
161.04475	1.7
165.12773	8.7
183.13832	57.8
184.14157	2.8
209.11734	3.7
220.38855	1.0
221.55736	1.0
225.28026	1.1
227.12843	4.0
235.08197	3.5
253.09312	6.3
255.23260	100.0
256.23697	6.4
341.76617	1.0
445.20599	2.3
459.41763	1.1
701.44800	76.4
702.45056	14.9
734.97156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.7
64.78059	0.4
67.22672	0.3
71.01263	2.5
73.02824	0.8
74.68241	0.4
80.02534	0.8
81.03338	0.7
83.01279	0.6
83.04900	2.7
84.02050	0.5
85.02843	1.1
87.00729	0.7
89.02315	2.0
101.02323	2.4
113.02319	1.4
119.03381	0.8
125.05920	0.5
145.04933	0.8
149.00148	0.4
161.04475	1.1
163.11186	1.7
165.12732	1.6
179.05467	0.5
180.71619	0.4
191.10666	0.6
202.34238	0.4
209.11769	87.2
210.12135	5.7
220.12218	0.4
227.12842	10.5
228.13182	0.8
235.08215	4.8
253.09273	8.8
254.09592	0.5
255.23267	100.0
256.23578	8.2
368.60309	0.5
445.20703	0.8
491.32300	0.7
634.53485	0.4
701.41113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.3
61.98724	0.1
69.03315	0.3
71.01253	1.2
73.02821	0.3
76.45343	0.1
83.01260	0.2
83.04877	0.3
85.02837	0.2
87.00754	0.3
89.02319	1.0
101.02320	1.3
105.91000	0.1
111.08073	0.1
113.02318	0.8
114.13870	0.1
119.03401	0.3
133.04903	0.1
145.05060	0.2
155.10634	0.2
159.10176	0.2
161.04489	0.7
165.12796	0.2
167.10680	0.2
167.14282	0.5
171.10225	0.3
179.05522	0.4
183.13844	5.8
184.14189	0.3
189.62029	0.1
193.12276	1.4
194.12625	0.1
209.11737	0.2
211.13338	100.0
212.13680	5.9
235.08209	1.7
236.08647	0.2
253.09265	3.7
271.15475	0.4
385.06570	0.1
387.25354	0.3
405.26392	0.3
429.21268	1.1
430.21597	0.1
447.22339	6.6
448.22836	0.8
487.26654	0.1
494.80780	0.1
597.32709	0.1
623.34149	1.1
624.34387	0.2
641.35431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27652	0.1
59.01260	0.2
61.98702	100.0
62.98409	0.2
71.48848	0.2
74.34508	0.1
83.86665	0.1
125.02370	0.2
129.64861	0.2
157.83739	0.2
169.01360	0.3
171.10184	1.1
172.10529	0.3
197.11728	0.3
198.16830	0.2
203.41357	0.1
209.11847	0.3
211.13284	0.7
253.09390	0.3
309.20709	0.2
525.33948	0.2
622.32373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99007	0.5
59.01247	19.0
61.19689	0.5
61.98696	1.9
64.67812	0.5
67.11774	0.5
67.33621	0.5
69.03300	0.7
71.01250	2.6
73.02802	0.6
75.00740	2.5
83.01250	0.6
85.02809	0.6
89.02291	1.6
93.53764	0.5
98.19744	1.2
99.59541	0.6
101.02323	2.6
113.02316	1.9
119.03384	0.9
122.21696	0.7
161.04422	1.1
171.10184	1.9
179.05469	0.9
183.13837	5.2
193.12193	1.3
206.01091	0.7
209.11766	90.3
210.12074	5.7
211.13332	100.0
212.13670	6.0
230.57736	1.0
235.08205	6.5
253.09268	6.3
356.99692	0.6
393.38058	0.7
397.13531	1.3
429.21353	2.8
430.21533	0.6
445.20700	2.6
447.22464	5.8
448.23349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25365	2.4
50.29182	2.2
55.01752	2.2
55.64355	2.3
59.01247	45.4
61.98697	5.0
69.39993	22.9
71.01250	21.2
79.26945	2.9
83.04893	8.2
84.85120	2.2
85.02819	5.1
85.06454	3.5
85.35017	2.6
86.59357	2.5
87.00745	5.9
87.57227	2.8
89.02312	8.9
97.17554	2.9
101.02305	14.3
109.06451	4.2
111.08022	6.1
113.02303	8.0
119.03436	2.5
119.04842	3.4
123.08031	3.6
125.02299	6.2
125.09631	11.7
127.44597	2.6
135.08118	3.2
143.13086	2.5
145.05014	3.2
151.81969	2.5
159.93089	2.4
161.04504	3.4
169.01282	4.3
171.10159	75.1
187.14900	2.9
190.86105	2.9
205.15910	5.3
209.11772	11.0
211.13347	17.5
215.14337	8.0
221.15454	5.6
231.13849	7.2
233.15401	31.2
235.08214	14.3
237.14955	2.8
241.14294	6.4
245.08327	2.9
249.14980	36.7
253.09230	8.2
271.02371	3.9
295.30859	2.9
331.26559	4.9
341.24854	8.1
359.25809	4.6
367.22531	3.4
375.25128	4.0
385.23700	27.1
386.24203	4.4
403.24850	36.7
404.24954	4.6
407.19522	4.6
410.15829	3.7
421.25934	11.8
462.22601	2.7
485.23727	5.8
611.33563	3.3
620.41858	2.9
621.32758	83.4
622.33081	15.7
625.46533	3.0
639.33820	100.0
640.34076	17.1
699.36023	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	699.2446
Annotation	CHEBI:70666
Peak:m/z	Relative Intensity
59.01248	0.9
61.98697	5.0
64.40181	0.4
70.40497	1.3
83.43217	0.5
93.03332	1.7
101.02341	0.6
105.03321	0.8
108.02025	0.5
109.37627	0.4
117.03348	20.3
119.04914	100.0
120.05241	3.3
121.02859	3.8
123.04409	1.9
132.02084	2.4
132.05687	0.5
133.02855	5.6
133.06424	0.6
134.03633	7.4
135.04420	10.2
136.01591	2.0
137.02318	1.5
145.02855	48.0
146.03229	1.7
147.04425	1.2
148.05225	3.9
149.02347	0.8
149.05984	1.8
150.03142	1.2
151.03938	1.0
160.01566	8.6
161.02367	3.9
161.05942	1.0
162.03127	5.1
163.03918	51.6
164.04269	1.9
165.05544	0.5
166.06253	0.9
167.04395	0.4
171.10178	6.9
175.03922	21.1
176.04297	1.0
177.05487	3.9
178.02638	1.3
179.03413	6.6
191.03357	0.5
193.04994	3.9
197.11751	1.0
209.11804	1.3
210.12143	0.7
211.13315	1.3
221.06354	0.4
235.08083	0.7
253.09407	1.1
253.18219	0.4
271.02661	0.5
279.10217	0.6
291.19742	0.9
300.02737	0.6
306.47379	0.4
309.20773	1.4
323.09262	1.3
327.12402	0.6
338.42416	0.4
341.10242	1.7
342.11041	9.8
343.11746	3.5
355.11923	0.5
356.12613	1.6
357.13446	9.4
358.13763	1.3
368.12595	0.5
383.14865	0.6
397.12949	5.2
398.13324	0.6
491.16962	1.1
503.17102	14.3
504.17502	2.5
505.18726	1.9
517.18701	0.8
521.18506	0.7
523.19849	4.7
524.19745	0.8
553.20563	2.9
681.23438	0.8
699.24457	35.3
700.24750	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	699.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.7
60.99168	3.2
61.98711	1.9
65.00207	1.0
71.01262	1.1
83.01289	1.4
88.98683	10.5
107.01263	2.8
109.01511	0.8
117.90870	0.9
119.04934	1.1
121.18555	0.9
123.00748	1.3
124.01533	1.4
125.02337	12.6
136.01566	1.1
137.02336	3.7
145.02788	1.2
151.00270	7.6
161.02359	3.6
163.00258	1.4
164.01018	1.8
169.01321	3.0
178.99763	7.4
191.05573	1.4
193.01248	0.9
203.03430	1.5
214.02637	6.0
227.03476	1.1
242.02165	3.8
243.02986	4.4
259.02377	6.5
270.01691	6.3
271.02478	34.2
272.02835	3.5
281.09393	0.9
287.01993	20.9
287.05295	1.0
288.02515	3.4
297.44897	0.9
311.14551	0.9
316.02231	97.2
317.02856	19.6
318.03430	1.4
373.26193	0.8
375.27560	9.9
376.28061	0.9
463.08713	8.5
464.09268	1.5
595.22363	1.2
606.94000	0.9
609.12494	100.0
610.12830	15.9
687.48602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.6
61.98701	42.1
65.00172	0.8
82.05112	0.5
84.43411	0.6
107.01258	2.2
108.02046	1.2
109.02827	0.9
117.03347	1.6
119.04909	1.2
121.02878	0.9
125.02266	0.8
145.02838	2.0
148.01607	0.9
151.00264	6.7
163.00227	1.3
163.03951	1.0
169.01292	1.1
178.99792	3.7
192.00441	0.7
211.13344	1.1
216.04149	0.9
226.02596	0.9
227.03488	2.6
229.30978	0.9
243.02963	8.3
244.03430	0.9
245.04459	0.9
254.02312	1.3
255.00270	1.3
255.02957	23.4
256.03403	1.4
271.02472	50.2
272.03027	4.7
299.02029	1.9
300.02737	100.0
301.03378	20.9
302.03809	1.0
306.42163	0.6
313.07550	0.6
411.07281	0.8
489.10364	42.2
490.10391	3.8
635.14020	70.0
636.14276	12.0
699.23492	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	698.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.4
61.98703	38.2
71.20238	1.5
80.96352	0.8
85.20743	0.6
107.01279	1.7
108.02063	1.6
117.03368	1.3
119.04892	1.8
125.02377	1.5
135.00754	1.1
145.02852	4.1
148.01591	1.3
151.00278	4.2
162.47202	0.7
163.00334	0.7
163.03918	1.5
169.01340	1.0
178.99763	1.8
199.03932	1.6
209.11809	1.8
211.13316	1.3
215.03493	1.2
217.05060	2.3
225.69626	0.7
226.02753	1.1
227.03418	2.3
243.02966	9.8
244.03279	1.0
251.16475	0.8
254.02180	1.9
255.02979	24.5
256.03299	1.1
261.03931	1.1
271.02484	63.4
272.02921	5.8
298.98669	1.2
299.01974	10.0
300.02744	100.0
301.03247	12.5
302.03897	0.7
315.19870	1.0
361.44717	0.7
362.01245	0.7
489.10406	36.2
490.10983	3.8
502.78387	0.7
632.20514	0.7
635.14014	70.6
636.14435	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	697.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24590	1.6
59.01259	10.0
61.98696	2.6
69.03329	2.3
70.03687	1.6
71.00797	1.6
71.01245	6.5
71.49712	2.6
75.65903	1.5
81.03284	1.9
83.04887	4.0
89.02276	2.4
89.22095	1.6
95.04916	1.9
101.02308	4.1
103.69155	1.7
103.69787	1.8
113.02356	2.3
117.03326	4.2
119.04952	2.9
121.29910	1.6
125.02338	2.2
145.02864	11.8
151.00299	2.2
152.97429	1.7
163.11307	2.2
169.01306	2.6
171.10156	20.1
205.15892	2.0
209.11761	70.4
210.12096	20.7
211.03784	2.4
211.13445	14.8
222.15642	2.0
224.88997	1.7
227.03455	32.8
227.12798	13.7
228.03767	2.5
228.13251	1.8
231.13824	2.8
232.14192	2.1
235.08176	2.3
241.67296	1.9
249.14899	28.0
250.15285	11.5
251.16542	21.6
253.09222	7.0
255.02966	69.9
256.03488	7.2
262.47592	1.7
283.02316	4.2
284.03250	100.0
285.03867	14.1
289.18185	3.0
307.19180	3.3
486.23700	2.4
551.36334	1.8
661.15576	78.8
662.16058	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	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01595	0.9
61.98702	0.9
65.24815	0.2
71.48900	0.4
75.00739	0.3
82.94200	0.2
100.20811	0.2
111.71320	0.3
119.04934	1.1
121.02855	2.4
127.37518	0.2
134.03659	0.3
163.03912	0.4
169.01514	0.2
171.10243	1.4
177.24188	0.2
191.03488	0.8
193.05017	0.4
209.04489	1.7
209.11768	2.6
211.13304	0.8
211.59996	0.2
223.17137	0.4
227.12877	0.7
249.14934	0.3
251.16547	1.6
253.09409	0.5
255.06763	0.2
289.18027	0.5
307.19125	0.3
593.13306	1.0
634.21680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13186	0.5
59.01226	0.9
59.23191	0.5
61.98710	1.3
70.36400	1.7
70.36784	0.9
71.01260	1.0
85.20669	0.6
86.42815	0.6
93.03324	1.0
103.52973	0.5
108.02036	2.3
109.02829	0.9
118.89425	0.5
121.02843	3.4
123.00727	0.9
123.04411	2.0
123.85549	0.7
125.02343	2.6
134.03691	0.6
135.04395	1.6
136.01549	20.2
137.02428	2.9
145.02858	1.3
147.04390	0.7
149.02304	1.2
149.06027	0.6
150.03099	1.5
151.03918	24.3
152.04233	0.9
159.04387	0.9
160.05234	1.6
161.02460	0.8
161.05994	1.5
163.03873	1.4
169.01294	1.4
172.05219	1.9
173.05981	1.9
174.03069	0.7
175.03918	1.7
175.07590	1.0
176.04681	0.9
177.05531	1.6
182.32982	0.5
187.03925	1.2
189.05470	4.2
190.06255	4.0
193.04926	1.0
205.08643	1.1
225.05586	0.8
237.05428	0.8
240.04236	1.0
241.05009	1.6
251.06705	0.6
253.05161	3.2
254.05740	0.7
265.05017	0.8
266.05783	2.0
267.06641	1.3
268.07181	1.2
268.42700	0.7
269.04520	7.7
270.05142	1.4
277.05405	0.6
279.06628	1.8
280.07425	2.7
281.04614	10.0
281.08066	1.9
282.05090	1.3
283.06003	1.5
284.06866	5.8
285.07544	0.9
291.06656	1.0
292.07520	0.6
293.08136	1.4
295.05994	1.8
295.09299	0.7
296.03836	1.1
296.06924	13.0
296.10269	0.9
297.07333	2.2
298.08368	1.3
299.09222	7.5
305.08255	0.9
305.66440	0.6
307.06116	0.9
307.09628	1.1
311.09238	8.8
312.09564	0.8
313.10883	1.5
319.09644	0.9
321.07767	1.6
323.09357	1.3
324.09988	2.4
325.10632	0.8
335.09189	0.8
336.09995	3.4
337.10925	0.7
338.11636	1.1
339.12399	6.0
350.11337	0.6
351.12262	1.7
352.97092	0.6
356.12598	1.3
373.25888	1.3
384.12271	1.1
399.14423	2.7
415.11880	1.2
427.11899	2.9
429.13733	0.8
430.14163	1.0
439.11765	1.3
441.13251	1.0
442.14029	4.8
444.15900	1.0
445.16577	2.3
446.17123	0.8
454.14432	0.6
457.12424	1.1
457.17029	2.0
459.14761	0.8
460.15173	2.3
471.14511	1.2
472.15701	3.2
473.15887	0.9
475.18307	9.4
476.18298	0.9
487.13904	7.2
487.18158	2.7
488.13803	0.7
490.16418	4.5
502.16409	8.1
503.16888	1.0
505.18677	62.3
506.19092	10.2
517.18665	100.0
518.19006	15.7
535.19714	6.2
536.20197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80062	0.4
59.01250	100.0
60.01574	0.9
69.05550	0.4
69.31039	0.8
69.31441	3.1
75.16171	0.4
78.95776	11.3
80.96404	1.5
86.04513	0.4
149.00012	1.0
200.84930	0.4
205.15855	1.1
205.17709	0.4
225.00703	0.6
261.14679	0.4
298.93768	0.4
315.42551	0.4
372.63391	0.5
653.29761	0.8
690.93549	0.5
695.30994	48.2
696.31244	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	695.3654
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
55.01745	2.8
57.03301	4.5
59.01244	12.8
61.98710	2.8
69.03326	11.5
70.14226	6.7
71.01254	9.2
73.02814	3.0
75.22597	1.2
79.01789	2.3
83.04901	1.1
85.02808	2.0
87.00732	2.1
89.02301	6.0
95.04862	1.6
97.02786	2.1
99.00747	16.4
99.08035	11.0
101.02319	6.9
111.00752	1.7
111.08022	2.2
113.02328	2.9
119.03348	1.4
122.03551	1.9
125.02264	1.9
125.05966	1.3
129.01855	2.3
137.05949	4.6
145.04912	1.4
149.05965	3.6
152.04636	1.5
158.09853	1.3
161.04427	2.8
165.12784	11.4
167.07043	63.4
168.07358	3.3
179.07054	2.5
181.85178	1.3
183.13832	83.1
184.14169	5.0
193.04976	3.7
193.12178	3.5
205.12206	2.0
205.15887	2.3
209.11707	4.3
211.13339	6.9
217.85863	1.4
221.15399	8.8
227.12842	8.0
231.13849	14.5
235.08130	3.8
239.10660	1.3
249.14908	50.0
250.15253	3.9
253.09235	7.5
253.12253	5.5
267.10236	15.9
268.10498	2.2
297.11258	33.1
298.11563	4.1
309.21445	1.3
316.02429	1.9
317.02148	1.4
371.16696	1.6
397.12872	3.4
415.28690	1.5
445.20898	1.8
447.40756	1.5
463.21863	3.4
485.23532	7.0
527.17065	1.6
565.22363	30.7
566.22266	6.0
651.37225	2.2
695.25958	4.1
695.36359	100.0
696.25452	2.2
696.36841	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25085	0.3
59.01244	1.6
59.20313	0.4
63.23327	0.3
67.01759	0.8
69.27232	0.5
69.27573	3.3
71.01264	2.0
83.04884	0.4
85.02816	6.4
87.00761	1.9
89.02309	1.1
93.03336	4.1
99.04388	0.4
101.02345	0.5
109.02833	1.0
111.04421	1.3
127.03884	1.7
146.94716	0.4
171.02861	0.4
173.04462	4.9
181.96797	0.3
191.05545	100.0
192.05882	3.5
225.96321	0.3
255.20306	0.4
317.88901	0.4
353.10873	15.9
354.11298	1.0
458.45428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
55.52098	0.4
57.03331	4.7
58.63562	0.5
59.01242	1.8
65.69382	0.4
67.78041	0.5
69.03339	0.5
70.69444	1.5
71.01247	1.9
72.00365	0.5
79.01766	3.8
83.04912	0.8
87.04366	0.7
93.44895	0.5
97.02826	1.1
99.00757	23.0
99.08032	15.3
100.08366	0.5
101.02285	0.6
109.02847	0.9
111.00772	1.3
121.06470	0.7
122.03642	1.6
125.02338	0.9
125.05992	0.9
129.01790	4.0
137.05966	8.0
138.06271	0.6
149.05992	5.1
151.07487	0.7
152.04675	3.5
159.08067	0.7
161.05916	0.5
163.03970	0.8
164.04637	0.6
167.07051	100.0
168.07382	4.6
169.01326	0.9
171.04419	1.4
179.07022	3.3
183.08102	0.5
193.04997	9.1
203.41476	0.6
207.10068	0.6
209.08096	0.9
209.11784	1.7
211.11401	0.9
211.13326	3.1
214.18196	0.5
219.92688	0.5
224.08356	0.6
227.12949	1.6
239.10751	1.9
249.11040	1.4
249.14929	1.8
251.16370	1.0
253.12288	8.2
255.10239	0.9
265.08575	4.3
265.14343	0.7
267.10269	23.0
268.10666	1.8
269.11731	0.6
271.02463	2.6
280.10986	0.7
295.09686	0.5
297.11313	50.3
298.11707	3.8
299.01959	0.5
300.02713	3.1
316.02258	1.3
317.02582	0.8
353.15524	0.7
368.19946	0.5
371.16565	3.3
374.62177	0.6
383.16513	1.0
385.14200	0.7
397.13510	4.1
401.17752	1.8
427.15710	0.7
453.17468	0.6
483.18246	0.7
527.17395	1.3
531.11652	1.1
565.22272	48.1
566.22607	8.5
677.14728	1.0
695.15619	0.7
695.25287	5.5
695.35834	0.8
696.25739	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	695.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42250	0.3
59.01250	2.1
61.98700	2.0
65.00195	0.5
69.19531	3.2
83.01268	0.7
89.02284	0.4
104.63203	0.3
107.01288	1.1
115.52734	0.3
123.00748	0.5
124.01552	2.6
125.02354	0.7
135.00720	0.5
136.01527	0.8
137.02319	0.3
148.01591	0.4
151.00294	2.8
152.01024	1.1
161.02371	0.6
163.00279	0.8
164.01088	2.4
167.07031	1.2
169.01352	0.7
171.10124	0.4
178.99797	5.9
180.00078	0.3
187.03888	0.4
188.04605	0.4
189.01764	0.3
199.03951	0.4
203.03427	1.4
204.04309	0.5
204.48505	0.3
209.11731	2.7
211.13356	1.6
213.01775	0.4
214.02666	8.0
215.03407	1.4
217.01376	0.5
227.03383	1.0
227.12814	0.6
231.02882	1.0
232.03690	0.4
241.01361	0.4
242.02156	6.5
243.02914	5.2
244.03590	0.7
249.14899	1.9
255.03058	0.5
259.02460	8.4
260.02844	0.9
270.01688	7.2
271.02472	46.4
272.02826	3.7
287.01984	28.6
288.02481	4.3
300.02707	1.5
315.01447	4.0
316.02234	100.0
317.02606	8.9
472.35187	0.6
482.75006	0.3
547.10870	1.5
548.31982	0.4
549.11646	0.4
695.16144	49.7
696.16425	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	695.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00169	0.5
69.39822	2.4
69.40234	0.8
86.05905	0.4
98.20570	0.7
107.01271	0.8
108.02048	0.9
112.31813	0.4
116.92727	1.4
119.04928	1.2
125.02325	0.5
135.00832	0.5
148.01581	1.2
151.00331	2.0
163.00282	0.9
164.01060	0.5
169.01370	0.5
178.99770	1.4
187.04024	0.4
194.30865	0.3
199.03896	0.8
209.11769	0.8
211.13303	0.9
213.17386	0.3
215.03526	0.9
216.04138	0.5
226.02672	1.1
227.03442	2.3
243.02982	8.7
244.03473	0.9
254.02180	1.3
255.02971	21.8
256.03302	2.0
271.02469	50.0
272.02924	4.9
299.01971	5.0
300.02731	100.0
301.03116	9.2
306.54794	0.5
309.09943	0.4
337.79990	0.4
447.07300	0.5
531.11414	85.1
532.11847	12.0
676.36151	0.5
677.15460	0.7
685.44055	0.4
695.16052	1.4
721.46350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	9.1
71.50211	12.4
83.01232	6.2
86.63641	5.1
109.02888	5.9
122.15887	5.7
137.02289	11.3
138.79655	6.5
151.00262	29.6
164.47711	6.1
169.01321	7.7
178.99730	30.7
197.37202	5.6
285.03168	5.7
317.03043	100.0
318.03384	10.5
631.09314	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	695.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09823	0.2
61.98707	0.4
63.02272	0.3
65.00194	0.5
70.86928	0.4
70.87298	0.4
77.11258	0.2
83.01234	0.4
91.01782	0.2
93.03345	1.2
107.01274	1.1
108.02061	1.5
117.03366	0.5
121.02841	4.7
124.01534	0.3
132.87901	0.2
135.00769	0.8
143.05032	0.3
145.02867	1.2
148.01558	1.6
151.00276	2.4
152.00981	0.2
163.00304	0.8
164.01089	0.5
169.01401	0.2
171.04395	0.3
178.99780	1.6
187.03964	0.4
188.04861	0.2
192.00597	0.4
198.03191	0.3
199.03932	1.5
201.01837	0.4
203.03494	0.4
211.03928	0.6
215.03438	0.6
216.04202	0.7
226.02657	1.9
227.03458	3.1
228.03886	0.2
243.02974	12.0
244.03375	0.8
254.02168	2.0
255.02971	28.5
256.03342	1.7
271.02481	62.2
272.02936	6.2
273.03757	0.2
283.02429	0.2
299.01941	4.5
300.02740	100.0
301.03149	8.2
345.33670	0.2
348.97928	0.2
405.40222	0.2
489.10654	0.3
526.16003	0.2
531.11420	36.8
532.11816	4.5
573.12476	8.0
574.12775	1.1
677.15094	24.9
678.15472	5.2
684.43512	0.2
695.16168	6.8
696.16589	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	693.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01868	1.2
53.77794	1.2
59.01223	4.0
61.98682	2.0
63.86265	1.0
65.53542	1.1
71.01252	2.2
81.12167	1.0
85.90626	1.2
98.20577	2.6
101.02287	1.7
107.01265	1.8
108.02029	1.6
110.11874	1.2
113.02361	1.7
124.01556	2.5
125.02349	1.5
136.18442	1.1
138.06180	1.1
146.03415	1.1
151.00235	7.3
152.01070	1.6
161.02370	6.2
163.00267	1.3
163.11009	1.2
164.01076	1.7
171.10194	9.6
178.99760	6.3
183.13840	2.0
192.00511	1.2
203.03395	2.2
209.11778	30.9
210.12064	1.5
211.13342	50.0
212.13672	4.4
214.02640	7.4
214.32660	1.1
215.03310	1.5
226.02557	1.4
227.03403	2.6
227.12875	9.0
229.16579	1.5
233.20877	1.2
235.08186	2.3
242.02200	6.1
243.02940	10.6
244.03482	1.6
253.09280	2.4
254.02235	2.1
255.03000	14.3
256.03302	1.4
259.02457	6.9
260.02780	1.3
270.01639	5.9
271.02463	78.9
272.02930	6.6
277.21646	1.9
287.01999	31.8
288.02533	3.8
295.22867	8.6
299.01846	5.3
300.02753	57.3
301.03241	6.4
315.01370	4.0
315.22568	1.4
316.02222	100.0
317.02597	9.5
390.72263	1.2
397.13266	1.5
447.22354	5.2
528.44086	1.4
531.11444	39.1
532.11731	5.6
547.10999	27.2
548.11230	4.5
621.32703	1.6
663.17371	1.4
693.14575	42.9
693.32202	12.3
694.15161	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	693.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.3
63.02267	1.4
65.00192	2.8
69.74706	0.9
71.06673	2.0
73.90816	1.0
81.61785	0.8
81.69721	0.9
83.01241	2.8
94.16835	1.0
95.56277	0.8
107.01273	5.9
121.02793	1.0
124.01522	1.8
125.02348	1.2
135.00793	1.0
137.02304	1.3
145.02777	1.2
146.03568	1.0
149.02321	1.3
150.99149	1.7
151.00269	20.5
152.00998	1.6
158.03552	0.9
159.04373	1.2
161.02455	0.9
163.00235	2.6
164.01057	1.2
171.04355	1.9
171.10152	1.4
173.02338	1.2
174.03116	2.6
175.03896	1.9
177.01802	1.3
178.99782	14.7
186.03172	1.0
187.03894	3.4
187.89973	1.1
190.99867	1.1
192.00491	1.0
199.03923	2.0
201.01814	2.0
202.02669	4.4
203.03395	7.7
209.11728	2.0
211.04007	1.6
211.13365	4.9
214.02655	4.0
215.03458	5.1
226.06209	1.1
227.03490	4.2
228.04292	1.4
229.01367	1.4
230.02115	3.0
231.02924	3.9
239.03421	2.1
241.01469	1.4
242.02161	3.6
243.02963	5.7
244.03563	1.4
255.02904	4.5
256.03696	3.9
257.04541	2.6
257.26062	1.1
258.01712	6.5
259.02472	15.9
267.03027	1.1
269.00873	3.3
269.04568	0.9
270.01627	2.5
271.02463	24.9
272.02911	4.1
283.02341	6.1
284.03110	2.4
285.00293	1.3
286.01099	4.8
286.98761	1.3
287.01959	26.8
288.02332	3.3
297.04037	2.0
299.01935	3.2
300.02692	13.3
300.88721	1.0
301.03412	4.9
311.01761	1.3
312.02567	1.7
313.03680	4.9
314.00421	1.7
315.01431	29.2
316.02197	42.8
317.02707	5.7
327.01404	5.1
328.02267	8.2
329.02924	13.9
343.05859	1.0
345.07602	1.4
355.00928	5.9
356.01590	3.5
357.02466	9.2
358.02881	1.3
361.07181	5.0
372.06607	1.8
373.07120	7.1
374.07413	1.6
389.06549	13.7
390.07083	3.0
418.06882	13.0
419.07483	5.6
420.07794	1.5
435.07181	3.5
462.05737	7.0
463.06677	100.0
464.06985	13.7
505.07544	4.8
545.09076	5.1
547.10809	13.2
548.11316	2.1
587.10211	3.7
633.12164	3.0
651.13684	2.9
665.15125	7.7
666.15540	1.3
693.14490	44.0
694.14966	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	693.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88520	0.4
59.01249	1.1
84.57961	0.5
107.01272	1.2
108.02119	0.4
110.29334	0.4
117.03274	0.4
124.01537	2.0
135.00746	0.6
136.01575	0.9
137.50986	0.4
148.01532	0.4
151.00302	3.3
152.01030	0.8
159.04335	0.4
163.00270	0.9
164.01062	1.6
175.03766	0.4
175.75119	0.4
178.99748	4.0
187.03900	0.5
189.01929	0.5
203.03424	1.9
204.04268	0.7
213.01944	0.8
214.02682	6.7
215.03299	1.4
227.03419	1.2
229.14992	0.5
231.02907	0.6
232.03786	0.6
242.02147	5.6
243.02922	5.0
255.02956	0.9
259.02426	8.3
260.02859	0.6
270.01688	8.4
271.02460	40.3
272.02814	4.1
287.01978	23.6
288.02386	3.6
300.02737	3.2
304.35687	0.6
315.01544	2.7
316.02219	100.0
317.02615	9.0
436.82449	0.6
531.11237	2.6
547.10907	26.6
548.11279	3.9
627.61017	0.5
693.14532	29.3
694.15021	7.2
716.79010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
59.01245	8.7
61.98702	1.6
63.38466	0.9
69.03317	1.4
71.01252	30.0
73.02824	1.9
83.01270	1.4
83.04888	6.3
85.02790	2.4
87.00752	1.7
89.02300	6.0
95.04863	1.4
97.02802	1.0
97.06467	4.9
98.20686	1.3
99.00717	1.4
101.02318	7.4
109.06487	2.4
113.02315	3.2
115.16000	1.0
125.02304	1.5
125.09573	1.1
149.09642	1.4
151.11180	15.3
152.11557	1.1
161.04460	1.9
163.11211	5.6
165.12766	4.1
169.01370	1.6
169.12253	84.5
170.12598	5.3
171.10173	18.8
179.05406	0.8
181.12183	1.2
183.13841	4.4
183.60173	0.9
185.11696	2.2
195.10199	2.3
197.11719	1.1
199.09717	2.8
199.13243	1.4
201.11230	3.8
204.03676	0.9
207.10173	3.4
209.11760	57.6
210.12117	2.9
211.13333	25.9
212.13658	1.3
213.11281	12.0
225.11224	3.9
227.12814	7.3
229.38387	0.9
235.08119	3.1
253.09280	8.2
275.20132	1.6
284.17993	1.0
293.21240	3.6
397.13675	1.6
401.23334	1.5
431.18762	1.5
449.20282	7.1
463.21173	1.3
468.35413	0.9
521.54669	1.0
637.32538	2.6
641.31671	1.6
655.33301	2.6
659.32825	100.0
660.33142	23.6
673.34735	2.5
691.35138	10.4
692.35309	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63198	0.4
59.01252	1.3
60.04922	0.5
71.35996	0.6
71.36328	0.8
90.07565	0.4
95.30385	0.4
112.23744	0.6
124.01572	1.8
127.16386	0.4
136.01569	0.5
151.00282	2.2
152.01059	0.7
163.00282	1.3
164.01096	1.8
178.99765	3.6
189.01978	0.6
203.03418	0.8
204.04141	0.6
214.02669	6.1
215.03255	1.0
227.03461	0.8
242.02162	4.4
243.02863	3.0
244.03616	0.8
259.02444	5.9
260.02988	0.5
270.01703	7.6
271.02457	36.8
272.02780	2.7
287.01971	22.7
288.02548	2.9
300.02777	0.5
315.01474	2.1
316.02216	100.0
317.02554	9.0
458.93234	0.5
547.10901	20.2
548.11292	2.2
693.14496	28.5
694.15118	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	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55416	0.3
51.87156	0.3
55.36983	0.3
55.41394	0.3
55.57669	0.3
58.30670	0.3
58.36070	0.3
59.01243	2.4
59.48381	0.3
59.88522	0.3
65.60992	0.3
71.01250	1.3
71.13055	0.5
71.13389	0.3
73.02821	0.7
80.02541	0.7
81.03326	0.8
83.04892	3.8
84.02040	0.4
85.02827	0.5
85.68986	0.3
89.02309	1.4
95.04896	0.5
97.06480	0.4
97.55232	0.3
98.35189	0.3
101.02316	2.2
101.20614	0.3
111.08067	0.3
113.02329	1.0
119.03407	0.4
125.02316	0.7
125.05971	0.3
125.09592	0.9
127.11171	0.9
135.08043	0.6
143.03468	0.3
155.10631	0.3
161.02371	0.4
161.04431	1.2
163.11191	3.2
165.09122	0.4
165.12727	2.2
169.01244	0.5
171.10182	1.6
181.12128	0.4
184.12222	0.3
185.11792	0.4
191.10713	1.0
199.13243	0.4
201.11253	23.0
202.11632	1.0
209.11765	100.0
210.12114	7.4
225.11263	0.5
227.12833	12.9
228.13145	0.8
235.08218	2.5
253.09262	8.5
254.09679	0.7
261.30945	0.3
261.44962	0.4
437.20294	1.1
445.21011	1.6
611.30817	0.4
637.32953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08992	0.6
55.01738	0.9
57.03305	0.8
59.01244	7.3
61.98691	1.1
68.60236	0.7
71.01249	8.3
73.02807	1.7
79.99457	0.7
80.02540	1.2
81.03320	1.6
83.01256	1.5
83.04892	4.1
85.02819	1.6
87.00742	1.4
89.02309	4.6
95.01273	1.1
96.95858	1.5
99.00694	1.0
101.02317	6.1
109.06468	0.7
111.08028	1.5
113.02328	3.1
119.03365	1.2
125.02338	3.0
125.09573	2.4
127.11192	3.8
145.04951	1.9
155.10634	1.3
156.91782	0.8
161.02341	1.0
161.04442	1.6
163.11148	2.9
165.09119	1.7
165.12752	11.4
169.01335	2.6
171.10150	4.5
181.12337	1.0
183.13814	100.0
184.14163	6.6
185.11768	0.8
191.10634	1.0
199.09673	1.1
201.11246	50.1
202.11629	2.2
207.10127	1.4
209.11754	58.8
210.12129	4.4
211.13327	4.2
215.03212	0.9
225.11290	1.5
227.12837	13.4
228.13120	1.1
235.08142	3.4
243.92253	0.7
253.09233	9.4
255.02980	0.9
382.88174	0.7
445.20700	2.0
463.22070	4.0
531.15460	0.8
545.64966	0.7
637.32495	1.7
647.32764	38.1
648.33044	6.9
652.36420	0.8
655.33527	2.7
659.32654	1.0
673.34271	69.2
674.34656	12.7
691.35352	23.2
692.35559	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	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29222	0.5
55.01743	0.9
57.03312	1.2
58.00454	1.0
59.01252	16.7
61.98695	1.5
65.35718	0.6
67.99495	0.5
69.03360	0.7
70.35340	2.1
71.01254	31.0
72.99197	1.2
73.02808	2.7
74.64268	0.6
80.96395	0.7
83.01261	1.8
83.04874	0.7
85.02825	2.8
87.00743	3.3
89.02320	11.2
95.01283	0.8
97.02824	1.7
99.00762	1.1
101.02315	9.7
113.02340	4.5
119.03371	3.4
125.02286	3.4
133.04915	0.5
143.03413	1.8
161.04463	2.9
171.10178	15.3
171.11652	0.9
172.10524	0.8
179.05550	2.9
181.12187	0.9
183.13824	1.7
195.13789	6.4
199.09666	2.1
199.13306	1.8
201.11304	3.8
205.12361	0.8
207.10176	3.5
209.11783	5.7
210.12134	1.0
211.13329	24.7
212.13655	1.8
221.06592	0.8
223.13327	5.1
225.11342	2.9
227.12788	2.6
228.13560	1.2
234.02200	0.6
235.08171	4.5
253.09322	4.3
275.20139	3.6
293.21210	100.0
294.21542	10.0
305.08740	1.0
347.63028	0.6
397.13452	23.8
397.18665	1.2
398.13904	2.5
415.14557	24.5
416.14816	2.8
434.82968	0.6
673.34131	1.7
691.35638	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	691.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15588	0.4
59.01251	4.1
61.98698	1.4
63.02266	0.8
65.00199	1.4
65.48711	0.4
70.77612	0.8
71.01258	0.4
74.03543	0.4
83.01270	1.0
101.03843	0.9
107.01273	1.7
114.61994	0.5
116.31643	0.5
117.03342	7.0
119.04889	3.3
121.02776	0.5
143.04951	1.4
145.02855	14.3
146.03192	0.5
147.00754	0.4
151.00262	6.0
152.00626	0.5
155.04883	1.0
157.02875	0.5
159.04460	0.7
163.03902	0.6
167.04889	0.7
169.02863	0.4
171.04407	1.6
178.99768	0.8
182.03748	0.6
183.04407	2.7
183.13797	1.1
184.14056	0.5
185.02376	1.0
187.03914	1.0
198.03032	0.7
199.03931	10.7
200.04344	0.8
201.01865	1.8
203.03412	1.0
209.11748	2.6
211.03925	0.7
211.13377	0.8
215.03435	4.1
226.02650	0.5
227.03474	7.2
228.03952	0.6
241.01347	0.8
242.02176	8.0
243.02939	29.9
244.03456	2.1
245.00934	0.6
255.02942	13.9
256.03326	0.8
257.04535	4.4
270.01697	6.3
271.02466	40.0
272.02814	3.3
285.04034	9.6
286.04758	3.2
287.05289	0.6
299.01944	93.3
300.02548	13.1
301.03275	0.5
313.03534	6.2
314.04288	100.0
315.04874	17.0
316.05606	0.8
414.61633	0.4
485.10770	1.4
545.13037	4.9
571.12445	0.6
631.14545	3.1
632.14789	0.6
691.16608	67.3
692.16980	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46820	0.5
55.01762	0.7
57.03321	1.0
59.01255	6.8
61.98705	1.4
65.83128	0.5
66.65141	0.5
69.03326	0.6
69.57164	0.5
70.97591	0.6
70.97908	0.8
71.01262	4.2
83.04889	0.8
85.02840	1.6
87.00760	1.0
89.02313	3.7
95.01263	0.5
97.02836	0.6
99.00755	0.6
101.02323	5.6
104.62550	0.6
111.08064	1.2
113.02344	2.3
125.02340	1.0
161.04465	1.6
165.12775	8.0
166.13069	0.9
167.10696	0.6
167.14317	1.2
171.10143	0.7
179.05608	0.7
183.13834	100.0
184.14169	5.0
193.12274	2.7
199.13362	2.2
204.78860	0.6
209.11716	4.2
211.13339	87.1
212.13699	5.2
215.12805	0.8
225.11288	0.7
227.12849	4.8
235.08188	3.5
253.09256	6.7
271.11581	0.5
273.01968	0.6
429.21008	0.6
445.20694	1.7
447.22308	2.2
463.21750	3.7
657.34906	87.8
658.35248	18.1
689.37451	8.7
690.37927	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	689.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00482	0.6
59.01243	5.4
61.98709	0.9
69.14881	5.8
71.01254	5.0
83.04884	0.7
85.02821	1.3
87.00757	1.7
89.02302	2.5
95.59811	0.6
97.06465	0.7
101.02330	5.1
111.08017	0.9
113.02319	2.3
119.03412	0.7
125.02300	0.6
133.04903	0.6
143.03349	0.5
145.04907	0.6
157.15247	0.5
161.04482	1.4
163.11186	0.7
165.12781	8.5
167.14246	0.6
183.13826	100.0
184.14156	5.6
193.12273	2.0
209.11818	3.3
211.13338	83.4
212.13637	5.5
214.90863	0.5
227.12840	5.0
235.08113	2.4
253.09279	5.7
352.88678	0.7
377.26205	0.9
419.23053	0.9
422.16290	0.5
445.20706	1.7
447.22189	2.1
463.21933	3.7
464.22220	0.7
657.34894	89.9
658.35211	21.1
658.46838	0.7
689.37439	9.2
690.37817	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	689.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
57.03318	2.6
58.00473	2.2
59.01245	28.1
60.34936	0.9
60.84421	0.8
61.98694	3.9
69.03320	2.2
69.19936	9.1
71.01245	33.3
72.99160	1.4
73.02811	5.4
75.00727	1.1
80.02528	1.3
81.03336	3.3
83.01271	3.0
83.04894	3.7
85.02827	5.5
87.00746	5.7
89.02305	20.0
95.01271	1.8
95.04898	2.3
96.95895	1.8
97.02817	5.3
97.06458	2.2
98.20534	1.6
99.00742	2.8
101.02311	17.8
109.06470	11.7
111.04382	1.0
111.08019	9.6
113.02324	8.7
113.09615	0.9
119.03384	5.2
123.10549	0.9
125.02305	7.6
133.04941	1.1
135.08041	2.5
139.03920	1.0
143.03394	3.9
161.04433	4.0
163.11171	7.7
165.12778	7.7
167.03355	0.9
167.10648	1.1
169.01274	2.7
171.10162	6.8
177.12718	1.7
179.05534	4.2
179.10645	2.0
181.12218	2.0
183.13823	40.9
184.14156	3.1
185.11731	1.6
193.12242	1.4
195.13847	5.6
197.11768	2.9
199.09608	1.2
199.13321	3.7
201.11263	3.7
207.10181	25.9
208.10568	2.0
209.11745	49.0
210.12114	2.9
211.13316	42.9
212.13728	3.2
224.24580	0.9
225.11238	18.3
226.11655	1.5
227.12816	17.0
228.13213	1.5
235.08247	8.3
241.14523	1.2
247.20575	3.3
253.09215	10.3
259.15665	0.9
287.07712	1.3
288.14276	1.0
291.19635	100.0
292.19998	10.2
305.08664	1.5
355.23135	1.0
373.23798	4.1
391.24915	4.0
397.13443	43.3
398.13785	2.6
415.14539	23.8
416.14917	2.6
445.20496	2.0
447.22318	1.9
461.20117	6.8
463.22079	4.6
621.32916	2.0
627.34320	1.2
645.30835	1.2
653.31775	2.3
657.35266	2.1
671.32727	9.6
672.33093	1.2
689.33704	6.5
690.33838	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	689.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42668	0.9
57.03297	1.3
58.00447	1.5
59.01241	9.1
61.98698	2.3
69.03328	0.8
71.01250	39.0
71.04863	1.0
72.99168	1.6
73.02802	4.5
80.02543	1.7
81.03325	1.2
83.01257	0.9
83.04894	5.6
84.70903	0.9
85.02810	3.7
87.00752	3.3
89.02314	2.8
95.04900	2.8
97.02815	3.3
97.06400	1.0
99.00766	5.5
101.02337	5.9
109.06493	6.4
110.03609	1.3
113.02322	4.0
125.02302	1.8
125.09628	4.7
127.11169	2.5
135.08011	1.3
139.07547	1.1
142.02594	1.3
151.11153	1.1
153.12691	1.7
155.10638	1.9
161.04459	1.3
161.09558	1.1
163.11182	10.5
165.12787	4.6
169.01363	1.0
171.10172	36.4
172.10509	1.9
179.10698	1.1
181.12247	5.6
183.13815	16.8
185.11732	3.3
197.11775	4.1
199.09673	2.0
199.13286	4.6
201.11250	17.6
207.10207	17.9
209.11768	100.0
210.12120	6.4
211.13374	8.2
212.13608	1.5
215.12828	1.9
223.13220	1.2
225.11284	35.1
226.11511	1.6
227.12823	16.7
235.08136	4.5
243.12302	3.8
251.12825	2.1
253.09242	13.3
295.10287	1.2
399.21344	1.3
417.22974	1.0
443.19284	1.2
461.20438	6.5
463.21884	2.6
617.31702	2.5
645.31921	1.9
653.31708	2.7
657.32062	1.5
671.32703	7.0
672.32922	1.5
689.33881	28.4
690.34009	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	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.9
57.03324	1.2
58.00471	1.1
59.01245	7.9
61.98686	1.5
63.02917	0.7
69.46480	0.8
71.01254	43.7
71.41109	1.6
73.02797	3.7
74.21882	0.7
80.02524	1.5
81.03315	2.7
83.01254	1.6
83.04900	6.4
84.01994	1.2
85.02818	1.8
87.00758	3.4
89.02332	4.7
95.01275	0.8
95.04894	1.9
97.02831	3.4
97.06466	1.0
99.00749	4.8
101.02322	5.7
109.06460	5.5
111.00717	0.9
111.04387	0.9
112.24917	0.8
113.02321	2.9
119.03384	1.0
123.07994	1.4
125.02339	1.4
125.09618	5.3
127.11153	2.2
129.30838	0.8
135.08051	1.3
139.07520	0.9
153.09145	1.1
153.12782	1.1
155.10654	1.9
161.04451	2.0
161.09555	0.9
163.11194	11.1
165.08958	0.8
165.12775	3.7
169.12424	0.8
171.10179	36.7
172.10564	1.4
181.12253	8.1
182.12642	1.3
183.10175	0.9
183.13837	10.3
185.11787	2.9
187.09682	0.9
188.83014	0.8
189.09163	1.1
197.11769	4.9
199.13344	4.3
201.11244	21.5
202.11484	1.2
207.10205	20.7
207.12170	1.0
208.10648	0.9
209.11769	100.0
210.12112	7.9
211.13298	7.7
215.12862	2.6
223.13347	0.9
225.11272	36.0
226.11646	2.2
227.12837	15.5
228.13091	1.5
235.08235	3.5
243.12387	6.1
251.12801	2.4
253.09267	12.0
295.10022	1.1
399.21866	1.3
406.44968	0.9
417.22955	1.4
443.19302	1.5
445.20508	1.2
461.20273	5.4
479.21237	2.2
508.32193	0.9
617.31775	2.9
635.30542	0.9
645.32275	1.1
653.31964	2.7
654.31750	1.1
671.32666	5.9
689.33899	26.3
690.34198	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	687.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.8
59.01248	13.0
59.74802	0.5
60.43278	0.5
61.98697	1.2
69.03311	1.1
71.01260	3.9
71.48669	0.5
71.49038	0.5
72.99159	0.8
75.00047	0.5
75.00739	1.8
75.28158	0.5
76.98119	0.5
83.04887	1.0
84.03051	0.6
85.02805	2.1
87.00746	1.4
89.02316	2.1
95.01260	0.6
98.02260	0.5
99.00750	1.7
101.02342	2.7
107.52813	0.6
109.06435	0.5
113.02342	3.5
119.03398	0.6
119.81256	0.5
123.07997	0.6
125.02351	1.2
137.09615	0.9
150.61667	0.5
153.12766	1.3
161.04460	0.9
161.35956	0.5
163.11183	0.7
163.35980	0.6
165.12640	0.6
165.37221	0.5
169.01329	0.7
169.12262	4.3
171.10167	1.4
179.10751	0.7
181.12221	0.5
183.13823	7.1
193.12283	2.6
197.11758	83.8
198.12122	4.7
207.10199	1.4
209.11760	8.7
210.12086	0.7
211.13336	100.0
212.13692	5.1
223.09702	0.6
223.13350	0.6
225.11308	1.6
235.08246	3.0
239.16605	0.8
249.06215	0.6
253.09233	6.0
254.09752	0.6
255.02956	0.9
271.02475	1.8
272.02872	0.8
300.02783	2.0
301.03140	1.3
316.02280	1.2
317.02377	0.7
318.02924	0.7
373.23532	0.6
391.24905	1.1
415.19858	0.7
429.21268	1.0
433.20667	5.5
437.09991	0.6
447.22339	7.2
448.22357	0.9
461.20859	0.6
580.88617	0.5
609.33075	2.0
627.33771	1.2
643.29559	0.8
655.33270	2.6
669.31458	2.0
686.65454	1.0
687.35809	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	689.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22170	0.9
59.01252	8.0
61.98695	6.7
65.37723	0.9
71.01253	46.8
71.48949	1.0
71.49329	0.9
71.51768	0.9
73.02816	3.6
75.00730	1.0
80.02538	2.1
81.03285	1.6
83.04885	4.9
84.02027	1.6
85.02822	2.3
87.00776	1.9
89.02307	2.1
93.03336	1.0
95.04877	1.9
97.02807	1.8
99.00745	2.6
101.02311	4.7
109.06499	5.2
111.04393	0.9
113.02328	2.1
125.02326	1.8
125.09605	2.4
127.11182	2.1
135.08061	1.3
137.05966	1.0
149.09663	1.0
153.09212	1.5
155.10710	1.3
161.09645	1.1
163.11191	10.1
165.12726	3.4
169.01372	1.0
171.10173	33.0
172.10529	1.6
179.10724	0.9
181.12259	3.2
183.10236	1.2
183.13855	2.8
185.11697	2.5
189.09116	2.0
191.08936	0.8
191.10751	2.3
193.05019	0.8
193.74995	0.9
197.11789	1.5
199.13211	2.0
201.11272	16.7
202.11421	1.5
207.10194	20.1
209.11768	100.0
210.12065	6.5
211.13361	4.7
215.12869	1.0
225.08977	1.4
225.11264	30.4
226.11632	1.4
227.12822	12.3
235.08119	3.2
243.12424	2.5
251.12869	1.7
253.09285	11.6
317.78824	0.9
398.05521	1.1
399.21777	1.8
417.22638	1.7
439.83417	0.9
461.20294	4.7
653.31830	2.9
654.32745	1.4
657.35101	1.8
671.32562	3.6
689.33514	8.5
690.34589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63441	0.6
57.03293	1.2
59.01244	6.5
69.03313	4.1
71.01251	6.6
71.04894	1.6
73.02805	1.3
80.02547	1.1
81.03323	1.0
83.01281	0.7
83.04876	3.8
84.02071	1.1
85.02841	1.2
87.00758	1.6
89.02308	2.9
95.04855	0.8
97.02847	1.2
97.06453	1.0
99.00748	1.0
101.02306	4.0
109.06451	0.9
111.04415	0.8
113.02311	2.1
116.92758	0.8
123.08053	1.3
125.02328	2.9
125.09604	2.5
135.08176	0.7
151.11182	2.8
153.12772	1.5
161.02354	1.0
161.04512	1.1
161.09654	4.1
162.20914	0.7
163.11205	4.2
165.12711	2.4
167.84111	0.7
169.01338	1.2
171.10161	4.1
175.02344	0.7
179.10692	7.2
181.12245	1.9
191.10718	0.9
197.11760	60.3
198.12053	4.2
199.13269	1.2
199.45000	0.8
204.33307	0.6
207.10240	2.9
209.11769	54.4
210.12138	3.4
211.13417	1.2
223.09700	2.4
225.11259	3.1
227.12868	5.6
228.13226	0.8
235.08142	1.0
241.10799	5.0
253.09143	3.7
271.02472	1.6
296.43497	0.7
301.58298	0.7
316.02029	1.3
317.02524	0.8
399.23804	1.5
411.57584	0.7
459.19199	0.8
477.19901	3.7
538.26678	0.8
549.52631	0.7
573.37891	0.7
651.13251	1.3
669.31256	2.5
687.32300	100.0
688.32697	21.6
688.43048	0.6
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
52.20628	0.2
59.01235	0.4
61.98701	100.0
64.50700	0.2
71.49129	0.2
87.00732	0.3
113.05981	0.6
121.25011	0.2
126.67963	0.2
137.06003	0.6
148.66656	0.2
169.01440	0.3
171.10196	0.5
178.89783	0.2
195.06609	0.7
202.66774	0.2
209.11806	0.8
211.13403	0.3
213.07703	0.4
223.09819	0.3
225.11328	0.2
235.08400	0.3
277.08731	0.4
295.09949	0.5
449.78781	0.2
687.32941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	1.6
61.98699	100.0
69.88868	0.3
71.01251	0.3
71.48904	0.5
78.22289	0.3
102.83757	0.3
113.05996	0.9
129.37776	0.4
132.29985	0.3
132.86928	0.4
134.44145	0.3
171.10182	0.8
195.06570	0.7
209.11726	1.9
211.13461	0.8
223.09659	0.4
237.77357	0.3
277.08826	0.4
287.24994	0.3
295.09915	0.6
295.22861	0.4
323.95050	0.4
626.35626	0.7
649.60394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.9
60.88347	0.6
65.03834	0.5
69.03309	1.3
71.01267	0.9
71.12928	1.3
81.03320	0.6
83.01266	1.1
93.03325	0.9
95.01261	0.9
95.04918	0.6
96.95889	0.5
97.02811	2.5
107.04851	0.6
109.02831	6.7
110.14621	0.6
111.04414	1.4
119.08546	1.1
121.02846	1.0
121.06480	2.3
123.00787	3.6
123.01582	0.7
124.01534	2.5
125.02332	42.8
126.02679	2.1
137.02324	4.1
137.09641	0.6
138.03040	0.7
139.03918	10.8
149.02306	0.9
151.03851	0.9
155.03502	0.6
159.04453	1.7
161.02353	8.9
161.09610	5.2
162.03055	0.6
163.07541	1.7
165.01804	2.0
166.02603	1.2
167.03407	14.3
169.01332	53.6
170.01651	2.1
175.03931	1.7
175.11287	0.6
176.01030	1.8
177.01839	4.0
177.05478	2.2
179.03381	1.7
189.05513	0.7
193.01346	1.6
199.03990	0.6
201.01859	1.5
203.03432	1.8
205.08635	20.3
206.08961	1.2
207.10210	1.8
214.02643	3.6
215.03407	6.2
216.04015	0.6
217.05099	0.7
217.08624	12.3
218.09117	0.7
219.06627	2.6
219.10205	0.7
221.04512	5.3
227.03421	2.6
228.03860	0.6
229.01447	1.0
229.04813	0.8
245.04376	1.0
245.08131	7.8
247.02480	1.4
247.09676	0.7
259.09735	4.8
263.05630	2.8
299.09396	0.8
299.12564	3.0
319.04626	6.9
323.12805	0.9
341.14053	2.9
349.10828	8.6
367.11865	5.8
368.11996	0.7
385.12906	100.0
386.13174	12.6
411.10651	1.5
511.99316	0.6
537.13983	5.4
538.14404	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	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00719	0.9
57.03308	4.0
59.01239	4.2
71.01246	4.3
71.49155	1.5
71.49541	1.1
74.74557	1.0
83.01231	1.0
85.02792	1.3
87.00758	1.8
89.02297	1.5
95.04914	2.0
96.57630	1.0
97.06466	16.3
98.33078	1.1
101.02330	4.2
123.08042	8.9
125.02323	1.1
125.09602	87.0
126.09951	3.3
145.04932	1.2
161.04407	2.0
169.08585	2.1
187.09674	38.8
188.10002	2.3
214.09145	1.2
235.08237	2.5
253.09309	2.7
277.21701	45.1
278.22061	4.1
297.11249	1.2
370.37012	1.2
405.17822	6.8
423.18753	6.7
488.72083	1.2
683.40027	100.0
684.40460	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99932	0.8
57.03318	2.4
59.01242	7.2
71.01233	4.6
72.99209	0.8
83.04918	1.2
89.02323	3.0
91.64957	0.9
97.06460	14.9
97.57688	0.8
98.19672	1.4
101.02316	3.8
103.34900	0.9
113.02349	2.4
123.08044	6.5
123.74109	0.9
125.09610	100.0
126.09946	4.0
129.81685	0.9
130.16818	0.8
143.10683	1.2
169.01344	1.2
169.08669	2.1
179.05585	1.1
187.09677	76.3
188.10030	3.2
227.39685	0.8
253.09270	1.7
277.21674	14.1
278.21948	0.9
391.05096	0.9
405.17700	5.8
423.18704	17.6
424.19147	2.2
484.00952	1.0
632.13989	1.0
683.40015	88.1
684.40454	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.6
57.03324	1.9
59.01246	49.7
71.01257	12.0
71.20611	2.2
72.99170	1.4
73.02814	2.2
83.01278	2.4
83.04888	1.7
85.02818	4.0
87.00765	5.0
89.02309	7.2
95.01280	1.8
97.63035	1.1
99.00742	0.9
101.02316	8.3
106.18594	0.9
107.75537	0.9
109.06474	2.1
113.02326	5.6
119.03413	1.2
125.02326	1.2
135.08031	1.4
137.09628	2.2
145.04959	3.0
161.04477	3.7
167.07062	3.0
171.10188	9.1
179.05585	1.2
229.76831	1.1
235.08206	8.4
239.16437	1.6
253.09259	1.1
265.17914	1.0
275.16507	1.2
275.20093	1.1
293.21204	3.5
297.11191	2.5
298.11719	1.4
315.27005	1.7
325.25372	4.1
341.24982	3.2
343.26450	6.3
351.23410	2.1
359.25806	8.3
361.27652	1.1
367.26358	1.0
369.24316	10.0
377.26846	1.4
385.38797	1.0
387.25360	37.4
388.25778	3.8
405.26364	22.4
406.26886	1.5
479.30106	1.5
508.79529	0.9
533.96313	1.0
595.34290	1.5
596.34955	1.0
602.49548	1.2
605.33044	1.7
623.34290	100.0
624.34607	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01416	0.9
51.69989	0.7
60.99178	19.4
61.98703	1.8
63.02247	0.9
65.00199	1.3
70.97738	2.0
80.96368	0.9
87.20963	0.8
88.98680	100.0
107.01263	3.9
119.04913	1.4
119.79765	0.8
121.02821	1.5
125.02321	2.8
127.21798	0.8
130.26874	0.9
145.02850	2.0
151.00266	10.7
155.35013	0.9
157.07780	0.8
161.02338	1.1
163.00290	2.4
164.00940	1.0
169.01309	2.8
178.99725	5.6
189.01793	0.8
193.01248	0.9
227.03427	1.9
243.03000	5.7
245.04469	1.5
255.02940	13.5
256.03363	1.4
271.02475	33.2
272.02991	3.0
273.03891	1.2
299.01962	1.5
300.02744	57.6
301.03485	33.7
302.03766	2.7
316.02188	0.9
342.50949	0.9
361.56329	0.9
447.03360	1.7
447.09280	21.2
448.09592	2.9
593.12982	76.0
594.13336	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	679.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.6
57.03312	2.0
58.00467	1.2
58.41063	0.4
59.01249	33.4
60.01568	0.5
65.34829	0.4
68.99685	0.4
69.03317	1.7
69.91075	1.0
69.91480	1.7
71.01252	32.8
72.99183	2.9
73.02811	5.5
75.00734	0.9
79.01762	1.1
79.84632	0.5
80.48648	0.4
80.55080	0.4
81.03336	1.0
83.01251	3.8
85.02821	7.3
87.00748	8.3
89.02314	28.2
90.02626	0.5
91.03873	0.5
93.03339	0.6
95.01254	2.1
97.02831	5.5
99.00743	2.2
99.04384	0.4
99.08031	0.7
101.02319	27.2
109.02800	0.9
111.04379	0.6
113.02327	14.0
115.03872	0.8
118.46735	0.4
119.03381	8.1
121.02813	0.8
125.02329	11.9
126.02633	0.6
131.03369	0.9
132.30376	0.4
133.04964	0.7
137.02296	0.4
139.03883	0.6
143.03398	4.7
149.04468	0.9
149.05989	1.3
157.04961	0.4
161.04462	5.6
162.11710	0.4
167.03406	0.6
167.06970	2.8
171.02936	0.8
171.04417	0.5
178.70760	0.4
179.05537	5.4
181.05005	0.5
185.04404	0.6
193.05020	1.4
199.06145	0.5
209.08092	1.0
217.07106	0.6
221.06578	1.7
235.08194	12.9
245.06577	0.7
246.42802	0.5
253.09245	3.0
253.12274	2.0
254.12717	0.5
263.07718	1.5
277.09283	1.0
281.24841	100.0
282.25220	10.5
287.07809	3.2
297.11316	20.0
298.11499	2.7
305.08762	5.2
319.16168	0.5
323.09833	1.9
343.07639	0.5
361.11261	0.5
379.12460	0.6
381.17056	0.9
397.13470	78.1
398.13889	6.5
415.14523	30.6
416.14990	2.8
418.70813	0.5
569.85510	0.5
617.21338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91584	0.3
57.03323	16.3
59.01242	0.9
69.83038	0.3
70.83329	0.6
70.83675	0.3
81.03324	1.4
83.01255	4.1
93.03345	0.5
95.04897	2.5
97.02810	0.4
105.03340	5.6
108.02078	0.4
109.02812	1.5
119.04870	0.4
121.02852	1.5
122.03635	1.0
123.00751	0.6
123.04420	0.6
124.01550	0.7
125.02335	100.0
126.02673	3.3
132.02046	0.6
133.02910	1.7
135.04439	0.7
136.05209	1.6
137.02347	5.9
137.06004	0.4
139.03900	0.6
147.04430	0.5
149.02362	4.0
149.06015	0.6
150.03139	8.7
151.03928	3.3
159.04434	0.5
160.01566	0.8
161.02353	41.1
162.02707	2.2
164.04698	0.5
165.01831	1.3
165.05484	8.6
166.02574	0.4
167.03378	1.1
173.06006	0.4
175.03941	1.1
177.01949	0.3
177.05487	4.2
179.03394	0.7
180.04172	0.5
181.04987	2.9
183.04509	0.4
195.06560	9.5
196.06953	0.5
197.06004	0.3
199.03819	0.4
200.04634	0.6
201.01904	0.6
201.05588	2.0
202.02310	0.3
203.03510	0.6
219.06610	1.2
225.05467	0.6
227.03389	0.9
227.60486	0.3
229.01454	0.9
241.05075	0.7
243.06616	1.0
269.04565	5.7
270.04797	0.4
283.09650	0.6
285.04086	0.4
286.04764	1.0
287.05609	7.3
288.05923	0.4
305.06653	4.6
306.07001	0.4
311.09286	1.4
343.11823	11.4
344.12030	1.4
376.55249	0.3
391.13974	23.5
391.27048	0.9
392.14401	2.6
523.16754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	0.6
66.65761	0.4
68.95300	0.4
71.49416	0.7
79.95609	1.7
91.65781	0.3
96.95886	100.0
97.95813	0.4
117.03359	0.8
125.02325	1.7
145.02831	2.6
149.77803	0.4
169.01308	0.9
235.60510	0.4
238.81111	0.6
239.07101	0.7
240.07874	1.8
241.08838	0.5
253.08861	0.5
255.02980	1.2
266.54224	0.4
271.02423	2.8
272.03067	0.6
272.06769	0.8
279.10281	2.2
293.11874	0.8
294.12604	10.3
295.12979	1.3
300.02719	5.5
301.03363	1.2
302.22733	0.5
309.14948	22.0
310.15445	2.4
312.13733	0.8
327.15985	3.2
328.16309	0.7
407.11667	67.0
408.11951	7.7
489.10379	3.7
635.05023	0.4
635.13635	2.1
679.34088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06267	0.9
63.02275	1.6
64.50437	0.8
65.00185	4.6
71.48951	1.5
71.49670	1.1
83.01260	2.2
107.01252	8.0
121.02810	5.9
125.02345	1.9
138.42514	0.9
148.89352	1.0
151.00269	28.5
152.00848	1.0
169.01360	2.0
178.99777	14.5
181.82434	0.9
183.04501	1.1
215.04004	1.0
244.19872	0.9
245.04538	1.4
273.04019	2.1
286.54214	1.1
301.03510	100.0
302.03848	6.0
313.05612	6.5
434.99615	1.2
615.09796	13.2
616.09778	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	679.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.3
63.02282	0.4
64.64142	0.2
65.00195	0.7
67.65881	0.2
67.77530	0.2
70.40549	0.7
83.01265	0.5
91.01817	0.2
95.75417	0.2
97.70106	0.2
98.19941	0.3
104.39429	0.2
107.01268	1.3
108.02054	1.8
109.02836	0.3
120.02101	0.3
123.73745	0.2
124.01578	0.2
125.02347	0.3
126.66621	0.2
126.84502	0.2
135.00764	0.7
148.01569	1.8
151.00258	2.4
159.04472	0.2
163.00275	0.9
164.01036	0.6
171.04396	0.3
178.99776	2.1
183.04462	0.5
187.03908	0.5
188.04689	0.2
198.03288	0.3
199.03918	2.0
200.04375	0.3
201.01862	0.6
203.03487	0.4
207.63208	0.2
211.03870	0.7
211.13124	0.3
215.03445	1.5
216.04208	0.8
226.02661	2.0
227.03438	3.3
228.03912	0.4
243.02942	12.9
244.03407	1.0
254.02167	2.4
255.02959	30.3
256.03357	2.0
271.02460	69.0
272.02939	6.1
272.07462	0.2
299.01947	5.8
300.02722	100.0
301.03094	7.7
380.73807	0.3
424.01224	0.2
531.11383	4.0
532.11908	0.6
619.14337	0.3
626.63507	0.2
637.15344	0.6
672.01276	0.3
679.16614	48.7
680.16943	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	679.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.3
61.98700	1.2
65.00211	0.6
69.39990	0.5
69.40389	1.5
71.06448	0.3
78.64436	0.3
83.01251	0.6
83.89141	0.3
93.03335	1.7
107.01251	1.4
108.02062	0.4
117.03355	1.6
119.04897	1.2
121.02840	17.7
122.03165	0.6
125.02299	0.4
127.33260	0.3
132.02098	1.4
135.00784	1.2
138.17276	0.3
145.02861	4.2
151.00276	2.0
159.04463	0.6
163.00298	0.8
164.01085	0.8
169.01282	0.4
171.10193	0.9
182.03667	0.3
183.04523	1.6
183.13785	0.4
185.02341	0.4
197.11728	0.4
200.04665	0.3
211.03989	2.1
211.13329	0.7
212.04858	0.3
227.03447	35.2
228.03851	2.3
229.04973	0.7
231.09584	0.3
239.03461	1.0
240.04050	0.4
249.10980	0.4
255.02966	70.0
256.03473	7.5
257.04346	0.6
283.02454	4.2
284.03253	100.0
285.03790	11.5
367.08328	0.3
515.11884	11.0
516.12427	1.4
557.12952	18.3
558.13586	2.6
585.12103	1.7
601.13324	0.4
661.15582	42.5
662.15985	8.1
679.16931	1.7
680.16620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73624	0.2
57.03322	2.2
59.01223	0.2
65.55724	0.2
69.55099	1.5
80.81548	0.2
81.03326	7.2
83.01226	0.4
83.04890	17.4
84.05216	0.4
86.80260	0.2
91.61617	0.2
93.03309	0.3
100.07527	0.5
105.03339	0.7
108.04436	0.5
109.02749	0.2
125.02332	16.6
125.07070	1.0
126.02660	0.8
126.05535	0.3
137.02345	0.6
143.08127	0.5
150.03107	0.2
151.00246	0.3
154.74077	0.3
161.02338	6.8
162.02696	0.6
165.01831	0.4
165.05466	0.4
169.01294	0.3
173.05844	0.2
177.05458	0.6
178.99820	0.3
191.07083	0.4
193.04869	0.4
195.06551	0.4
199.18047	0.2
201.05423	0.4
207.14967	1.4
224.17628	3.5
225.16025	12.1
226.16321	0.7
228.42575	0.3
242.18756	0.7
245.53069	0.3
269.04483	0.9
287.05518	1.2
290.22314	0.3
305.06775	0.4
309.21768	0.8
324.26450	0.5
327.12439	0.6
333.23007	0.7
341.29196	1.2
359.11511	0.3
367.27142	0.7
433.31772	1.4
450.34482	1.1
451.32910	5.7
452.33041	0.8
484.66534	0.2
550.43292	0.9
559.40094	0.3
565.44067	0.3
593.44086	0.8
659.48724	1.2
660.49103	0.7
677.49646	100.0
678.49957	19.1
688.25476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41178	0.2
51.24951	0.2
51.32395	0.2
55.01761	1.4
57.03325	1.4
58.00467	2.0
59.01250	39.2
60.01576	0.4
67.01768	0.3
68.99701	0.5
69.03330	2.3
71.01252	36.6
72.01595	0.4
72.99173	2.4
73.02821	6.4
75.00748	0.7
80.73458	0.2
81.03334	1.4
83.01254	4.2
83.04875	0.3
85.02824	7.6
85.99976	0.4
86.03205	0.1
87.00752	8.5
87.04383	0.2
89.02317	29.0
90.02652	0.5
91.03886	0.7
93.03337	0.3
95.01259	2.9
95.04874	0.2
97.02830	5.8
98.03172	0.2
99.00761	1.9
99.04400	0.4
99.86652	0.2
100.73919	0.2
101.02322	29.2
102.02655	0.5
103.00249	0.2
103.03869	0.3
103.98476	0.1
104.66771	0.2
109.02847	0.7
111.00776	0.6
111.04410	1.4
113.02330	14.4
114.02704	0.3
115.03893	0.6
119.03385	9.0
121.02850	0.7
123.00813	0.4
123.04398	0.3
124.01553	0.5
125.02335	11.4
126.02637	0.3
127.03929	0.6
129.01875	0.3
129.12683	0.1
131.03407	1.5
133.04982	1.0
137.02350	0.4
139.03914	0.9
141.01805	0.3
143.03400	6.0
144.03752	0.2
149.02391	0.2
149.04442	0.9
157.04910	0.3
161.04462	6.1
166.82928	0.2
167.03349	0.8
169.01511	0.2
169.04993	0.5
169.33606	0.2
171.02919	0.3
179.05539	5.9
185.04469	0.7
191.03349	0.2
199.06003	0.4
203.05504	0.2
217.07152	0.9
219.05034	0.3
221.06616	2.5
235.08195	12.9
236.08537	0.6
243.02916	0.2
245.06654	0.7
253.09256	3.2
255.02991	0.4
261.22205	0.5
263.07706	1.5
271.02515	0.8
275.23648	0.2
277.09363	0.9
279.23282	100.0
280.23615	9.6
287.07690	2.6
293.24771	0.3
300.02667	0.9
305.05460	0.2
305.08807	3.5
306.09372	0.2
323.09811	1.7
361.11505	0.5
379.12305	0.9
397.13483	70.8
397.98248	0.2
398.13870	5.1
415.14563	29.4
416.14954	2.4
450.29572	0.2
531.10992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	1.3
70.40819	3.3
98.20559	1.5
108.02048	1.6
134.98727	1.3
145.02882	2.3
148.01538	1.9
151.00240	3.0
178.99802	1.5
183.13812	1.7
199.03841	2.2
211.13321	26.9
212.13596	2.2
227.03471	3.3
243.02911	11.0
244.03262	1.4
254.02133	2.0
255.02963	27.1
256.03122	3.2
270.99512	1.9
271.02466	62.5
272.02966	8.6
299.01996	8.2
300.02725	100.0
301.03116	12.8
447.06830	1.1
447.22403	1.5
522.37939	1.2
531.11322	38.4
532.11578	7.5
677.15186	13.3
677.32458	5.4
678.15924	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50179	0.3
55.01514	0.3
55.01752	1.3
57.01740	0.3
57.03317	1.2
57.03814	0.3
58.00471	2.1
59.01250	36.0
61.61821	0.3
61.98690	1.5
68.99695	0.5
69.03330	2.2
71.01252	35.8
71.48890	0.6
72.01601	0.5
72.99178	3.8
73.02818	6.2
75.00734	0.9
81.03320	1.2
83.01254	3.8
85.02819	6.6
85.91973	0.4
87.00748	9.8
89.02315	31.9
90.02638	0.6
91.03892	0.6
95.01262	2.6
97.02263	0.5
97.02832	6.8
99.00748	2.2
99.04379	0.6
99.43093	0.3
101.02322	28.7
102.02616	0.5
103.03871	0.5
109.02825	0.5
109.26906	0.3
111.00768	0.8
111.04398	0.9
113.01527	0.7
113.02325	14.4
114.02662	0.4
115.03927	1.1
119.03388	9.5
121.02883	0.5
123.00768	0.5
123.04399	0.5
125.02333	12.0
125.03264	0.7
126.02692	0.6
127.03843	0.5
131.03418	1.2
133.04993	0.8
139.03877	0.7
141.01833	0.9
143.03401	5.7
149.04456	0.6
159.02800	0.3
161.04462	6.3
163.03809	0.5
167.03474	0.9
169.01292	0.4
179.05533	5.4
179.97299	0.3
181.04909	0.5
185.04471	0.4
199.06068	0.4
206.81821	0.3
217.07196	0.9
221.06622	2.4
235.08173	12.1
236.08530	0.4
245.06633	0.8
253.09267	2.9
255.03014	1.2
261.22156	0.5
263.07877	1.9
271.02448	2.5
277.09262	0.8
279.23279	100.0
280.23602	8.9
285.09683	0.3
287.07697	3.4
300.02701	4.8
301.03268	0.7
305.08807	3.4
306.09140	0.4
323.09735	1.8
361.11295	0.6
374.90259	0.4
379.12408	1.3
397.13474	76.3
398.13748	5.3
415.14545	31.5
416.14914	2.1
463.10379	0.3
531.11456	2.3
677.15436	1.1
678.15326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	9.2
59.01249	2.1
61.98696	1.0
71.01245	0.5
71.49706	0.9
73.02812	1.0
73.73455	0.5
78.76054	0.5
78.97990	0.5
81.03304	0.9
83.01254	1.9
87.04375	2.2
89.14592	0.5
95.04880	1.8
96.95921	0.6
105.03342	3.6
107.92525	0.5
109.02874	1.1
109.06488	0.5
121.02820	0.6
125.02332	55.8
125.09621	3.0
126.02644	1.5
133.02805	0.6
137.02336	4.5
139.03951	0.5
139.07594	0.5
146.55942	0.6
149.02362	0.8
153.09113	0.6
155.10664	0.8
158.37701	0.5
161.02350	23.4
162.02762	1.0
165.01816	1.0
166.02524	1.1
167.03371	1.1
169.01317	2.3
171.10196	3.9
177.01923	0.7
177.05432	2.2
197.06000	0.6
199.03819	1.0
199.09848	0.5
201.02017	0.5
201.05536	0.9
201.11247	29.9
202.11548	1.3
215.12885	2.7
219.06604	0.6
225.05461	0.6
229.01366	0.8
241.05103	0.9
245.13831	0.7
255.13275	0.5
269.04547	4.2
271.02533	0.7
287.05606	5.1
301.03656	0.7
305.06769	3.5
319.04364	0.5
371.24371	5.1
387.24231	0.9
389.25430	100.0
390.25830	8.6
539.28552	0.5
601.27966	0.6
677.32129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66743	0.2
57.03322	14.5
69.51678	0.7
69.52083	1.6
76.26283	0.3
77.03851	0.4
81.03326	1.7
83.01264	3.6
83.04897	0.5
93.03330	0.6
95.01261	0.4
95.04895	1.5
98.19837	0.4
105.03346	5.0
106.03689	0.3
109.02805	0.6
122.03622	0.3
125.02336	100.0
126.02695	2.7
132.02043	0.7
133.02812	1.3
134.03625	1.0
137.02350	5.7
138.03128	0.3
138.38666	0.3
139.03877	0.6
147.04372	0.7
149.02361	1.7
149.05991	0.8
150.03130	2.0
151.00294	0.3
151.03891	0.4
160.01563	1.0
161.02351	48.0
162.02736	2.9
164.01003	0.5
165.01826	1.5
165.05470	2.2
169.01338	0.4
171.04453	0.3
174.03140	0.5
175.03951	1.0
177.01900	0.8
177.05475	2.9
178.02609	0.8
179.03389	0.3
181.06432	0.3
183.04453	0.8
185.02283	0.3
193.05011	3.7
195.06509	2.5
197.06009	0.3
199.03920	1.4
201.01845	0.8
201.05492	1.7
213.05478	0.5
216.45273	0.3
217.04999	1.4
219.06555	0.7
225.05530	1.2
227.03412	1.0
229.01372	0.7
241.05031	1.1
243.06618	1.4
245.04457	0.4
257.04453	0.5
269.04523	4.8
270.04953	0.4
271.02301	0.4
285.04028	0.8
286.04770	1.2
287.05627	9.9
288.05957	0.6
305.06683	1.0
316.02222	1.0
317.03040	0.5
341.10300	1.6
389.12436	1.7
389.25378	0.7
436.11270	0.3
463.08542	0.6
511.16220	0.7
633.19696	0.4
645.16626	0.6
659.17554	0.4
677.19226	0.8
677.49457	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	677.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98682	1.6
63.02264	1.0
64.75768	1.1
65.00188	2.0
75.57724	0.8
82.65636	0.8
83.01253	1.6
89.02322	0.9
92.24050	0.9
93.03326	6.4
98.20567	2.3
107.01263	3.7
108.02041	1.1
111.09929	0.8
117.14694	0.9
125.02312	1.9
135.00725	2.5
145.02795	2.2
151.00259	8.2
157.06523	1.3
159.04337	1.3
163.00366	1.5
166.94597	1.1
167.04930	1.4
169.01357	2.6
171.04396	1.6
176.01059	2.4
177.01773	1.7
178.99841	1.6
183.04414	2.0
185.05986	1.1
186.03082	3.5
195.04414	1.6
197.05942	1.9
197.11841	1.4
199.03871	4.3
200.04657	2.0
201.11182	1.0
202.02762	1.2
207.04395	1.0
209.11772	2.0
210.06744	1.7
211.03941	9.1
211.13326	2.1
212.04686	2.0
213.01758	1.2
213.05540	1.9
214.02599	6.3
215.03392	1.5
223.03975	1.3
225.05460	2.2
226.02626	1.3
227.03439	24.8
228.04132	5.2
229.05058	3.2
239.03487	6.3
240.04224	5.2
241.01363	8.0
241.04973	2.0
242.02191	9.3
243.02995	6.7
244.03328	1.2
245.00798	3.6
251.03476	2.4
253.05055	1.7
255.02972	28.0
256.03619	10.8
257.04492	2.7
267.02942	6.9
268.03787	4.9
269.04538	3.3
270.01709	9.5
270.13196	0.9
271.02484	23.0
272.02942	3.9
281.04666	5.4
283.02505	5.8
284.03256	31.8
285.03909	8.7
295.02466	1.5
297.03912	6.5
298.01129	1.4
299.01959	57.1
300.02695	31.4
301.03162	3.8
301.08667	2.7
303.06699	2.6
311.01990	4.5
312.02719	11.4
313.03525	44.7
314.03851	3.9
317.08328	1.7
318.08926	1.0
327.06418	1.8
329.08105	3.4
335.71280	1.0
339.01401	8.6
340.02045	3.4
341.03027	24.9
342.03275	2.1
345.07642	47.2
346.08096	5.2
373.07156	56.2
374.07861	22.3
375.08264	3.3
402.07486	13.8
403.08063	6.9
418.06964	3.9
419.07773	8.2
423.07205	1.3
446.06409	45.5
447.07166	89.6
448.07544	10.8
489.09082	1.8
531.11365	19.8
532.11804	2.6
543.11853	4.7
557.10541	2.2
570.10162	1.4
575.11981	1.9
617.13013	7.9
635.14056	5.7
644.33826	1.3
649.15558	8.5
650.16217	1.4
677.15088	100.0
678.15442	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	677.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02258	1.5
65.00179	1.0
83.01254	1.0
93.03324	1.9
98.19784	1.6
107.01260	3.3
108.02050	1.6
117.03369	0.8
135.00806	1.0
135.64325	0.6
145.02826	3.3
148.01505	1.3
151.00278	8.4
152.01025	0.8
158.21762	0.8
163.00314	1.2
164.01003	1.0
171.04399	1.1
178.99731	5.0
183.04356	0.7
186.03171	1.2
187.03830	1.0
195.04439	0.7
198.03073	1.0
199.03882	2.6
201.01845	0.9
211.03853	2.6
213.05481	0.9
214.02626	1.2
215.03419	1.5
226.02661	2.2
227.03416	9.8
228.04109	2.3
229.11320	0.9
239.03374	2.4
240.04207	1.3
241.01332	2.6
242.02129	3.4
243.02924	13.0
244.03276	1.5
245.00832	0.8
254.02153	1.9
255.02946	31.8
256.03479	5.9
257.04550	1.7
267.02985	2.5
268.03711	1.6
269.04398	1.9
270.01614	3.6
271.02457	61.8
272.02896	6.1
274.15439	0.8
281.04333	1.2
283.02441	2.6
284.03253	12.7
285.03940	3.9
297.04010	1.9
299.01947	25.6
300.02713	100.0
301.03134	10.8
301.08658	0.8
311.01974	2.9
312.02609	5.9
313.03497	15.5
314.03864	2.2
317.08115	0.9
329.08093	0.8
339.01361	3.1
340.02020	3.5
341.02921	7.5
342.03204	0.8
345.07568	10.8
346.08069	1.6
373.07150	14.7
374.07831	6.0
389.06729	1.3
402.07379	5.1
403.08121	1.9
418.06696	1.3
419.07712	2.0
446.06339	10.3
447.07156	24.6
448.07635	3.4
451.06558	0.8
512.09631	1.8
531.11389	37.5
532.11761	5.2
543.11566	1.2
571.11047	1.7
617.13190	3.1
618.13574	1.2
635.14417	1.1
649.15704	2.6
677.15070	45.1
678.15295	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	677.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03119	1.2
55.21734	1.3
59.01229	10.6
63.02268	3.2
65.00196	3.5
67.05975	1.2
82.94016	1.1
83.01229	2.3
93.03331	4.8
98.20586	2.2
107.01266	5.9
108.02055	1.4
133.02821	1.4
135.00818	2.5
145.02840	2.2
149.28528	1.3
151.00276	16.1
159.04449	1.1
163.00233	2.3
164.01057	1.6
169.01402	1.9
169.02863	1.0
171.04323	2.0
175.03937	1.5
176.01114	1.9
178.99782	7.2
183.04465	2.7
186.03171	2.7
187.03833	2.0
190.99777	1.6
198.03189	1.6
199.03914	7.1
200.04665	2.0
201.01956	2.3
203.03409	1.4
209.05984	1.2
211.03928	6.5
212.04649	1.7
213.05472	2.2
214.02635	2.6
215.03374	4.2
221.57950	1.2
223.04166	1.2
226.02602	3.5
227.03467	19.5
228.04060	3.8
229.01399	1.5
229.04950	2.7
239.03490	9.8
240.04178	4.6
241.01434	9.7
241.04878	2.4
242.02144	9.2
243.02953	17.5
245.00879	3.0
253.04970	2.0
254.02330	2.6
255.02959	44.3
256.03690	9.7
257.04471	4.1
267.02924	7.0
268.03900	3.0
269.04568	3.9
270.01636	8.0
271.02466	81.0
272.02945	8.0
273.03870	1.2
279.03079	2.2
281.04492	4.3
283.02466	7.7
284.03256	27.1
285.03940	6.7
295.02545	2.3
296.03201	1.6
297.04111	4.0
298.01065	1.5
299.01950	55.2
300.02725	94.6
301.03210	9.9
301.08612	2.4
311.01974	6.7
312.02774	10.9
313.03531	37.3
314.03918	3.6
329.08099	1.7
339.01489	6.8
340.02261	11.4
341.02985	22.1
342.03317	1.7
345.07663	28.5
345.11630	2.3
346.07935	2.7
373.07153	39.3
374.07831	12.6
375.08145	1.4
383.80054	1.2
389.06830	1.7
402.07364	8.9
403.08060	4.9
418.06879	3.9
419.07678	7.4
423.07132	2.7
424.07617	1.4
446.06448	28.8
447.07211	60.8
448.07553	6.5
451.06741	3.1
452.07376	1.4
489.08051	1.4
511.08698	4.9
512.09448	6.6
531.11481	30.8
532.11768	2.7
543.11536	3.4
570.10693	1.6
571.10944	7.9
617.12988	9.6
618.13257	5.6
635.13947	3.4
649.15521	6.4
677.15125	100.0
678.15387	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29932	0.4
65.00202	0.5
65.72239	0.3
68.82354	0.4
72.77226	0.3
87.62412	0.3
92.05997	0.3
92.51826	0.3
105.74329	0.3
107.01299	0.8
108.02045	1.1
117.03333	0.6
120.95048	0.4
130.68817	0.3
135.00745	0.4
145.02864	2.3
148.01596	1.0
151.00284	2.3
163.00269	0.4
164.00996	0.3
178.99753	1.6
199.03867	1.3
201.01955	0.4
215.03462	0.8
226.02667	0.8
227.03415	2.0
243.02957	8.3
244.03462	0.8
254.02139	1.7
255.02962	20.1
256.03336	1.7
271.02466	47.6
272.02945	4.3
299.01968	4.2
300.02728	100.0
301.03107	8.9
351.89029	0.3
438.42117	0.3
489.10519	0.6
531.11401	57.3
532.03900	0.5
532.11798	6.6
677.15070	17.6
678.15295	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	675.3591
Annotation	Hirsutatin A
Peak:m/z	Relative Intensity
57.03290	0.8
59.01252	6.3
61.98681	1.0
66.98125	0.7
69.03330	1.1
71.01250	7.1
71.48806	0.8
83.01256	1.0
83.04893	2.1
85.02812	1.9
87.00749	2.3
89.02316	3.6
97.06474	1.4
101.02321	5.1
108.63061	0.9
113.02313	3.6
114.58661	0.9
119.03333	1.1
141.12804	1.1
161.04465	2.1
163.11209	1.7
164.11624	0.9
165.12775	9.0
166.13120	1.2
167.10696	0.9
169.12265	2.3
171.10155	2.4
179.10649	0.8
181.12328	0.8
183.13831	100.0
184.14197	5.8
185.11751	53.7
186.12112	3.2
197.11758	28.2
198.12151	1.3
199.13269	1.3
207.10252	1.2
209.11775	28.0
210.12100	5.4
211.13361	43.4
212.13670	3.5
223.39827	0.9
227.12851	12.0
228.13185	1.9
235.08163	2.8
253.09291	9.9
419.23389	0.9
429.21194	0.9
433.21021	1.2
445.20673	1.3
447.22427	1.4
463.21710	3.0
514.58710	0.9
522.08997	0.9
589.10413	1.0
621.32703	1.0
628.46796	0.8
631.33368	28.5
632.34100	4.0
639.33325	1.0
657.34869	47.2
658.35132	10.2
675.35846	21.5
676.36035	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	677.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09908	0.5
73.91312	0.5
78.66980	0.4
81.33061	0.4
98.19823	1.8
107.01276	0.5
108.02036	0.6
117.03419	0.7
120.28185	0.5
135.00810	0.5
135.32930	0.4
145.02823	2.0
148.01572	1.4
151.00261	1.8
178.99762	2.3
199.03922	1.3
209.56674	0.5
215.03505	0.7
216.04150	0.6
226.02625	1.1
227.03368	1.9
243.02979	7.5
244.03685	0.6
254.02299	2.2
255.00275	0.7
255.02975	18.5
256.03336	1.4
271.02475	41.8
272.02921	5.1
299.02026	3.9
300.02731	100.0
301.03171	8.5
391.81018	0.6
503.47165	0.5
531.11407	46.8
532.11798	6.8
563.49475	0.5
677.15173	20.7
678.15167	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.7
57.03315	1.2
57.55854	0.2
58.00470	2.6
59.01249	51.8
60.01587	0.5
61.98696	0.9
66.12726	0.2
67.01780	0.5
68.99695	0.7
69.03321	2.8
70.23763	1.1
71.01251	46.9
72.01575	0.7
72.99181	3.6
73.02816	7.7
75.00746	0.8
81.03330	1.8
83.01256	5.4
83.04910	0.5
85.02824	10.3
85.99978	0.5
86.03152	0.2
87.00747	10.3
87.04385	0.6
89.02316	38.6
90.02677	0.4
91.03895	0.9
93.03365	0.4
95.01263	3.7
95.04926	0.4
97.02827	7.6
98.03179	0.3
98.19799	0.3
99.00756	2.8
99.04395	0.5
101.02320	35.9
102.02682	0.6
103.00210	0.3
103.03920	0.5
109.02814	0.8
111.00764	0.6
111.04405	1.4
113.02330	17.8
115.03889	0.8
119.03387	12.1
121.02815	0.7
123.00739	0.4
123.04423	0.3
124.01557	0.3
125.02337	15.3
126.02626	0.3
127.03922	0.4
127.07467	0.3
129.01807	0.3
131.03400	2.0
133.04973	1.0
137.02347	0.4
139.03911	1.1
141.01785	0.8
143.03398	7.2
149.02226	0.3
149.04437	1.4
151.03860	0.2
157.04935	0.4
161.04454	8.2
167.03398	1.0
169.04959	0.8
171.02919	0.6
179.05528	7.7
185.04503	0.6
199.06085	0.8
203.05582	0.4
209.11720	0.5
210.02530	0.3
212.91554	0.3
217.07117	1.1
219.05034	0.4
221.06586	2.7
233.22710	0.4
235.08192	15.9
236.08669	0.5
245.06566	0.9
253.09224	4.3
259.20609	0.4
263.07700	1.4
275.20108	0.5
277.09253	1.0
277.21716	100.0
278.22064	10.5
287.07669	3.2
291.23080	0.3
291.59958	0.3
305.08813	4.2
323.09937	2.1
361.11508	0.7
379.12427	1.2
397.13486	85.2
398.13831	6.9
415.14563	35.0
416.14920	3.2
458.21799	0.2
670.37561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.7
57.03318	1.3
58.00468	2.8
59.01251	52.6
60.01587	0.7
60.15259	0.2
61.98719	0.3
67.01759	0.2
68.99686	0.7
69.03324	2.8
71.01253	41.6
72.01601	0.8
72.99172	2.9
73.02818	7.0
75.00748	1.1
81.03332	1.8
83.01259	4.7
83.04897	0.5
84.01608	0.2
85.02823	8.8
85.99964	0.3
87.00748	10.5
87.04399	0.4
89.02318	35.2
90.02682	0.4
91.03885	0.8
93.03302	0.2
95.01271	3.1
95.04912	0.2
97.02830	7.5
98.03155	0.3
99.00755	2.8
99.04407	0.7
101.02322	32.8
102.02660	0.7
103.00259	0.4
103.03917	0.4
106.85963	0.2
109.02825	0.6
111.00756	0.6
111.04421	1.0
112.01598	0.3
113.02329	17.1
114.02673	0.6
115.03896	0.9
119.03388	10.9
120.03750	0.2
121.02853	0.6
123.04420	0.4
124.01550	0.4
124.30677	0.2
125.02337	15.2
126.02690	0.3
127.03886	0.6
127.07561	0.3
131.03416	1.8
133.04987	1.3
137.02322	0.4
139.03929	1.1
141.01831	0.5
143.03415	7.5
144.03734	0.3
149.02289	0.3
149.04462	1.5
155.03409	0.2
157.04974	0.3
161.04475	8.0
162.04842	0.4
165.74081	0.2
167.03436	0.8
169.04921	0.4
171.02924	0.4
179.03897	0.4
179.05530	7.9
180.06023	0.2
181.04958	0.5
185.04498	1.1
199.06099	0.8
203.05563	0.6
205.19516	0.2
211.13493	0.2
217.07030	1.2
219.04874	0.5
221.06596	2.9
221.83931	0.2
233.22717	0.4
235.08185	15.9
236.08600	0.8
245.06627	0.8
253.09236	3.8
254.09683	0.2
259.20633	0.5
263.07669	1.6
275.20200	0.7
277.09601	1.2
277.21713	100.0
278.22064	10.2
287.07684	3.5
291.23212	0.3
295.24716	0.2
305.08774	3.9
306.09079	0.2
323.09781	2.0
361.11395	0.7
379.12491	1.4
380.12601	0.2
397.13480	83.3
398.08548	0.3
398.13803	7.5
415.14557	38.2
416.14886	3.0
516.09766	0.2
546.21942	0.2
657.33313	0.2
675.35657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64454	0.4
53.16868	0.3
58.00469	0.6
59.01245	3.5
61.98696	1.9
68.91929	0.3
69.03330	0.5
71.01252	10.0
73.02811	0.9
73.55774	0.3
83.01262	0.3
83.04887	1.3
85.02802	0.9
87.00768	0.7
89.02312	1.8
95.04912	0.5
97.02813	0.7
99.00755	0.6
100.78361	0.3
101.02298	2.6
102.84481	0.3
109.06445	1.7
113.02332	1.8
119.03370	0.7
125.09548	0.6
125.24790	0.3
131.98114	0.3
143.03461	0.3
155.14345	0.4
161.04443	0.8
163.11183	2.0
165.12779	0.7
167.10712	0.4
167.14351	0.7
171.10172	2.4
181.12221	1.0
183.13823	7.8
184.14116	0.5
185.11783	0.4
191.10825	0.4
193.12294	1.2
197.11720	0.4
199.09644	0.4
199.13326	4.8
201.11240	2.0
207.10217	5.0
209.11775	19.1
210.12148	1.3
211.13336	100.0
212.13669	6.2
215.12791	0.4
215.90100	0.3
225.11336	4.1
227.12840	12.3
228.13211	1.2
229.14409	0.8
235.08217	2.8
235.13338	0.3
253.09248	5.9
253.14357	0.4
265.14337	0.5
383.22562	0.5
401.23276	1.3
419.24402	0.8
429.21393	0.9
430.35721	0.3
442.84952	0.4
447.22379	6.3
448.22723	0.9
461.20160	0.9
463.22296	1.7
493.28537	0.4
623.34454	1.0
637.32214	1.6
641.36090	0.4
655.33417	2.6
671.92859	0.3
673.34125	3.4
674.35107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67958	0.4
57.03336	0.5
58.00473	0.5
59.01251	4.2
64.17500	0.4
70.82842	1.3
71.01251	3.9
73.02813	1.1
83.01254	0.7
85.02825	1.4
85.43626	0.4
87.00749	1.3
88.73869	0.4
89.02309	2.4
97.06470	0.6
101.02321	2.9
102.22848	0.4
111.08020	1.3
111.84623	0.4
113.02336	1.8
113.14960	0.4
119.03419	0.7
142.91840	0.4
145.04910	0.7
158.95302	0.4
161.04468	0.7
165.12749	8.8
183.13823	100.0
184.14172	5.1
188.60526	0.5
209.11752	3.1
211.13373	0.7
227.12827	6.0
228.12923	0.4
235.08131	0.9
253.09250	2.3
445.20651	1.6
463.21924	4.5
464.22406	0.6
511.28952	0.6
629.35260	5.3
630.35876	1.0
655.33466	3.9
656.33594	0.7
673.34338	55.8
674.34656	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	673.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56582	0.2
58.00454	0.2
59.01247	2.4
63.12127	0.2
71.01257	1.6
71.29813	0.4
73.02789	0.4
80.02541	1.1
81.03320	1.0
83.04893	4.4
84.02045	0.7
85.02818	0.3
87.00723	0.3
89.02328	1.1
95.04914	0.6
101.02328	1.7
105.29228	0.2
109.06448	0.3
113.02326	1.0
119.03397	0.4
125.05946	0.3
125.09587	0.5
135.08022	0.6
143.03459	0.3
145.04933	0.2
147.11739	0.2
149.09685	0.2
161.04443	0.7
163.11206	3.7
165.12776	2.5
171.10165	2.8
179.05479	0.3
181.12212	0.6
191.10741	0.9
199.13319	0.7
209.11757	100.0
210.12105	5.6
221.11804	0.5
227.12825	13.8
228.13109	0.7
235.08197	1.6
247.13383	1.1
253.06726	0.4
253.09256	5.4
254.09427	0.3
265.14456	0.5
316.01764	0.2
374.29440	0.2
375.21576	0.3
402.31195	0.2
419.24426	0.4
432.33472	0.2
445.20709	0.7
463.21747	0.5
538.89441	0.2
593.20178	0.2
593.29395	0.4
611.30420	0.5
637.32391	0.9
655.32501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54478	0.1
52.60093	0.2
56.69790	0.1
57.03340	0.2
58.00469	0.2
59.01252	2.0
71.01247	1.5
73.02814	0.4
73.24072	0.2
75.00718	0.2
76.75145	0.2
80.02547	1.1
81.03333	1.0
83.01263	0.5
83.04895	4.7
84.02021	0.7
85.02815	0.5
87.00745	0.4
89.02325	1.1
93.03370	0.2
95.04904	0.9
97.06456	0.2
99.00772	0.2
101.02325	1.6
111.04411	0.2
113.02364	0.9
119.03356	0.4
123.28407	0.2
125.05975	0.5
125.09609	0.3
135.08047	0.7
141.95590	0.1
143.03403	0.2
145.05009	0.2
161.04495	0.8
163.11198	4.0
164.11533	0.2
165.12759	2.5
171.10197	2.6
179.05562	0.3
181.10771	0.1
181.12321	0.5
185.11835	0.3
191.10759	1.0
199.13274	0.3
209.11768	100.0
209.48607	0.2
209.78688	0.2
210.12096	6.6
221.11739	0.3
223.13388	0.2
227.12839	13.2
228.13252	1.0
235.08183	1.7
247.13364	1.3
253.09256	5.4
254.09695	0.3
265.14453	0.5
278.49969	0.2
401.23117	0.3
404.62589	0.2
419.24255	0.3
445.20700	0.7
611.30408	0.2
637.32245	0.7
655.33868	0.3
673.35107	0.2
699.52252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	0.9
56.38672	0.6
57.03325	0.7
59.01239	7.3
69.41527	5.3
71.01247	6.5
72.99179	0.6
73.02814	0.9
80.02531	1.1
81.03337	1.7
83.01257	1.4
83.04888	5.4
84.01994	1.5
85.02811	2.7
87.00745	0.9
89.02313	3.3
95.01250	0.8
95.04895	1.1
97.02812	0.8
97.06434	1.2
98.19780	0.6
101.02311	5.4
111.08024	1.7
113.02332	2.3
119.03410	0.7
125.02304	0.7
125.05988	0.7
135.08081	0.9
143.39206	0.7
145.04959	0.6
161.04434	1.9
163.11198	5.9
165.12752	11.3
166.13007	0.8
171.10162	2.7
172.69868	0.6
181.12245	1.2
183.13812	83.3
184.14165	4.6
191.10599	1.1
199.13295	3.7
207.10161	1.1
209.11749	100.0
210.12115	5.3
211.13303	5.8
225.11322	1.7
227.12822	25.2
228.13123	0.9
235.08107	3.4
251.19528	0.8
253.09241	8.0
255.43210	0.7
445.21002	3.4
461.19827	0.8
463.21802	5.2
464.22351	1.2
637.33282	0.8
637.69934	0.6
655.33362	3.2
673.34320	68.9
674.34583	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56990	3.3
57.08592	3.6
58.85543	3.5
63.02261	8.9
65.00211	4.5
70.89188	7.7
70.89511	3.6
71.01240	4.3
83.01247	7.7
83.53568	3.5
88.78065	3.6
95.01252	5.4
96.00818	4.1
98.02327	3.8
107.01251	21.3
109.02855	15.4
111.00761	11.7
123.00760	9.1
125.02357	37.4
137.02356	39.8
139.00243	4.7
140.03490	5.4
149.02254	3.6
151.00282	61.2
152.01007	3.8
152.03487	3.6
162.01859	9.9
163.00281	14.8
163.02701	5.0
163.04028	5.8
164.01048	6.7
164.03445	12.0
165.01831	12.4
166.99753	14.3
169.01346	13.8
177.01868	41.7
178.99785	50.4
180.00139	6.7
183.27345	3.8
186.01900	5.4
190.01401	32.3
190.99866	6.2
191.02133	15.9
193.01390	9.2
202.01334	6.1
203.03476	9.3
204.02974	15.5
208.02396	31.1
215.03528	4.2
218.00922	6.5
221.00838	4.2
222.03955	5.2
227.03490	5.9
230.00858	16.5
242.02344	6.3
243.03041	7.2
248.01979	18.6
255.03008	4.9
259.02448	16.1
270.01593	7.0
271.02472	42.4
272.02893	6.6
287.01959	32.0
289.03635	5.4
294.04428	3.9
310.03464	7.6
315.01437	48.4
315.07150	4.7
316.02185	82.2
317.02911	81.6
318.03281	13.3
329.03006	5.1
333.02280	9.8
338.03009	18.4
355.03125	5.2
355.06967	6.9
356.04059	100.0
357.04367	7.8
374.05099	88.7
375.05392	5.8
394.07730	36.2
463.08765	64.2
464.09247	10.9
470.31079	3.9
489.06818	7.0
502.10052	14.6
507.07358	6.3
520.10834	8.6
546.08899	6.1
556.18463	4.1
617.10950	4.3
654.11365	26.7
672.11975	19.0
673.11993	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	672.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43550	0.6
59.01232	1.0
61.98700	2.5
62.01947	0.7
65.00203	1.2
69.44469	4.7
69.65984	0.7
71.01251	1.2
83.01261	0.7
83.04891	1.2
98.19825	1.5
101.02296	0.8
107.01284	2.1
109.02831	2.4
119.04926	0.8
124.01553	2.8
125.02322	2.9
136.01540	0.7
137.02341	3.0
144.25760	0.6
145.02878	1.4
151.00272	8.4
152.01024	1.0
161.02437	0.9
163.00237	1.9
163.03912	0.8
163.11195	0.9
164.01099	1.7
165.01843	0.7
169.01358	1.4
171.10153	1.1
177.01958	1.1
178.99796	8.2
199.03819	0.8
203.03369	0.8
207.10217	1.6
209.11800	14.5
210.12166	0.8
214.02658	6.6
215.03227	1.4
217.01268	0.7
225.11282	3.3
227.03491	1.1
227.12865	1.8
242.02185	5.9
243.02896	3.1
244.03476	1.2
253.09259	1.2
259.02441	5.5
270.01727	7.9
271.02475	38.8
272.02725	3.6
286.98755	1.2
287.01999	23.2
288.02414	4.1
315.01453	0.9
316.02243	100.0
317.02817	21.0
318.03036	1.9
333.31674	0.6
463.08856	9.9
464.09244	1.0
609.12500	90.2
610.12823	14.0
635.58661	0.8
654.14093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58025	2.3
58.93095	2.0
63.02269	2.7
65.00184	4.0
65.53796	1.9
65.97601	2.4
71.49390	2.6
71.49764	3.4
83.01258	2.8
85.22839	1.9
107.01261	8.7
108.45279	2.2
109.02851	6.9
121.02813	3.2
125.02303	4.5
137.02371	15.5
140.01129	2.1
142.97856	2.4
147.00714	2.3
151.00266	45.0
162.01723	2.2
163.00304	2.2
164.01007	3.4
169.01277	6.6
177.01862	6.5
178.99771	34.3
186.01949	2.9
190.01346	8.2
193.92921	2.2
203.03502	2.9
214.02654	2.8
242.02048	3.8
243.02942	3.6
259.02493	4.6
271.02438	23.2
285.03818	3.3
287.01941	14.1
289.03540	3.5
311.01962	3.9
315.01468	15.1
316.02222	75.4
317.02979	85.0
318.03394	11.2
328.69687	2.4
329.02963	9.2
338.03091	12.6
352.06628	5.3
356.04092	100.0
357.04269	6.0
479.08133	7.7
505.06384	4.4
518.10010	2.6
603.09546	2.7
630.09088	3.9
670.10406	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	669.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33138	0.7
56.03715	0.9
59.01261	0.8
61.98697	5.1
71.01249	0.8
71.49427	1.1
73.00199	0.7
85.02824	1.1
95.31898	0.8
101.65408	0.9
109.06501	1.0
113.02293	0.7
119.42181	0.7
123.07973	0.7
125.02348	4.2
125.09574	0.9
135.08107	0.9
135.38278	0.7
149.05980	1.7
150.06770	47.0
151.00308	1.1
151.07161	1.4
163.07573	7.3
163.11099	0.9
164.08353	12.1
165.08754	1.0
165.89696	0.7
169.01324	3.6
171.10104	3.7
177.01788	1.0
178.09944	1.3
178.99915	1.0
179.10716	24.1
180.83118	0.8
183.91351	0.7
206.63438	0.7
207.10313	0.9
209.11803	2.8
211.13351	1.5
218.13251	0.8
223.13190	0.8
225.11316	1.3
249.48982	0.7
255.02620	0.8
259.02328	0.9
271.02521	2.2
272.02832	1.9
273.02945	1.6
287.01822	1.7
289.02518	0.8
300.02820	2.6
301.03067	3.6
302.03210	1.5
315.01605	1.2
316.02228	2.7
317.02310	1.3
318.02670	1.1
327.21799	19.7
328.22113	2.1
333.02002	1.4
334.02100	1.3
364.22562	1.1
472.44473	0.9
489.32156	5.9
490.32651	1.1
491.10861	1.4
492.30957	1.8
506.32489	5.8
507.33215	30.8
508.33319	4.5
549.34180	0.9
637.14532	3.3
669.14191	2.7
669.38617	100.0
670.38995	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3853
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
50.58187	0.4
55.78283	0.5
57.20094	0.5
59.01229	0.8
61.98690	1.7
66.08745	0.5
70.51564	1.5
70.51927	0.8
71.01231	0.6
73.02807	0.6
85.02802	0.5
101.02287	0.6
111.04385	0.5
113.02307	0.5
123.07999	0.5
125.02335	1.2
125.09613	1.8
135.08086	0.6
136.05122	0.7
141.09068	0.7
149.06017	2.4
150.06760	55.3
151.07030	2.6
155.10635	0.4
161.04514	0.5
161.09628	1.2
162.06601	0.6
163.07561	7.2
164.08339	13.6
165.08884	0.4
169.01288	1.6
171.10194	4.4
177.01849	0.5
177.09155	1.1
178.09839	1.4
179.10684	29.0
180.11028	1.5
209.11771	1.7
211.13303	0.8
221.43571	0.5
223.13226	0.6
225.11343	0.6
241.72357	0.5
253.09340	0.5
297.73669	0.6
320.20078	0.6
327.21741	25.3
328.21979	2.3
333.20721	0.5
352.55426	0.5
364.22449	1.4
489.32175	6.1
490.32843	1.2
492.30920	1.5
506.32516	5.0
507.33215	36.1
508.33600	6.7
521.34888	1.6
549.34369	1.4
669.38525	100.0
670.38770	24.4
670.50476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.3
58.00465	0.5
59.01249	8.6
60.48521	0.5
69.03323	1.4
71.01253	6.9
73.02824	1.3
85.02824	1.7
87.00741	1.6
89.02312	3.0
95.04869	0.7
101.02328	4.5
104.94851	0.6
108.18022	0.6
109.06473	0.7
111.08054	1.2
113.02331	3.2
119.03419	0.7
119.04892	1.2
125.02351	0.7
145.02873	0.7
145.05003	1.2
161.04472	2.1
163.04036	0.5
165.12770	8.2
166.13121	0.8
167.10713	2.5
177.12726	1.0
179.10696	0.6
179.14342	2.6
183.13832	100.0
184.14151	5.7
195.13815	7.8
199.13409	0.7
205.12314	7.9
209.11726	5.4
211.13329	4.7
219.61040	0.6
221.11757	2.1
223.13347	45.8
224.13664	2.7
227.12866	6.4
235.08118	4.3
239.13016	1.0
253.09253	5.8
302.54187	0.6
361.27704	1.5
389.26901	0.7
419.22958	0.8
445.20352	2.8
459.22208	3.0
463.21854	5.8
651.33020	1.0
669.34875	79.8
670.35193	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	669.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
59.01245	5.6
69.03315	1.7
69.39304	2.1
71.01245	3.7
71.04882	0.7
73.02822	0.9
80.02550	1.6
81.03333	1.3
83.01246	0.4
83.04893	4.9
84.02038	0.7
85.02816	0.9
85.06453	0.5
87.00754	1.1
89.02318	2.0
93.03315	0.4
95.04896	0.8
97.06477	0.3
101.02321	3.5
109.06473	0.7
113.02348	1.9
119.03406	0.7
121.02826	0.3
125.02342	0.4
125.05923	0.3
125.09593	0.8
135.08067	0.6
143.03432	0.3
145.05000	0.4
149.09589	0.4
161.04482	1.4
161.13329	0.7
163.11191	3.6
165.12729	2.3
167.10716	2.2
169.01411	0.3
171.10222	3.1
177.12842	0.3
179.05527	0.7
179.10736	1.0
179.14331	2.8
181.12315	0.6
191.10692	1.0
195.13838	7.7
196.14217	0.6
205.12277	9.8
206.12485	0.6
206.94499	0.3
209.11777	100.0
210.12128	6.4
211.13380	0.7
223.13353	85.4
223.55692	0.3
224.13675	5.7
227.12837	15.7
228.13158	1.2
229.14316	0.3
235.08195	3.7
236.08589	0.4
253.09256	10.7
261.14999	2.3
338.59171	0.3
370.87958	0.4
415.24698	0.8
441.21432	0.4
445.20828	1.2
459.22333	7.4
460.22650	0.9
463.22159	0.3
633.32941	0.9
651.33795	1.2
652.34052	0.4
669.34351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1459
Annotation	Alterporriol D
Peak:m/z	Relative Intensity
54.50132	0.7
59.01239	2.7
60.58976	0.6
61.98684	1.4
65.00204	0.7
67.66953	0.6
70.78616	2.0
71.01239	0.8
75.00744	1.0
85.02847	0.8
101.02314	1.1
107.01237	1.5
119.04900	1.2
121.02841	2.1
124.01553	2.2
125.02308	3.6
128.89192	0.8
135.00777	0.7
135.04379	1.9
137.02324	0.8
145.02875	1.9
145.42963	0.6
149.02356	1.0
150.03101	2.7
150.06743	1.4
151.00235	4.0
152.01025	1.2
161.02301	2.2
163.00229	1.6
163.03909	1.9
163.07506	0.8
164.01184	1.3
164.08325	1.0
165.05453	2.7
166.67238	0.7
169.01324	1.9
175.04025	0.8
178.99745	6.7
179.10645	1.6
181.04919	1.7
187.03896	1.2
189.01622	0.9
195.06505	1.3
199.03941	0.7
203.03448	2.7
204.04016	1.1
209.08105	1.9
209.11659	0.9
213.01897	0.7
214.02699	8.8
215.03394	1.8
219.06627	2.2
227.03481	1.3
231.02888	1.3
232.03598	0.9
242.02176	6.4
243.02977	5.4
244.03529	0.8
244.76959	0.6
259.02466	8.6
270.01727	8.2
271.02472	43.5
272.02798	4.0
287.01965	32.9
288.02423	4.5
299.01669	0.6
300.02719	1.6
302.10895	0.6
315.01483	10.4
316.02216	100.0
317.02618	8.8
505.09790	8.5
506.09705	0.8
507.33292	1.3
547.11029	6.4
627.14587	0.8
651.13440	15.8
652.13788	2.3
669.14612	48.0
669.38782	4.1
670.15009	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	669.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03876	0.3
59.01245	2.0
65.00214	0.6
83.01238	0.6
88.95313	0.4
93.03329	0.5
95.89773	0.3
98.20665	0.6
107.01257	1.3
117.03339	0.6
119.04941	2.0
121.02845	2.9
123.00786	0.4
124.01547	2.8
125.02340	0.6
125.14337	0.3
129.62943	0.3
135.00800	0.7
136.01530	0.6
141.16837	0.3
145.02863	2.1
148.01543	0.5
151.00269	3.9
152.01067	0.7
153.01909	0.3
161.02299	0.4
161.22563	0.3
162.03058	0.3
163.00269	1.5
163.03900	0.9
164.01050	2.0
165.01776	0.4
171.04475	0.5
173.02342	0.4
173.13597	0.3
178.99785	5.5
180.00238	0.4
185.02440	0.4
187.03886	0.8
189.01944	0.5
199.03896	0.8
203.03471	2.0
204.04187	0.5
213.01938	0.5
214.02649	8.6
215.03355	1.6
227.03503	1.0
229.01395	0.4
230.56343	0.3
231.03049	1.1
232.03627	0.6
241.01277	0.5
242.02150	6.2
243.02907	5.4
244.03600	0.6
246.01744	0.3
257.84708	0.3
259.02441	8.1
260.02997	0.4
270.01663	7.8
271.02466	44.9
272.02805	3.8
275.09213	0.9
287.01968	32.0
288.02512	4.3
300.02798	0.9
315.01462	8.3
315.04684	0.3
316.02216	100.0
317.02646	9.5
318.03244	0.5
377.50937	0.4
505.09918	14.9
506.10052	1.8
547.10901	13.4
548.11462	1.6
575.09564	0.5
651.13531	33.4
652.13776	5.7
669.14606	19.6
670.15009	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	669.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83245	0.5
59.01243	4.6
61.98665	0.4
62.55136	0.4
68.22504	0.4
69.23646	4.5
71.01250	0.7
83.01230	0.6
89.02335	0.6
96.95860	0.9
98.20604	1.0
103.10423	0.5
107.01241	1.2
107.35236	0.4
116.92738	1.4
119.04883	0.6
124.01547	1.8
125.02327	2.6
137.02321	0.8
151.00270	5.1
152.01036	1.0
158.13034	0.4
161.02336	1.0
162.54031	0.4
163.00249	1.2
163.03938	1.0
164.01076	1.2
168.21510	0.4
169.01340	2.0
178.99782	4.4
203.03444	1.4
204.04210	0.5
208.23212	0.4
209.11739	0.8
214.02655	5.0
215.03328	2.0
227.03433	1.1
231.02837	0.5
232.03601	0.6
242.02220	4.9
243.03014	3.6
259.02487	6.9
260.02744	0.6
269.00827	0.4
270.01672	6.4
271.02454	34.7
272.02805	3.1
287.01974	23.7
287.04816	0.8
288.02499	3.2
303.28867	0.5
315.01471	8.8
315.05078	1.0
316.02213	100.0
317.02643	11.4
463.06747	2.9
504.09094	1.2
505.09863	85.3
506.10190	11.7
651.13654	0.8
669.14661	16.4
669.39911	0.9
670.14899	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	669.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25564	0.3
59.01255	0.3
65.00191	0.9
69.40376	0.8
69.40797	1.6
72.32646	0.3
76.42322	0.4
78.30109	0.3
83.01243	0.6
93.03352	0.9
107.01257	1.0
109.02864	0.4
121.02823	1.9
123.91227	0.4
124.01557	2.8
125.02341	1.1
126.56789	0.3
133.33853	0.3
135.00804	0.4
136.01595	0.7
137.02361	1.5
140.17807	0.3
145.02896	0.7
151.00270	5.7
152.00989	1.1
163.00255	0.9
164.01054	2.0
165.01796	0.6
169.01303	1.0
177.01770	0.5
178.99760	5.7
185.02271	0.4
187.03964	0.5
190.99710	0.4
192.00566	0.5
199.03990	0.6
203.03445	1.4
204.04236	0.8
214.02649	7.9
215.03302	1.2
220.03761	0.4
227.03448	0.8
232.03720	0.6
242.02161	6.2
242.04469	0.2
243.02884	3.9
244.03583	0.4
259.02460	7.1
260.03018	0.7
270.01703	7.8
271.02460	41.8
272.02756	2.7
287.01962	24.0
287.05368	0.4
288.02505	3.9
315.01480	1.2
316.02216	100.0
317.02747	12.1
318.03415	0.4
329.15063	0.3
461.03745	0.3
505.09885	22.4
506.10077	2.4
547.10919	7.1
548.11255	1.1
564.89337	0.4
575.10522	0.8
651.13531	37.8
652.13818	6.5
669.14532	23.2
670.14948	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	667.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.2
61.98693	7.0
65.00204	3.5
69.15839	23.0
96.95886	9.7
107.01273	7.7
109.44026	2.1
109.99974	6.7
111.00759	4.1
117.03338	4.1
119.04974	4.0
121.02872	2.4
123.00795	5.1
124.01574	4.5
125.02312	7.3
137.02362	3.0
139.00266	7.1
143.04843	4.1
145.02834	6.6
149.02325	2.5
151.00304	20.1
152.01028	5.4
159.04311	3.5
161.02356	5.8
163.00246	5.3
163.03943	3.2
165.98999	5.4
169.01334	6.2
171.04416	3.1
174.03206	2.3
175.03958	4.1
177.01816	4.0
178.99782	21.9
187.04018	5.9
189.01843	2.7
190.02483	2.3
194.99380	2.8
202.02502	2.9
203.03415	9.7
205.01329	3.4
206.99312	3.1
214.02658	9.3
215.03407	10.2
217.01257	2.8
219.02925	4.0
229.01312	5.0
230.02173	3.8
231.02946	8.1
232.03552	3.5
241.01335	2.9
242.02167	8.3
243.02921	16.0
258.01749	3.0
259.02417	19.1
260.03107	3.0
270.01639	9.2
271.02478	47.8
272.02792	2.3
286.01120	6.5
287.01993	66.5
288.02530	18.2
297.00555	4.0
299.02008	3.1
303.01532	4.6
314.01126	2.7
315.01477	48.4
316.02194	100.0
317.02753	14.2
331.01059	2.4
332.01685	60.1
333.02121	8.0
343.31000	2.7
432.26422	2.7
503.07727	2.6
505.09879	34.7
506.10251	4.3
521.09277	18.2
649.11554	10.9
667.13037	69.5
668.13599	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	667.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58431	0.9
51.49469	0.9
55.61098	1.0
59.01242	4.3
59.57495	1.1
61.98692	2.1
62.26017	1.2
63.02272	1.1
65.00195	4.1
72.99214	1.1
75.12995	1.1
79.57264	0.9
83.51793	1.2
88.98689	5.4
95.01276	1.4
96.99178	1.7
98.19801	2.7
107.01244	5.7
108.02091	1.7
110.00002	5.5
111.00758	3.0
111.88551	1.1
117.03338	3.3
119.04893	7.1
119.23173	0.9
121.02856	1.8
123.00790	2.5
124.01555	4.0
125.02312	4.0
133.02866	2.2
135.00763	1.6
135.04376	1.9
137.02275	1.6
137.99498	2.4
139.00276	8.8
140.00998	1.2
143.04900	2.1
145.02838	10.8
148.01483	2.1
151.00278	21.8
152.01071	7.3
159.04358	2.3
159.10109	1.3
161.02296	5.7
163.00275	3.3
163.03918	2.9
164.01010	4.2
165.99010	7.7
166.99677	2.0
169.01349	2.3
171.04436	2.4
172.55672	1.1
173.02324	1.5
174.03052	2.6
175.03941	3.6
177.01839	3.8
178.99796	19.7
180.00391	2.3
185.02351	2.3
187.03897	4.5
188.04379	1.3
189.01840	3.5
190.02634	2.2
190.99780	1.5
191.03397	1.4
192.00531	2.8
193.01323	1.5
194.99394	1.5
197.02399	1.3
197.11838	3.0
199.03946	2.6
201.01886	3.4
202.02585	2.9
203.03450	9.1
205.01451	1.5
206.02144	1.7
213.01932	2.5
214.02591	8.2
215.03419	8.9
216.04073	1.3
217.01257	2.6
218.02048	1.3
219.02919	3.0
220.03792	1.4
227.03375	3.5
229.01343	2.4
230.02074	3.5
231.02957	7.1
232.03778	1.7
233.00792	1.6
241.01390	3.8
242.02103	6.5
243.02953	19.9
244.03297	1.6
245.00880	2.0
245.04416	1.6
246.01591	1.9
247.02475	2.0
254.02092	1.2
255.03026	15.5
256.03317	1.6
257.00739	1.5
258.01794	5.7
259.02435	18.4
260.02997	2.3
269.00949	2.2
270.01651	7.1
271.02469	76.3
272.02832	6.9
275.01862	2.8
275.09085	1.3
286.01172	7.6
287.01959	68.3
288.02554	14.5
289.02502	2.8
297.00421	2.2
299.02029	2.1
300.02762	52.2
301.03397	9.5
303.01318	5.4
304.02197	3.7
314.00641	2.6
315.01462	58.0
316.02197	100.0
317.02710	10.2
331.01010	7.3
332.01706	69.5
333.02209	6.2
427.85471	1.1
447.07083	2.1
489.03851	1.7
489.10400	24.2
490.10376	3.0
503.08231	4.1
505.09933	43.3
506.10211	6.5
521.09241	14.2
589.09796	1.4
623.12982	1.6
635.03693	2.4
635.13940	30.6
636.14136	3.9
649.11981	13.5
650.12292	2.2
667.13013	79.3
668.13336	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	665.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43482	1.8
57.03321	2.3
59.01247	2.3
69.33578	16.7
83.01247	3.4
85.02819	4.5
87.00755	2.9
95.01260	2.5
98.19788	3.7
101.02289	1.8
109.02792	2.1
111.00774	9.0
121.02821	2.6
123.00732	16.0
124.01535	7.0
125.02338	28.7
126.02576	2.7
130.55104	2.1
139.03918	10.6
149.02301	6.8
151.00250	7.0
151.88184	2.1
153.01839	26.9
159.86018	1.9
163.92348	2.0
165.01855	3.9
166.02643	6.6
166.09210	1.9
167.03404	100.0
168.03792	4.1
168.99979	3.3
169.01340	47.2
170.01620	1.9
177.01857	5.0
191.01814	9.5
191.05490	4.7
195.03001	1.9
205.66347	2.0
303.04996	3.0
319.04547	78.3
320.04895	6.6
323.13397	3.1
331.06616	3.1
408.94397	2.2
473.07159	31.3
474.07391	5.5
578.04681	2.5
590.58984	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	663.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55114	0.5
57.27957	0.5
61.98697	2.3
64.59911	0.5
64.71806	0.6
71.01251	0.5
71.49153	0.6
83.40540	0.5
105.03338	0.9
125.02337	1.0
132.02060	9.4
133.02849	7.1
134.03682	3.1
137.02246	0.8
149.05952	1.4
153.05374	0.6
160.01569	52.5
161.02034	2.3
167.03586	0.5
169.01311	1.8
175.03917	81.5
175.94576	0.5
176.04192	3.3
177.01904	1.2
193.04933	3.7
219.71751	0.4
233.11392	0.6
244.96375	0.5
262.97739	0.5
310.19064	0.4
321.69223	0.5
437.31036	0.9
445.18173	0.5
455.31839	0.9
467.31415	0.8
469.33337	1.1
487.33966	0.8
589.35736	0.6
648.36768	1.4
663.39008	100.0
664.39331	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	663.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69266	0.3
61.98712	0.4
69.39862	2.3
74.52184	0.3
74.93013	0.3
95.04903	0.3
96.52778	0.3
105.03337	1.4
119.26661	0.4
132.02071	11.2
133.02864	7.5
134.03636	3.6
136.01610	0.7
137.02533	0.4
147.04411	0.4
149.05972	0.9
160.01572	64.4
161.01994	3.1
167.07088	0.4
169.01416	0.8
175.03926	88.7
176.04277	3.6
177.01836	1.3
178.02565	0.6
193.04980	4.2
204.20795	0.3
212.86374	0.4
244.45479	0.3
297.11371	0.8
391.13336	0.3
409.27182	0.5
414.75168	0.4
425.30411	0.5
437.30161	0.4
455.31616	1.3
467.31577	1.0
469.33234	1.2
487.35031	0.4
589.35687	0.5
648.36646	1.6
663.39020	100.0
664.39325	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14864	0.2
50.69735	0.2
57.03322	12.7
59.01241	0.4
61.98694	0.6
69.03293	0.3
69.25764	0.5
69.26177	1.6
74.98957	0.4
81.03338	1.1
81.49297	0.2
83.01255	3.3
91.33057	0.2
93.03337	0.6
95.04895	1.8
105.03339	3.9
109.02830	0.8
109.06499	0.4
113.67223	0.2
121.02789	0.3
123.08070	0.7
125.02336	76.3
126.02673	2.5
132.02026	0.5
133.02844	1.1
135.08112	0.3
137.02361	4.0
139.03864	0.5
139.11206	0.3
141.12794	0.3
145.02844	0.3
149.02370	0.8
151.03885	0.2
153.09157	0.3
157.12260	0.8
158.03578	0.2
160.01622	0.3
161.02348	32.4
162.02737	2.0
165.01866	0.6
166.02606	0.7
167.03401	0.8
169.01344	0.8
169.06630	0.2
169.12312	0.5
171.10184	0.2
175.03929	0.7
177.05484	3.3
179.03413	0.3
183.04483	0.4
185.11734	1.4
197.05945	0.4
199.03978	0.6
201.01869	0.5
201.05498	1.6
202.05835	0.2
203.03607	0.3
213.05498	0.4
215.12820	0.9
219.06624	0.7
225.05560	0.8
227.03479	0.9
229.01433	0.5
235.25851	0.2
241.04926	0.4
243.06613	0.7
261.07767	0.2
269.04517	4.1
286.04651	0.4
287.05591	6.0
288.05984	0.5
305.06705	2.4
327.25504	0.3
329.23242	1.2
357.26477	1.9
364.99536	0.3
373.25961	1.0
374.26245	0.6
375.27499	100.0
376.27850	12.0
376.32907	0.3
433.93713	0.2
525.30652	1.1
588.85004	0.3
663.33020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89856	0.4
57.03317	13.6
61.92361	0.4
61.98704	0.6
64.05475	0.4
69.38309	3.2
75.47382	0.4
81.03329	1.4
83.01248	3.1
93.03341	0.4
95.01276	0.5
95.04872	2.1
95.60458	0.4
98.20599	0.9
105.03339	4.3
109.02833	0.6
124.01517	0.7
125.02328	74.0
126.02633	2.2
132.02100	0.6
133.02789	0.7
137.02359	4.2
145.02742	0.5
145.06485	0.4
149.02295	1.0
151.00264	1.0
153.09081	0.6
160.01506	0.6
161.02342	32.9
162.02632	2.2
162.82626	0.5
163.03854	0.6
166.02544	0.6
167.03371	0.9
169.01334	1.6
169.12259	1.1
175.03876	0.6
175.16711	0.4
177.05464	3.3
178.99791	0.6
185.11720	0.9
199.03900	0.5
201.05356	1.1
203.03473	0.5
219.06470	0.8
225.05363	0.5
227.03433	0.6
229.01207	0.6
233.82306	0.5
243.02921	0.5
243.06555	0.5
245.04546	0.6
269.04544	5.3
271.02493	1.6
287.01987	1.8
287.05594	6.6
288.05917	0.6
305.06717	1.6
315.01501	1.6
316.02261	3.4
317.02985	0.9
329.23334	0.5
357.26514	1.7
371.06552	1.7
373.25949	1.4
374.26236	1.3
375.27487	100.0
376.27786	10.0
525.30530	1.0
609.12317	1.1
664.16986	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	663.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03572	1.3
55.01736	9.4
57.03306	6.7
68.99702	8.1
71.49012	2.9
79.01751	10.3
99.00761	3.9
99.08046	5.0
101.03870	2.0
119.59634	1.5
149.05994	15.8
150.73166	1.6
161.06029	2.1
166.06255	2.6
167.07050	41.8
168.07430	2.0
171.04439	24.9
172.04659	1.5
173.05981	1.9
183.08119	1.7
193.05009	26.6
199.03949	2.0
211.11201	2.4
233.09570	2.8
235.11229	5.8
238.03201	1.8
251.10811	1.8
253.12315	13.1
255.10187	3.2
266.02939	1.7
279.10141	3.8
297.11304	84.3
298.11652	6.9
301.08652	3.6
315.90201	1.9
319.09406	2.3
323.09222	4.6
335.26013	1.7
381.11359	2.1
383.16400	3.8
395.12729	7.9
405.14597	2.0
407.16687	2.3
427.15143	3.9
451.15417	8.5
467.14786	70.1
468.15106	9.9
491.14981	10.1
495.14444	31.1
496.14651	3.7
523.17218	5.4
527.17108	100.0
528.17285	17.8
549.15027	4.5
578.22510	5.7
586.94189	1.7
587.20215	3.8
632.56873	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	663.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80298	0.2
59.01237	1.3
61.98699	3.5
63.02265	0.4
65.00188	0.8
83.01263	0.6
93.03362	0.3
97.88680	0.3
103.65610	0.3
107.01263	1.7
108.02071	0.4
132.02080	1.3
135.00763	1.0
151.00262	1.7
160.94699	0.3
163.00270	0.6
164.01064	0.8
171.04388	0.4
183.04405	2.0
185.02368	1.0
186.67102	0.3
187.03984	0.4
190.95779	0.3
199.03889	0.5
200.04660	0.5
210.03262	0.3
211.03865	2.2
211.13445	0.3
227.03433	39.1
228.03807	3.2
233.11549	1.0
239.03477	1.1
255.02953	77.4
256.03473	9.1
257.04388	0.5
283.02496	5.2
284.03238	100.0
285.03674	10.6
519.40723	0.3
603.15240	1.3
663.17120	56.9
664.17493	12.5
664.28973	0.4
687.61584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02255	1.6
65.00191	0.9
71.49326	1.3
83.01296	1.5
95.01311	1.0
96.95858	1.2
107.01265	3.8
123.00746	1.5
125.02315	6.1
139.00294	1.2
151.00327	7.5
154.04259	1.0
161.47240	0.9
163.00327	1.0
165.01947	1.1
168.00612	1.2
169.01352	10.6
210.34790	1.0
229.05014	3.5
257.04535	4.2
285.04031	100.0
286.04355	9.0
297.19421	1.2
313.05667	47.3
314.06052	2.4
347.21603	1.1
573.21045	1.3
599.10199	4.0
600.11084	1.4
683.29565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76704	3.8
63.02282	6.8
65.00192	11.1
69.18359	3.4
71.01299	3.2
71.49111	6.0
83.01254	10.2
84.97009	3.8
87.00772	4.9
95.01254	5.1
99.00766	6.6
107.01280	19.0
107.62501	3.0
109.02853	7.4
111.00790	16.6
123.00780	20.7
125.02337	38.6
127.00291	4.2
136.98677	5.5
137.02328	17.8
139.00267	32.6
141.01915	4.4
149.02449	3.5
151.00262	74.3
153.01874	22.1
154.99762	20.2
159.04460	4.3
161.02298	5.7
163.00284	5.5
165.01863	8.4
165.98981	5.8
166.99788	34.2
168.00511	6.7
169.01344	38.3
175.00171	4.0
175.03882	4.5
177.01915	5.5
177.99046	4.7
178.99796	100.0
180.00258	7.4
180.97690	3.8
182.99243	7.6
187.03944	7.4
190.99796	6.0
193.01352	28.5
194.99272	30.4
197.00835	14.6
201.01901	3.7
203.03407	10.6
205.01398	5.2
206.99298	9.5
209.00848	9.3
211.02536	5.6
213.01863	7.1
215.03462	8.3
217.01320	4.0
219.02847	4.2
222.98781	12.5
223.99742	3.6
229.01430	3.8
231.02814	15.7
241.01410	5.3
243.02925	8.5
245.00897	5.0
247.02673	4.1
259.02463	27.5
261.00424	6.0
261.03900	5.1
271.02423	11.4
274.01166	5.3
275.02011	7.0
287.01962	50.2
288.02625	12.6
303.01602	15.8
305.02890	9.5
306.76575	3.9
312.99921	16.8
315.01425	60.8
316.02097	27.6
317.03015	44.7
330.00208	6.1
331.00922	87.1
331.05167	5.0
331.06680	5.9
332.01480	23.1
333.02563	46.9
348.01245	5.2
349.01999	94.4
350.02222	7.0
364.46771	3.4
479.08139	13.0
493.06198	5.7
495.07645	22.6
511.07181	12.8
629.08093	3.5
663.08264	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	661.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53786	0.7
59.01252	15.3
71.01261	2.4
71.49153	0.9
85.02805	0.9
89.02323	1.7
90.90085	0.6
93.45666	0.7
99.08047	0.6
101.02319	2.2
113.02341	1.6
117.45176	0.6
125.09629	0.8
127.11166	1.5
161.04424	1.2
171.10179	100.0
172.10515	3.9
183.13811	5.4
193.12292	1.1
211.13339	88.9
212.13631	6.2
235.08113	3.4
253.09232	6.9
407.19229	4.7
429.21216	1.8
447.22421	6.3
448.22812	1.1
513.94843	0.7
555.11914	1.0
601.32611	1.0
617.49652	0.7
661.16241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	12.1
61.98705	0.3
63.09774	0.3
66.58982	0.3
66.79324	0.3
81.03352	1.0
83.01270	3.6
85.99906	0.3
95.04900	1.6
98.48701	0.3
103.19664	0.3
104.82904	0.4
105.03338	3.6
109.02829	0.9
125.02338	74.1
125.09591	1.1
126.02662	2.1
127.11147	0.7
132.02074	0.6
133.02856	1.3
133.86044	0.3
137.02342	4.0
137.09628	0.8
139.03871	0.4
145.06419	0.3
149.02361	1.0
153.08920	0.3
153.12808	0.4
155.10684	0.9
157.61432	0.3
159.33011	0.3
160.01569	0.5
161.02353	30.9
162.02711	2.7
165.01772	1.0
166.02560	0.5
167.03412	0.8
168.68739	0.3
169.01440	0.5
169.34305	0.3
171.10179	3.3
175.03970	0.7
177.05482	2.2
179.03334	0.4
197.06046	0.6
199.04041	0.6
201.01782	0.4
201.05499	1.3
209.11694	1.0
219.06654	0.7
225.05551	1.3
227.03493	1.0
229.01395	0.8
229.14412	0.6
241.05072	0.4
243.06609	0.8
269.04559	4.8
270.05084	0.5
287.05624	5.4
288.05960	0.7
305.06702	3.6
323.78040	0.3
348.86914	0.3
355.25082	0.8
371.24228	0.7
373.25928	100.0
374.26236	10.9
435.61224	0.4
495.29855	0.7
523.29041	1.1
661.31860	0.7
667.35876	0.4
689.64343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71280	0.2
56.93905	0.2
57.03321	15.1
58.03647	0.2
59.01242	0.3
61.98695	0.7
63.92506	0.2
66.46588	0.2
69.03304	0.3
71.01248	0.3
71.34694	0.4
74.97906	0.2
75.00745	0.3
81.03329	1.5
83.01253	3.5
93.03342	0.5
95.04902	2.1
96.95885	0.6
105.03339	4.7
109.02835	0.9
121.02824	0.6
123.00752	0.3
123.04387	0.2
124.01591	0.4
125.02332	100.0
126.02665	3.0
132.02013	0.4
133.02863	1.5
137.02347	4.5
137.03371	0.4
139.03894	0.7
139.70981	0.2
145.02834	0.2
145.06491	0.3
147.04437	0.3
149.02354	1.4
151.03940	0.2
154.10735	0.2
159.04477	0.4
160.01575	0.6
161.02345	44.9
162.02745	2.2
165.01851	0.9
166.02596	0.5
167.03371	1.0
169.01353	0.5
169.06468	0.4
171.10208	0.5
172.05215	0.2
173.05991	0.4
175.03975	0.8
177.01872	0.2
177.05492	4.1
179.03432	0.5
181.05080	0.3
183.04482	0.5
185.02405	0.3
188.43309	0.2
191.03400	0.2
197.06053	0.7
199.03908	0.5
200.04506	0.2
201.01921	0.6
201.05519	1.6
203.03360	0.4
213.05530	0.5
217.04987	0.4
219.06575	1.3
225.05504	1.5
227.03470	1.0
229.01419	1.0
241.04990	0.6
242.05779	0.2
243.04213	0.3
243.06500	1.3
245.04527	0.3
261.07663	0.3
267.06445	0.2
269.04541	7.3
270.04944	0.4
271.02216	0.2
283.09824	0.2
285.03970	0.5
286.04584	0.6
287.05591	11.9
288.06018	1.4
305.06659	2.8
311.09302	0.4
313.23917	0.2
316.02280	0.3
329.06931	0.4
340.09390	0.4
343.11914	1.8
343.24905	1.5
355.11893	1.1
355.24771	0.5
373.25919	21.0
374.26160	1.9
466.65030	0.3
579.25549	0.2
602.12170	0.2
661.31061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	13.0
59.01246	1.7
61.98704	0.5
66.73774	0.5
67.51904	0.4
70.64927	1.4
75.62713	0.5
79.35722	0.5
81.03361	1.0
83.01250	2.7
87.00742	0.5
95.04893	1.8
96.95909	2.6
105.03352	3.3
109.02851	0.5
116.95498	0.5
123.08041	0.8
124.01576	0.5
125.02339	63.2
126.02670	2.5
132.47610	0.5
133.02827	0.8
137.02348	3.7
139.03978	0.8
139.11208	0.8
147.31151	0.5
149.02332	0.7
161.02353	28.2
162.02710	1.9
165.01791	1.2
166.02652	0.5
167.03389	1.0
169.12480	0.4
171.10266	0.8
174.47293	0.4
175.03961	0.5
177.05490	2.5
179.03386	0.5
185.11745	2.2
197.06050	0.8
197.11787	0.9
199.04007	0.6
201.01723	0.5
201.05511	1.6
209.11743	1.2
215.12842	2.6
217.04976	0.6
219.06554	0.9
227.03506	0.6
229.01266	0.7
243.06526	0.6
243.57339	0.5
269.04553	4.0
276.57318	0.5
286.04861	0.5
287.05588	4.3
297.68158	0.6
305.06580	3.6
306.07031	0.8
313.23703	0.6
343.24899	4.1
355.24866	2.0
371.24506	2.3
372.24844	2.7
373.25925	100.0
374.26242	11.7
397.00192	0.5
407.11673	0.8
465.23746	0.6
495.29279	0.6
523.29010	0.8
566.79016	0.5
661.31982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.1
63.02268	1.0
65.00194	1.1
73.65292	0.5
74.10252	0.4
78.95785	0.5
93.03333	0.5
96.84045	0.5
107.01277	2.1
107.30790	0.5
117.03345	3.9
119.04918	1.7
125.02259	0.5
125.78433	0.5
132.02057	1.1
135.00763	0.7
142.46126	0.5
145.02846	7.2
148.64914	0.5
151.00262	2.9
155.04918	0.5
161.70862	0.5
163.00331	0.6
164.01057	0.6
169.01375	0.9
171.10197	0.9
183.04485	2.9
185.02359	0.8
187.03918	0.8
199.03891	0.5
200.04692	0.5
211.03877	2.3
211.13367	1.1
226.02646	0.6
227.03455	42.9
228.03885	3.6
229.05042	1.2
239.03456	0.7
255.02969	76.7
256.03445	9.1
257.04489	0.6
265.44418	0.5
283.02481	11.2
284.03259	100.0
285.03815	16.0
455.09583	1.3
515.11945	5.7
516.12250	0.7
601.13727	0.8
661.15601	55.8
662.15942	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	661.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.9
61.98708	0.8
62.11676	0.7
63.02260	1.3
64.87890	0.6
65.00191	1.6
71.49242	1.1
83.01266	0.8
94.48518	0.6
107.01283	1.7
112.98782	0.6
117.03353	3.1
119.04907	1.8
132.02141	0.6
132.85110	0.6
135.00778	0.9
136.64328	0.6
138.30177	0.6
145.02859	7.7
151.00288	2.8
153.55507	0.7
163.00310	0.9
183.04443	3.0
183.06073	0.7
185.02477	0.8
189.05582	0.7
199.03975	0.7
211.03923	2.7
211.13351	0.8
215.03391	0.7
227.03448	43.2
228.03874	3.3
245.04619	0.8
255.02966	81.2
256.03485	8.8
283.02423	10.4
284.03250	100.0
285.03842	16.1
367.03589	0.6
367.67612	0.8
367.75620	0.8
448.67767	0.7
515.11798	5.2
601.13458	1.9
661.15607	61.9
662.16016	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	661.1559
Annotation	Kaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside
Peak:m/z	Relative Intensity
53.20486	0.3
59.01250	2.5
59.21775	0.4
63.02263	0.4
65.00208	0.5
70.04486	1.8
93.58737	0.4
101.20145	0.4
107.01258	1.7
108.02065	0.4
117.03345	5.1
119.04939	2.0
132.02068	0.9
135.00798	1.1
142.64772	0.4
143.04880	0.4
145.01872	0.3
145.02855	8.0
151.00273	1.8
163.00290	1.0
163.03928	0.7
164.01070	0.7
167.04872	0.4
178.99837	0.6
183.04419	2.4
185.02402	1.0
187.03955	0.6
196.05692	0.4
199.03912	0.5
211.03906	3.3
227.03445	42.9
228.03815	2.9
229.04926	1.0
239.03510	1.2
255.02957	78.1
256.03436	8.9
257.04477	0.9
283.02426	4.9
284.03247	100.0
285.03802	15.1
286.04510	0.5
333.32431	0.4
445.57529	0.4
455.09595	0.8
515.12054	4.0
516.12170	0.9
531.11493	0.4
601.13751	2.0
661.15582	46.9
662.15936	11.0
688.64252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.5
59.01251	7.6
61.98689	3.1
69.03297	1.2
69.42391	3.3
69.42812	1.7
71.01255	6.5
73.02829	1.4
80.02567	1.4
80.96385	0.7
81.03330	1.7
83.01237	1.5
83.04883	6.6
83.30286	0.7
84.02030	1.1
85.02827	2.2
87.00749	2.1
87.98532	0.8
89.02321	4.5
95.01250	1.5
95.04882	1.5
96.95885	1.3
97.06464	5.5
101.02316	5.8
113.02299	3.0
119.03400	0.8
125.02319	5.9
125.09608	1.3
133.10155	0.9
145.04964	1.0
146.95702	0.7
149.09566	1.1
151.00226	0.8
151.11179	19.1
152.11552	1.2
161.02359	2.0
161.04416	2.1
163.11205	4.8
164.11549	1.0
165.12772	2.8
167.03319	0.8
169.12242	92.4
170.12628	6.0
171.10202	1.7
183.13832	2.5
185.11777	2.7
191.10654	1.2
195.10229	2.4
197.11810	1.3
199.13283	0.9
209.11758	84.1
210.12108	15.9
211.13449	19.4
212.13693	12.9
213.11261	14.8
213.13829	4.3
214.11691	0.8
227.12822	11.2
228.13150	2.6
235.08159	3.1
240.95984	0.7
253.09245	8.3
254.09535	1.2
255.09627	0.8
311.22455	0.9
371.24359	4.2
372.24643	1.0
431.19159	3.2
447.22202	1.2
449.20251	11.6
450.20410	0.9
497.27368	1.4
641.32336	4.2
659.32813	100.0
660.33203	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	659.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	11.1
59.01243	1.2
59.63598	0.3
69.03339	0.4
69.50642	0.3
69.61909	0.3
71.01255	0.7
73.02805	0.6
81.03336	1.1
83.01259	2.8
83.04915	0.5
88.98653	0.4
93.03362	0.4
95.04895	1.3
96.95901	1.1
97.06470	1.4
105.03340	4.7
109.02850	0.7
121.02830	0.5
125.02335	63.5
125.09618	1.3
126.02694	1.7
131.07487	0.4
132.02061	0.5
133.02841	1.2
137.02347	4.3
137.09628	0.4
139.03876	0.7
139.11150	1.2
141.12737	0.4
149.02336	0.7
151.03931	0.5
151.11133	0.4
155.10622	0.6
160.01671	0.5
161.02347	26.7
162.02788	1.4
165.01811	0.8
167.03365	1.0
169.01318	0.8
169.12201	0.6
171.10179	3.7
177.05460	2.1
185.02577	0.4
185.11771	5.7
195.10168	0.9
197.06013	0.6
197.11748	1.2
199.03896	1.0
201.01900	0.7
201.05463	1.2
203.03459	0.4
209.11763	5.3
210.12122	1.8
211.13461	2.8
212.13687	2.2
213.05577	0.4
213.11272	1.3
213.13927	0.5
214.12071	0.7
215.12772	0.6
217.04971	0.6
219.06685	1.0
221.04546	0.3
225.05550	0.4
227.03487	0.6
227.12827	1.4
229.01326	0.7
241.05176	0.5
243.06552	0.5
243.15961	0.7
253.09294	0.7
269.04581	3.0
270.04849	0.4
285.04053	0.4
287.05612	3.7
305.06668	3.2
311.22235	0.5
341.23227	4.3
342.23627	0.4
343.42459	0.4
353.23340	1.2
370.41888	0.4
371.24368	100.0
372.24716	9.7
493.27982	0.4
521.27527	0.7
615.33093	0.5
659.31903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	10.7
58.03680	0.7
59.01244	2.7
61.98697	3.1
66.99905	0.7
70.87477	2.0
70.87874	0.7
71.01241	1.3
73.02817	0.8
75.39054	0.7
81.03335	1.1
83.01268	1.9
83.04897	2.4
89.02309	0.8
90.52020	0.7
95.04915	1.5
96.95869	3.9
97.06480	1.1
101.02307	1.2
105.03344	2.9
109.02847	0.9
119.04919	1.2
125.02335	56.9
125.09597	1.3
126.02644	1.0
131.17117	0.8
133.02888	1.0
137.02345	3.4
139.03943	0.9
139.11162	1.5
148.31158	0.8
155.10712	1.0
161.02347	24.4
162.02794	1.1
163.11147	1.4
165.12796	0.7
166.02644	0.9
167.03419	1.1
167.10629	1.0
169.01405	1.2
171.10176	4.2
177.05478	2.3
179.03477	0.9
185.11739	9.5
195.10214	5.0
197.05974	0.9
197.11801	4.3
199.03909	1.7
199.13370	1.9
201.05521	1.7
209.11771	27.4
210.12123	8.8
211.13435	10.5
212.13704	7.6
213.11314	4.7
213.13878	2.1
214.11911	1.1
225.11275	1.7
227.12823	6.0
228.13200	0.8
243.16020	1.1
251.12863	1.2
253.09204	2.4
254.09750	0.7
269.04526	3.0
287.05484	4.3
305.06555	2.6
311.22241	0.8
341.23224	3.9
353.23169	1.4
371.24362	100.0
372.24719	9.6
521.27466	1.2
541.66156	0.9
570.79773	0.8
641.32031	1.2
659.32635	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	658.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33843	5.1
59.01222	5.3
61.98711	43.4
71.49111	5.0
76.94147	4.1
78.29467	4.9
79.01768	7.8
99.08038	8.6
113.05969	7.1
137.05980	6.7
145.02824	6.2
149.05949	8.2
167.07039	54.3
171.04408	6.2
183.13857	10.2
184.14098	6.2
193.05045	14.0
207.10286	4.5
208.10535	7.2
208.69284	4.6
209.11819	30.8
210.12090	18.4
211.11420	8.5
211.13342	52.2
212.13686	17.7
227.12805	7.3
246.04073	6.4
253.09515	5.2
253.12311	15.0
255.10168	15.7
265.18564	5.0
286.44092	5.8
297.11337	100.0
298.11710	16.7
339.12396	9.3
411.20868	8.0
427.15680	10.2
552.67719	5.5
595.22955	9.3
596.73505	4.5
658.34802	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	659.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03247	0.2
57.03322	14.5
58.13969	0.2
60.03501	0.2
69.19224	2.1
81.03313	1.7
83.01250	3.9
93.03333	0.9
95.04890	1.8
97.02846	0.3
98.19727	0.5
105.03337	4.9
108.02023	0.5
109.02850	1.3
119.04924	0.3
121.02826	0.8
123.04457	0.4
124.01547	0.5
125.02335	100.0
126.02667	2.9
131.04924	0.2
132.02069	0.5
133.02861	1.4
137.02342	6.6
138.03081	0.3
139.03896	0.7
145.02861	0.3
145.06483	0.3
147.04413	1.0
148.05197	1.0
149.02324	1.1
149.05978	0.3
150.03075	0.3
151.03918	0.9
159.04431	0.7
160.01590	0.5
161.02348	43.4
162.02785	1.9
162.06657	0.2
164.01103	0.6
165.01854	2.3
165.05409	0.3
166.02620	0.4
167.03384	0.8
171.04459	0.4
173.02367	0.9
173.05977	0.3
174.03133	1.0
175.03888	0.8
176.04762	0.4
177.01988	0.2
177.05489	4.0
179.03369	1.2
180.04193	0.4
183.04431	0.6
185.02350	0.4
187.03932	0.3
188.04646	0.4
191.03418	2.1
191.05052	0.3
191.05591	0.3
191.06990	1.9
197.06049	0.6
199.03947	0.6
201.01910	0.7
201.05450	2.0
202.02576	0.5
203.03371	0.4
206.05690	0.5
209.11746	0.4
214.02728	0.3
215.03387	0.4
217.05011	0.3
219.06541	1.3
220.03745	0.6
221.04309	0.4
225.05576	1.1
227.03499	0.6
228.80586	0.3
229.01378	0.6
229.05016	0.3
235.05904	0.4
237.05553	0.3
238.04724	0.7
239.07323	0.3
241.05019	0.4
243.06555	1.1
245.04553	0.4
251.07057	1.1
252.94931	0.2
261.07889	0.3
265.04987	0.3
267.06604	1.6
268.07315	0.3
269.04526	3.0
277.05264	0.2
279.06631	0.9
281.91037	0.2
282.08984	0.8
285.04269	0.3
287.05624	4.9
288.05978	0.4
294.05414	0.5
294.08798	0.4
295.06119	0.4
297.11481	0.4
305.06714	5.7
306.07193	0.3
308.06796	0.5
309.07648	0.5
322.08301	0.6
323.05609	1.1
323.09253	0.9
326.07889	0.6
327.08746	0.4
327.12430	0.5
338.07993	1.4
341.10257	5.3
342.10693	0.8
353.10306	8.4
354.10617	0.9
371.11346	10.2
371.24136	1.1
372.11728	1.0
384.43640	0.3
426.34988	0.3
459.14868	0.3
463.14090	0.5
475.14020	0.5
493.15036	0.3
592.43304	0.3
619.35095	0.2
629.16522	0.5
659.18335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.3
59.01247	3.0
69.03344	0.4
70.81853	0.9
71.01254	2.9
73.02811	0.4
80.02551	1.1
81.03319	1.0
83.04887	3.9
84.02044	0.7
85.02822	0.9
87.00772	0.5
89.02319	2.0
95.04905	0.7
101.02315	3.2
109.06488	0.6
110.71694	0.3
113.02311	1.3
119.03391	0.7
125.05978	0.6
131.90797	0.3
135.08049	0.5
145.04965	0.3
161.04466	1.0
163.11201	3.4
165.12752	2.5
167.10672	0.5
167.14314	0.7
171.10179	1.3
179.05527	0.5
181.12283	0.8
183.13829	6.8
191.10698	0.6
193.12300	1.6
199.13274	0.6
203.36133	0.3
209.11769	94.6
210.12128	6.4
210.14023	0.5
211.13332	100.0
212.13667	7.5
227.12836	14.3
228.13229	0.8
235.08208	3.3
240.64395	0.3
249.14856	1.7
253.09258	9.8
254.09566	0.4
341.24747	0.3
385.23938	0.5
403.24707	0.9
445.20758	1.2
447.22333	4.5
447.35342	0.3
448.22604	0.6
476.69336	0.3
561.78931	0.3
621.32739	1.1
625.01813	0.3
639.33362	0.7
657.34406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.3
58.00467	0.3
59.01247	2.9
59.63155	0.2
60.59661	0.2
69.03322	0.5
70.36172	0.8
71.01252	2.9
73.02809	0.9
78.10769	0.3
80.02530	0.8
81.03324	0.9
83.01260	0.6
83.04895	3.5
84.02023	0.6
85.02803	0.8
87.00752	0.4
89.02307	1.8
89.31844	0.2
95.01264	0.3
95.04899	0.6
100.10813	0.3
101.02315	2.3
105.01999	0.2
110.68424	0.3
113.02351	1.3
119.03383	0.6
125.05997	0.4
125.61285	0.2
135.08070	0.6
161.04477	1.4
163.11206	2.7
164.11586	0.3
165.12761	2.0
167.10713	0.3
167.14276	0.7
171.10205	1.5
181.12260	0.6
183.13832	6.6
184.14101	0.5
191.10695	0.8
193.12233	1.4
199.13327	0.5
209.11771	81.1
210.12123	5.2
211.13335	100.0
212.13676	7.0
225.11641	0.3
227.12837	12.3
228.13188	0.7
235.08180	3.3
249.14949	1.4
249.26892	0.3
253.09250	9.0
254.09601	0.5
257.25708	0.3
403.24823	0.9
421.25763	0.5
429.21191	0.5
445.20715	0.7
447.22437	3.1
448.22867	0.4
463.21414	0.3
516.61981	0.3
621.33075	1.1
639.33875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12804	0.3
56.96841	0.3
57.03312	0.4
59.01251	3.9
70.35939	0.4
70.36262	0.7
71.01249	3.3
73.02797	0.5
78.21266	0.3
80.02541	1.0
81.03320	1.3
83.04895	4.5
83.69154	0.3
84.02029	0.9
85.02807	0.9
87.00743	0.9
89.02319	2.5
95.01236	0.4
95.04885	0.6
97.32069	0.3
99.00762	0.3
101.02316	2.8
109.06494	0.3
113.02335	1.7
119.03381	0.4
125.05983	0.3
135.08029	0.6
143.03360	0.3
145.04860	0.6
161.04463	1.3
163.11205	3.8
165.12747	2.7
167.14316	0.6
171.10164	1.7
181.12222	0.8
183.13826	6.5
184.14076	0.3
191.10693	1.2
193.12291	1.4
199.13342	1.3
209.11769	97.5
210.12105	6.8
210.14014	0.5
211.13332	100.0
212.13686	7.7
212.29312	0.3
227.12840	16.2
228.13185	1.0
235.08209	3.1
249.14981	1.5
253.09273	9.3
254.09683	0.6
403.24783	1.0
421.25278	0.5
424.95163	0.4
429.21149	0.4
445.20691	1.1
447.22263	3.1
448.22922	0.4
463.21829	1.0
511.17352	0.3
518.61554	0.3
621.32935	1.3
639.33862	1.0
657.35114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63413	0.4
58.00470	0.5
59.01254	6.0
69.03326	0.5
69.39854	4.1
70.85246	0.5
71.01253	3.3
83.01253	0.7
85.02818	1.0
87.00756	1.1
89.02299	3.5
89.02755	0.4
95.01245	0.5
97.06484	0.8
101.02318	3.4
111.08022	1.2
113.02305	1.9
113.61992	0.5
133.04936	0.5
145.04958	0.9
161.04474	1.7
163.11205	0.5
165.12756	7.6
167.14322	0.7
183.13820	100.0
184.14172	6.2
193.12274	1.9
207.76556	0.5
209.11774	5.8
211.13326	74.0
212.13686	3.9
227.12833	6.8
228.13107	0.7
235.08188	3.4
253.09268	5.7
271.02454	1.0
295.16074	0.5
300.02734	1.7
359.98154	0.5
399.17780	0.4
419.23065	0.8
445.20743	2.4
447.22461	2.6
463.16180	0.5
463.21924	5.3
464.22311	0.7
657.34833	68.2
658.35181	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	657.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85131	2.9
59.01252	36.0
61.98699	7.1
68.99687	11.7
69.38885	2.5
70.03990	11.9
70.71873	2.5
71.01263	4.6
75.00745	6.9
85.06470	6.2
87.00755	15.2
87.04398	4.7
99.00752	22.8
99.04372	17.3
109.02836	4.6
111.00773	5.4
111.04356	3.5
113.02325	5.8
113.05971	100.0
114.06309	5.7
122.03601	18.1
137.05983	47.3
139.00244	8.4
139.03893	24.2
139.07611	4.3
141.05475	58.7
143.04951	5.3
147.04410	14.3
171.04425	13.9
173.06036	6.4
181.04951	10.2
183.06563	74.9
183.13815	10.0
184.06897	3.9
193.04868	3.6
195.06514	18.3
205.10115	4.6
209.11739	50.6
211.13342	91.8
212.13620	4.7
213.07619	14.7
223.05937	3.1
225.11470	2.6
227.10785	2.7
227.12833	11.0
229.10254	3.3
233.09631	9.1
236.28812	2.9
245.09680	3.1
252.07857	6.3
253.09055	6.2
257.09738	7.4
267.10272	5.3
269.08142	7.2
271.09735	32.4
272.10129	3.0
273.09189	20.0
275.10699	5.0
301.08698	12.0
311.09134	17.1
313.10809	29.2
319.09720	6.5
327.13818	2.7
329.23315	5.8
357.15005	4.3
371.16467	4.5
397.14615	3.9
399.15945	5.0
415.15509	36.0
416.15869	5.5
417.17319	3.0
423.16003	8.5
441.13242	12.2
443.14993	23.5
444.15302	3.0
461.15988	37.7
462.16290	8.3
467.14856	9.8
485.16071	3.6
511.13922	18.6
529.14923	10.2
581.21643	6.3
607.19653	4.2
625.10883	5.5
625.20782	86.4
626.21106	19.9
657.23199	16.6
657.33698	5.2
658.23749	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	657.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08308	3.6
55.11089	3.2
58.53190	3.2
59.01251	33.5
61.98698	22.3
66.46297	3.3
68.99676	10.7
71.01227	9.7
75.00746	7.9
83.01289	3.6
85.02811	4.2
85.06467	4.6
87.00751	15.2
87.04356	4.6
89.02332	9.0
97.06480	6.4
99.00748	21.2
99.04384	13.0
101.02338	6.4
104.33067	3.6
109.02832	3.9
109.06533	3.9
111.00761	5.6
111.04373	5.3
113.02295	9.3
113.05962	98.8
122.03616	14.6
125.02324	4.6
137.05978	45.7
139.00323	6.2
139.03888	25.4
139.07603	4.0
141.05479	63.9
147.04404	13.2
157.04645	3.7
165.05420	4.4
167.03496	4.2
171.04434	16.0
173.06018	8.8
181.04942	17.8
183.06555	77.3
184.06841	4.6
195.06497	19.9
205.10207	5.3
209.11812	31.2
211.13353	37.6
213.07628	16.0
227.12839	8.3
233.09761	8.6
252.07770	5.0
253.09077	4.3
255.23244	9.0
256.23526	11.1
257.09790	9.1
257.23914	8.0
258.24002	4.5
269.08096	6.4
269.11786	4.1
271.09753	28.9
272.09958	3.7
273.09235	24.0
275.10696	5.3
301.08749	18.3
308.86853	3.4
311.09241	11.1
313.10785	23.9
314.10995	4.5
319.09631	9.8
327.13965	4.8
357.15076	4.5
371.16345	4.9
397.14325	8.7
399.15866	8.0
400.14011	6.8
415.15491	43.3
417.15121	4.3
423.15833	6.3
441.13266	10.6
443.14929	18.2
461.16077	37.0
462.16409	9.9
467.14954	7.2
511.14041	21.4
512.14111	4.0
529.14734	8.4
581.21625	10.1
607.19568	5.4
625.20740	100.0
626.21002	22.8
657.23438	20.6
657.33978	6.8
658.23621	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	657.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.7
59.01245	26.2
61.98701	65.2
65.00242	1.5
67.01759	1.7
68.89150	1.5
68.99676	9.2
70.40578	2.1
70.40895	4.7
71.01255	1.8
71.04879	3.1
71.76227	1.8
75.00738	4.4
83.01262	2.7
83.04909	2.3
85.02821	2.5
85.06459	5.4
87.00744	11.5
87.04398	5.0
95.04881	2.0
97.02791	2.0
97.06468	4.2
99.00752	17.5
99.04406	16.2
109.06431	2.8
111.00757	6.6
111.04410	5.0
113.02325	8.6
113.05962	100.0
114.06285	2.6
122.03619	25.4
125.02271	2.6
137.02338	3.1
137.05974	62.1
139.00313	8.3
139.03922	29.4
139.07518	5.2
141.05470	77.6
142.05756	3.1
142.27014	1.9
143.04950	5.8
147.04385	11.6
162.32019	1.8
165.05513	2.9
166.06183	2.7
167.03395	3.5
167.06937	2.2
167.77907	1.7
169.08592	6.2
171.04404	19.1
172.04752	2.4
173.05952	8.8
180.04271	2.7
181.04956	16.2
183.06554	74.9
183.13853	2.4
184.06848	3.6
188.30684	1.9
193.04893	2.1
195.06552	44.4
196.06807	2.5
199.03922	1.8
205.10030	3.9
206.79005	1.7
209.11780	16.5
211.13341	22.8
212.13693	1.8
213.07617	28.8
217.10117	1.9
225.05652	1.9
227.12869	2.9
233.09697	13.1
239.06976	2.8
251.10812	1.7
252.07852	5.2
253.08795	5.6
254.09404	3.3
257.09686	5.5
265.08673	2.7
267.10303	4.4
269.08148	6.8
269.11682	3.7
270.08875	2.8
271.09790	37.0
272.10138	3.8
273.09174	16.3
275.10776	2.5
285.12885	1.8
295.09790	2.3
301.08768	8.7
311.09265	14.7
313.10806	29.5
319.09698	6.1
327.13965	2.7
329.15753	2.1
338.12961	1.9
355.13199	3.0
357.14844	4.1
371.16577	6.9
373.14319	2.7
383.12863	3.7
397.14285	4.2
399.15878	6.9
414.15250	2.0
415.15454	36.3
416.15759	3.6
417.17038	3.7
423.16107	3.5
441.13351	10.2
443.14966	52.1
444.15250	7.9
461.15979	28.9
462.16019	4.3
462.70779	2.2
467.15085	6.7
468.14349	2.0
475.17374	2.8
511.13864	15.2
512.14264	3.8
529.15204	7.6
543.16809	2.2
581.22046	7.1
607.20056	4.2
625.20715	76.8
626.21198	18.5
657.23444	29.0
657.33643	2.4
658.23651	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	656.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52911	0.4
57.03320	0.4
59.01239	1.6
59.09814	0.4
61.98701	23.4
63.02261	0.8
65.00190	1.7
69.26118	0.4
70.89206	0.7
70.89541	0.4
71.01246	1.3
73.02789	0.5
83.01258	1.3
83.04900	0.7
84.18726	0.4
85.02822	0.9
89.02313	0.8
93.03341	0.7
96.95898	0.6
101.02322	0.8
107.01281	4.2
107.58083	0.4
108.02040	1.6
109.02811	1.8
109.06478	1.0
113.02348	0.7
117.03326	1.0
119.04900	3.1
121.02819	2.8
125.02315	2.6
133.04408	0.4
135.00784	0.9
136.23503	0.4
145.02840	3.9
147.04451	0.4
148.01617	0.9
149.02327	0.8
151.00270	15.6
159.16501	0.4
161.02327	0.6
163.00267	3.2
163.03900	1.4
163.11183	0.5
164.00974	0.7
169.01358	1.8
171.10196	0.9
178.99780	9.9
183.13907	0.5
185.11774	0.7
187.03958	0.8
192.00613	0.5
199.03911	0.6
203.03516	0.5
207.10201	1.7
209.11772	7.2
210.12190	0.8
211.03996	1.3
211.13330	4.9
215.03549	0.6
225.11264	1.4
226.02681	1.4
226.11684	0.5
227.03447	3.2
227.12840	2.6
229.05034	1.2
235.08260	0.6
243.02983	9.6
244.03532	0.8
245.04543	1.9
249.14983	0.6
253.09354	0.8
254.02194	1.9
255.02972	25.7
256.03381	2.5
257.04312	0.6
271.02469	49.9
272.02933	5.1
273.03925	2.0
283.02444	1.8
299.02057	1.0
300.02744	93.3
301.03467	57.9
302.03824	4.9
391.24606	0.6
401.23337	1.8
402.23535	0.7
419.24231	0.9
447.09311	30.1
448.09674	2.7
593.12994	100.0
594.13318	18.3
621.36957	0.4
637.32001	2.9
638.32678	1.7
648.32324	0.5
655.33502	0.9
656.16125	1.0
656.34052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.6
59.01254	19.3
61.98681	1.9
69.03319	2.2
71.01251	16.0
71.04893	1.3
71.35963	2.4
73.02810	2.1
80.02507	1.1
81.03332	2.0
83.01260	3.2
83.04878	3.8
85.02816	4.8
87.00744	3.8
89.02316	8.2
95.01241	1.2
95.04925	2.7
97.02827	7.8
97.06451	1.6
99.00736	2.0
100.19135	1.2
101.02313	12.3
109.06476	20.1
110.03627	1.3
113.02351	6.1
119.03362	1.9
121.54205	1.4
123.08088	1.1
125.02283	1.1
125.09608	3.6
135.08047	3.7
136.05150	2.0
142.02600	1.4
145.04916	2.9
158.98235	1.1
161.04407	3.2
161.09572	2.6
163.11230	10.5
171.10115	4.9
179.10628	1.4
181.12239	4.2
183.13823	7.2
185.11795	14.0
189.09137	1.5
193.12263	2.5
203.14391	1.8
205.12238	2.1
207.10204	55.9
208.10442	3.0
209.11784	12.9
211.13339	100.0
212.13708	6.0
221.15413	4.6
223.13306	2.5
225.11290	31.0
226.11612	2.3
227.12660	1.1
231.13937	1.3
233.11720	2.9
235.08218	7.8
247.13348	4.6
249.14952	4.0
251.12918	5.5
253.09236	11.8
263.16501	1.5
273.14990	1.3
275.16495	1.4
311.23859	1.2
321.22415	1.5
329.24899	2.5
337.21799	1.1
339.23361	7.1
355.22733	3.9
357.24307	2.9
373.23831	8.1
375.21677	1.6
383.22238	19.7
384.22430	2.4
391.24774	5.6
401.23300	40.7
402.23657	5.8
419.24463	16.5
420.24780	2.3
443.19342	1.7
447.22144	3.1
461.20377	6.0
609.32666	7.6
611.30994	3.7
619.31177	8.6
627.34058	2.2
637.32275	78.7
638.32562	12.6
655.33313	38.5
656.33875	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	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.9
57.03324	2.1
59.01244	17.7
61.98699	1.5
63.92700	1.1
66.43873	1.0
69.03300	1.4
71.01248	18.3
73.02805	3.7
79.05962	1.3
81.03336	3.5
83.01250	2.5
83.04909	4.4
85.02813	5.7
87.00751	4.9
89.02320	9.8
93.03337	1.5
95.01270	2.1
95.04903	2.9
97.02834	5.0
97.06447	3.2
99.00758	2.3
101.02322	12.0
106.04142	1.7
107.04902	1.3
109.06470	22.3
113.02350	6.6
119.03360	2.0
121.06487	2.0
125.09589	4.1
129.28952	1.2
135.08054	4.2
142.02637	1.4
145.04968	1.4
161.04407	3.9
161.09615	1.4
163.11176	13.0
165.12939	1.2
171.10184	7.4
181.12254	3.4
183.13809	9.6
184.14157	1.5
185.11751	16.2
193.12184	2.1
205.12173	2.8
207.10194	57.7
208.10561	4.1
209.11696	8.5
211.13324	100.0
212.13678	5.0
213.14996	1.5
221.15398	4.5
223.13309	2.4
225.09045	1.7
225.11256	36.6
226.11577	2.5
227.12802	1.7
231.13782	1.5
233.11955	2.2
235.08215	8.6
243.12311	1.5
247.13364	4.9
249.14938	4.7
251.12862	5.5
253.09273	10.0
254.12784	1.2
263.28528	1.2
303.89877	1.2
329.24838	4.3
339.23123	6.6
340.23520	1.9
355.22638	2.8
357.24335	4.7
365.21072	2.8
373.23792	9.8
375.25607	1.7
383.22244	22.6
384.22565	3.1
391.24899	7.6
401.23306	40.0
402.23648	4.6
419.24316	17.1
420.24713	2.2
443.19156	3.7
447.22449	3.5
461.20227	9.4
475.26904	2.8
493.27844	1.4
609.32861	8.1
610.32953	1.3
611.30652	2.1
619.31219	8.9
620.31403	2.7
627.34088	2.5
637.32257	80.3
638.32666	15.8
655.33197	35.1
656.33771	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	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58631	2.2
52.99272	2.5
58.57673	3.0
59.01245	100.0
61.98697	21.6
62.04678	2.1
62.05370	2.2
71.01255	5.0
72.69717	2.1
77.04256	2.2
85.83118	2.7
97.02791	5.6
98.20568	6.4
99.00746	3.4
101.02334	5.5
109.06458	10.4
111.00745	2.0
112.36951	2.1
119.65773	2.3
122.90436	2.9
125.02330	2.8
141.01598	63.7
143.75648	2.6
163.11186	5.7
185.11678	6.8
207.10159	27.3
209.11757	8.0
211.13312	41.6
225.11328	15.2
253.09117	4.5
275.06235	4.2
355.24472	2.3
383.22025	2.9
391.19879	2.5
401.23480	3.4
419.24319	3.3
453.34613	2.6
461.20343	5.8
535.27643	5.3
619.31067	3.7
637.32263	14.3
655.33008	14.3
656.33856	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	655.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14662	1.9
69.18867	21.7
73.89189	1.7
85.02825	2.3
106.51487	2.0
111.00729	2.8
151.00247	6.1
178.57196	1.9
178.99779	5.6
191.05540	8.0
243.02898	2.6
255.02876	8.3
270.01901	3.0
271.02414	28.6
272.02814	2.8
287.01987	5.4
300.02737	32.8
301.03442	17.9
316.02267	37.9
317.02829	10.3
421.42261	2.1
463.08792	100.0
464.08926	10.9
575.67847	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	655.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53490	0.7
59.01230	0.9
61.98655	2.2
65.00182	1.5
70.14820	2.0
70.15217	1.4
71.01213	1.0
74.40598	0.6
80.37849	0.6
81.03294	0.8
83.01205	1.4
96.95844	1.5
98.20518	0.9
107.01223	2.6
109.02774	2.3
117.03280	0.7
124.01472	2.4
125.02338	4.3
137.02316	5.4
145.02811	1.0
151.00282	11.1
161.02383	0.7
163.00253	2.6
164.01059	1.5
165.01779	1.0
167.03371	0.8
169.01291	3.1
175.03844	0.7
178.99786	12.3
187.37265	0.7
190.92155	0.7
191.03328	0.9
192.00598	0.9
199.03740	1.1
203.03409	1.6
204.04149	1.1
209.11763	4.7
214.02682	7.0
215.03308	1.8
227.03473	1.4
232.03621	0.8
242.02222	4.8
243.02881	4.0
259.02441	7.1
270.01715	7.6
271.02444	46.7
272.02844	2.9
283.33328	0.7
287.01974	28.4
288.02496	3.4
299.01959	2.2
315.01523	4.0
316.02216	100.0
317.02893	26.2
318.03293	1.4
445.07599	1.0
463.09085	3.0
505.10019	12.6
505.17160	0.5
506.10159	1.2
555.17853	0.8
637.15485	15.4
638.15875	1.8
655.16693	54.4
656.16986	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	655.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.4
59.01249	1.1
61.98698	1.0
63.02269	1.6
65.00178	2.8
69.47796	3.1
71.01252	0.7
81.16246	0.4
83.01278	2.0
96.95890	1.7
96.96832	0.5
103.92123	0.4
107.01260	6.4
107.01890	0.7
109.02835	4.4
117.03392	0.9
121.02869	0.5
123.00803	0.6
124.01575	3.1
125.02352	3.5
132.29782	0.5
134.03630	8.4
135.00758	0.9
136.64500	0.4
137.02341	9.5
149.02357	0.5
151.00267	22.1
152.00851	1.0
159.04503	0.5
161.02322	1.0
163.00299	2.8
164.01056	2.0
165.01849	1.3
166.02484	0.5
169.01353	4.2
171.04520	0.5
176.09735	0.4
178.99776	20.5
181.13010	0.5
187.03957	1.3
190.99969	0.7
191.03413	0.5
192.00542	1.4
193.01273	1.1
193.05013	4.1
199.03879	1.2
203.03477	3.2
204.04056	0.6
213.01932	0.9
214.02652	6.5
215.03458	2.1
217.01405	0.5
217.04984	0.7
227.03455	1.7
231.02902	1.1
232.03777	0.6
242.02170	5.3
243.02954	5.3
244.03438	0.5
255.02933	0.9
259.02472	7.7
260.02988	0.6
261.04071	0.6
263.67743	0.5
270.01712	6.1
271.02469	41.2
272.02838	3.9
287.01974	31.4
288.02457	3.1
299.01981	0.7
300.02658	1.3
315.01477	14.1
316.02213	100.0
317.02942	62.5
318.03418	3.9
331.04630	2.1
359.92221	0.5
447.09225	1.5
461.07196	2.7
479.02350	0.4
479.08218	9.3
479.14590	0.7
480.08777	0.7
655.13000	43.3
656.13354	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	653.4269
Annotation	Notoginsenoside R8
Peak:m/z	Relative Intensity
59.01250	79.2
70.86549	3.0
71.01253	71.4
72.99172	4.8
78.95803	4.8
85.02828	5.0
87.00795	3.5
89.02320	84.3
98.19852	6.7
101.02322	21.5
113.02316	16.0
119.03412	18.4
131.03360	3.6
143.03412	8.0
148.35695	2.9
149.04436	3.3
161.04469	7.1
179.05522	38.8
209.11639	3.1
310.71814	3.0
473.36380	100.0
474.36780	15.9
605.14563	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	653.3896
Annotation	Cilistol i
Peak:m/z	Relative Intensity
53.42222	0.7
61.98688	1.8
63.31684	0.5
66.25768	0.7
67.48121	0.6
69.67484	0.6
71.01245	1.4
84.08056	0.6
85.02808	0.6
87.00738	0.7
90.11053	0.6
97.36320	0.6
98.20580	1.3
113.02319	0.9
121.06426	0.9
125.02251	0.6
126.42737	0.5
135.08058	1.5
136.05186	1.1
138.14772	0.6
139.11240	0.9
141.09010	0.7
149.06003	4.9
150.06763	78.3
151.07133	3.6
161.09641	0.6
162.06769	1.5
163.07556	12.8
164.08344	17.1
165.08759	0.8
167.38435	0.6
177.09109	0.8
178.09877	2.0
179.10687	36.5
180.11032	2.2
193.83461	0.6
207.10176	0.8
209.11745	1.5
211.13391	2.1
309.24323	1.4
311.22241	20.1
312.22522	2.1
316.08566	0.6
325.49475	0.6
458.30484	1.0
473.32675	5.7
474.33179	1.0
476.31458	4.5
490.32956	7.9
491.33777	43.7
492.34122	6.7
505.35373	1.8
533.34766	1.8
653.39075	100.0
654.39435	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	653.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.7
57.03320	2.0
58.00460	2.0
59.01248	38.5
60.01575	0.6
61.98703	0.5
62.99032	0.3
68.99699	0.5
69.03326	2.4
71.01251	37.8
71.49877	0.6
72.01569	0.6
72.99178	3.1
73.02818	5.8
75.00738	1.1
79.01759	1.7
81.03343	1.9
83.01254	4.4
83.04903	0.5
84.02048	0.3
85.02816	9.5
85.03300	0.6
85.99966	0.6
87.00742	8.8
87.04396	0.5
89.02315	33.4
90.02668	0.5
91.03851	0.8
93.03387	0.4
95.01263	2.7
95.04877	0.4
97.02832	6.3
99.00758	2.3
99.04378	0.4
99.08058	0.4
101.02319	32.3
102.02647	1.0
102.45702	0.3
103.03884	0.3
108.65730	0.3
109.02825	1.1
111.00774	0.6
111.04408	1.5
113.02327	15.2
114.02651	0.5
115.03890	0.9
119.03382	10.8
121.02826	0.9
123.04427	0.5
125.02332	13.4
126.02689	0.5
131.03391	1.2
133.04967	1.2
138.21992	0.3
139.03917	1.1
139.07541	0.8
141.01823	0.9
143.03392	6.1
147.04402	0.4
149.02414	0.3
149.04471	0.8
149.05980	1.8
153.05510	0.6
161.04463	7.7
163.03934	0.4
163.52928	0.3
167.03387	0.9
167.07051	2.0
169.04984	0.6
171.03015	0.4
171.04419	1.5
179.05531	6.5
179.10654	0.4
181.08664	0.5
185.04358	0.7
193.05009	2.0
197.09561	0.7
199.06035	0.7
203.05547	0.7
207.06558	0.3
211.13110	0.4
214.21477	0.3
217.07086	1.3
219.05080	0.5
219.38834	0.4
221.06572	2.3
223.09645	0.5
225.07613	0.7
235.08189	13.7
236.08537	0.6
241.08678	1.3
245.06711	0.8
253.09242	3.0
253.12291	2.5
255.23259	100.0
256.23599	9.1
263.07639	1.1
267.08762	1.4
269.24844	0.6
277.09247	1.1
287.07681	3.3
290.09998	0.3
297.11307	20.6
298.11661	3.1
305.08752	4.0
306.09052	0.4
311.12839	0.5
323.09778	1.9
355.11768	4.3
356.12109	0.6
361.11444	0.5
379.12314	1.1
397.13458	85.9
398.13843	7.0
401.17590	0.4
415.14532	31.5
416.14896	2.6
490.28894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03320	1.3
58.00458	2.3
59.01249	42.7
60.01578	0.6
62.61946	0.2
64.50101	0.2
67.01752	0.3
68.99697	0.7
69.03324	1.9
69.86243	0.2
70.07236	0.2
71.01252	35.9
72.01602	0.6
72.99178	2.7
73.02814	6.3
73.03202	0.5
75.00732	1.2
76.03511	0.3
77.20633	0.2
81.03329	1.6
83.01252	4.4
83.04911	0.2
85.02821	8.7
85.99942	0.4
87.00747	8.9
89.02315	33.5
90.02667	0.6
91.03909	0.9
93.03333	0.5
95.01270	2.8
97.02825	7.1
99.00766	2.6
101.02321	30.4
102.02656	0.8
103.00244	0.5
103.03882	0.6
109.02856	0.7
111.00773	0.6
111.04401	1.2
113.02326	15.2
114.02680	0.5
115.03891	0.8
119.03391	9.6
121.02867	0.5
123.00773	0.3
123.04402	0.3
124.01561	0.5
125.02332	13.3
126.02679	0.3
127.03848	0.6
131.03389	1.6
133.04964	1.1
137.02322	0.4
139.03891	1.0
141.01834	0.7
143.03389	5.5
145.02760	0.4
149.02396	0.3
149.04442	0.9
161.04463	7.5
167.03384	0.8
167.07063	0.5
169.04956	0.5
171.02892	0.5
179.05537	6.4
181.05043	0.3
185.04430	0.7
199.06007	0.4
203.05547	0.4
217.07152	1.3
219.05075	0.4
221.06639	2.4
235.08188	13.9
236.08542	0.6
237.22054	0.5
245.06654	0.8
253.09261	3.8
255.23260	100.0
256.23599	8.7
263.07681	1.1
269.24878	0.8
277.09384	1.1
287.07709	3.5
305.08749	4.0
306.09238	0.4
323.09842	2.1
361.11496	0.5
379.12491	1.2
392.06482	0.3
397.13474	86.2
398.13806	6.7
398.18726	0.5
415.14545	32.6
416.14929	3.0
609.54584	0.3
653.36768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60461	0.4
57.03337	0.5
59.01250	5.7
61.98717	0.5
69.03326	2.1
71.01240	4.3
71.04884	0.6
71.49361	0.4
71.49722	0.5
71.59802	0.4
73.02834	1.3
79.90023	0.4
83.01266	0.8
83.04913	0.6
85.02830	0.8
85.06477	0.7
87.00778	1.0
89.02304	3.1
93.03376	0.5
97.02864	0.4
101.02329	3.8
101.02948	0.6
105.01696	0.4
109.06503	1.0
113.02322	2.0
125.02326	0.8
125.09583	0.5
142.30141	0.4
149.09697	0.5
161.04463	1.2
167.07060	0.6
167.10666	2.8
177.12730	0.6
179.10686	0.9
179.14366	2.3
183.13829	6.8
184.14195	0.5
193.12259	1.6
195.13835	8.0
205.12300	7.4
206.12598	0.8
207.10202	1.0
209.11772	1.9
211.13335	100.0
212.13660	6.4
214.18451	0.4
223.13342	78.0
224.13675	5.3
225.11273	0.8
233.08136	0.6
235.08173	3.5
253.09273	8.1
253.21629	0.4
254.22040	0.7
275.51599	0.4
297.11172	0.5
339.12390	0.6
398.13852	0.5
399.13754	0.5
399.25482	0.8
408.84317	0.4
410.08255	0.4
417.26486	1.2
441.21136	1.3
442.07980	0.5
447.22391	5.2
448.22809	0.5
459.22311	7.3
459.28464	0.5
460.22739	0.9
609.33252	0.7
635.33527	1.8
653.22034	1.9
653.32355	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	653.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.2
61.98708	2.0
66.55544	0.8
70.62167	2.7
75.97208	0.9
96.74413	0.8
96.95885	2.1
98.19997	1.1
101.02318	1.1
103.91040	0.9
106.10181	1.0
107.01252	2.3
108.02026	1.1
109.02875	1.5
114.58650	1.0
116.92737	1.2
124.01537	1.3
125.02354	5.6
127.77500	0.8
137.02359	2.3
148.01602	1.2
151.00256	7.2
161.02319	3.7
163.00288	2.1
164.00954	1.0
165.01750	1.3
167.03423	1.1
169.01318	4.4
171.10193	1.3
178.99763	8.2
179.03362	1.2
199.03912	1.5
204.04031	0.9
209.11713	2.9
214.02631	3.6
215.03452	1.7
227.03288	1.4
242.02121	2.6
243.02927	7.7
254.02089	1.5
255.02988	11.5
256.03278	1.6
259.02444	3.7
263.12793	1.2
270.01691	5.3
271.02469	58.9
272.02765	4.4
287.02014	14.0
288.02512	1.9
299.01849	5.2
300.02713	65.9
301.03348	9.7
316.02219	83.2
317.02829	20.7
318.03134	1.2
365.15854	2.6
447.07361	2.6
463.08795	100.0
464.09015	10.6
489.10370	56.5
490.10666	8.2
596.93073	1.0
618.22675	1.0
623.14032	1.2
635.14087	3.9
653.15076	8.1
653.31805	1.8
654.14984	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	653.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	1.9
61.98424	0.2
61.98727	0.3
63.02271	0.5
65.00214	0.8
69.97303	1.0
69.97725	0.6
83.01305	0.4
93.03371	0.7
96.95916	0.6
107.01285	1.5
108.02033	1.3
109.02842	0.4
117.03383	0.8
119.04947	1.6
121.02839	6.1
121.03676	0.4
124.01538	0.4
125.02356	0.7
135.00732	0.7
145.02834	2.4
148.01587	1.7
151.00259	4.9
152.01001	0.3
163.00313	1.2
163.03926	1.0
164.01053	0.7
169.01389	0.7
171.04384	0.6
175.03941	0.5
178.99771	2.6
182.94249	0.3
187.03925	0.5
192.00505	0.5
199.03888	2.2
201.01814	0.5
201.05508	0.3
203.03380	0.4
209.11739	0.6
211.03877	0.6
215.03461	1.0
216.04282	0.7
222.33075	0.3
226.02606	1.9
227.03493	3.2
228.03943	0.5
242.01944	0.4
243.02934	12.3
244.03461	1.3
254.02164	2.4
255.02956	27.4
256.03317	2.4
271.02457	69.8
272.02887	6.9
275.09280	0.5
299.01953	9.7
299.05423	0.6
300.02713	100.0
301.03229	13.1
302.03580	0.3
407.11469	0.3
429.08203	0.5
471.09528	0.3
489.10342	25.9
490.10745	3.1
531.11383	17.8
532.11737	3.0
623.13947	0.4
635.14020	28.8
636.14325	5.3
653.15027	6.8
653.31525	0.4
654.15137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28732	0.6
78.56245	0.2
119.04919	95.9
120.05250	4.5
159.89429	0.3
163.03926	100.0
164.04265	4.9
205.05013	0.3
325.09274	9.4
326.09515	1.0
613.76544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42765	0.5
52.52624	0.5
55.01745	1.4
57.03322	3.6
61.98706	0.4
67.65026	0.5
70.64420	1.2
70.64742	0.5
76.34312	0.4
79.01756	6.8
80.96374	0.6
82.61136	0.5
87.04363	0.7
95.04889	0.5
99.08033	2.1
109.02840	1.0
121.02815	0.5
121.06464	1.1
123.08107	0.7
125.02346	1.4
125.05911	0.6
142.85074	0.6
147.04422	0.7
148.93634	0.4
149.05986	7.9
150.03171	0.8
152.04645	0.6
159.08067	0.5
165.09120	2.6
166.06241	0.7
167.07043	13.0
169.01360	1.3
171.04428	2.4
173.09592	0.8
178.02661	0.9
183.08076	1.6
193.04974	8.9
194.05267	0.5
209.08109	4.5
211.11214	1.4
223.09698	0.9
253.12282	11.5
254.12759	1.2
255.10318	0.7
265.10806	3.1
297.11304	100.0
298.11652	9.7
306.34207	0.6
353.13907	9.5
354.14111	1.0
395.14456	0.6
401.17548	0.6
494.90332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50663	0.2
63.02266	0.6
63.35805	0.2
65.00195	1.0
69.44252	0.4
69.44649	1.5
77.53281	0.2
83.01270	0.7
91.01776	0.3
93.03333	1.1
107.01266	2.1
108.02050	1.5
109.02834	0.7
117.03306	0.4
119.04932	0.8
121.02837	5.7
124.01573	0.4
125.02299	0.6
133.03006	0.2
133.53578	0.3
135.00745	0.5
145.02873	1.6
148.01535	1.4
151.00264	6.5
152.00890	0.3
163.00273	1.8
163.03899	0.3
164.01009	1.1
165.01460	0.3
169.01323	0.7
174.03110	0.3
178.99776	3.6
187.03958	0.4
190.99767	0.3
192.00557	0.4
198.03107	0.5
199.03932	1.0
201.02040	0.3
203.03415	0.4
211.03957	0.8
215.03476	0.8
216.04224	0.9
226.02666	1.6
227.03403	3.5
228.04025	0.3
229.05042	0.3
243.02939	11.8
244.03406	0.7
245.04491	0.8
254.02174	2.0
255.02959	28.6
256.03329	2.0
259.02536	0.2
271.02460	56.3
272.02960	5.7
273.03912	0.8
283.02411	0.7
299.02002	2.7
300.02719	100.0
301.03372	17.9
302.03915	0.7
429.08191	0.5
447.09299	0.4
489.10345	34.0
490.10776	4.0
531.11365	10.4
532.11804	1.0
543.13397	0.2
593.13007	0.5
635.13959	33.6
636.14282	6.2
636.68671	0.3
653.15027	10.2
654.15253	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	651.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.2
60.10069	0.5
63.00508	0.4
65.00194	0.6
117.42617	0.5
119.04914	1.7
122.36888	0.5
124.01579	2.0
145.02887	3.7
151.00272	3.2
152.01077	1.5
161.02382	0.5
163.00241	1.5
163.03903	1.5
164.01065	1.4
165.89522	0.5
167.37361	0.5
178.99773	4.6
187.03983	0.6
190.02861	0.6
199.03981	0.5
203.03436	1.4
204.04289	0.5
210.06389	0.5
214.02632	5.7
215.03438	1.2
227.03401	1.0
229.01320	0.6
229.32831	0.6
231.03020	1.0
232.03593	0.8
242.02174	6.4
243.02919	4.9
259.02414	8.0
270.01688	7.7
271.02463	38.6
272.02948	3.1
275.09387	0.8
287.01950	29.0
288.02521	3.6
315.01437	7.2
316.02216	100.0
317.02634	10.3
329.05313	0.5
505.09918	15.8
505.17493	0.9
506.10455	1.3
651.13507	29.6
652.14063	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48664	0.3
59.01239	0.2
61.17813	0.2
63.02262	0.6
65.00195	0.9
71.21239	0.4
71.21561	0.2
83.01261	0.7
107.01244	1.8
109.02808	0.5
117.03371	0.3
119.04905	0.8
124.01550	2.7
125.02326	0.6
135.00749	0.7
136.01543	0.6
137.02348	1.2
145.02852	0.8
148.01469	0.4
151.00264	5.1
152.01045	1.1
154.61516	0.3
158.03642	0.3
161.02339	0.5
163.00319	1.2
164.01067	1.9
165.01799	0.3
169.01387	0.6
175.04022	0.3
178.99779	6.7
180.00101	0.3
185.02325	0.4
186.03032	0.3
187.03902	0.6
189.01811	0.4
192.00504	0.5
199.03894	0.4
203.03452	1.5
204.04205	0.8
213.01927	0.3
214.02643	8.6
214.04716	0.5
215.03261	1.5
217.01468	0.3
226.02797	0.3
227.03441	0.9
231.02908	0.7
232.03674	0.6
242.02168	6.7
243.02936	4.7
244.03554	1.0
258.01773	0.3
259.02438	8.0
260.02945	1.1
270.01672	7.7
271.02454	46.4
272.02814	3.8
287.01962	26.2
288.02490	4.1
299.01974	0.6
300.02466	0.3
302.42844	0.2
315.01468	1.8
316.02206	100.0
317.02698	12.4
318.03397	0.3
410.00305	0.2
427.05823	0.2
445.07523	0.2
487.09454	0.2
505.09854	29.9
506.10080	3.7
591.88361	0.3
651.13519	43.7
652.13831	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	649.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	12.7
61.98681	1.6
68.99695	1.5
74.74195	0.9
75.23115	1.0
83.01276	1.3
83.82385	0.8
87.83070	0.9
108.02131	0.9
109.02811	1.6
111.00768	4.6
113.05945	4.4
117.03353	1.1
125.98497	0.9
135.67918	0.8
137.02353	1.8
137.05934	1.7
139.00243	6.3
139.03902	7.4
140.65564	0.9
141.05478	7.5
145.02875	2.1
145.06526	1.1
151.00240	1.1
156.05713	1.1
157.06516	2.1
163.03923	1.1
166.06335	0.9
167.03421	1.3
171.04436	7.2
173.05963	10.0
181.04910	1.9
183.06520	1.2
191.06992	2.2
193.04924	1.1
199.07642	1.1
201.05540	1.0
204.04126	1.1
205.39830	1.0
215.07069	1.1
217.05020	4.2
225.05354	1.0
227.10789	1.1
235.07591	1.2
236.08292	1.9
237.05405	1.2
239.10748	2.3
243.06540	2.1
251.10817	8.8
252.08073	1.0
253.08652	2.0
254.09377	2.7
267.10291	7.0
269.08279	4.0
269.11795	4.1
270.09073	1.9
270.11902	1.8
271.09738	39.6
272.10141	4.4
277.08804	1.0
293.11847	1.1
295.09744	12.7
296.10330	2.3
297.11481	1.3
313.10815	16.1
314.10913	1.2
329.10175	1.6
357.15146	1.1
397.14166	2.6
463.15442	3.1
464.57959	1.0
507.14209	5.6
508.14462	1.9
553.67670	1.1
567.20026	1.5
649.20490	100.0
650.20831	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63216	0.2
57.03311	0.3
59.01250	12.8
60.07611	0.2
61.98682	0.4
67.06722	0.2
68.99680	1.3
69.56838	0.3
69.57253	1.1
84.74673	0.2
85.06448	0.9
87.04349	0.5
95.04916	0.5
97.02846	0.2
97.06453	1.0
101.03808	0.3
109.02840	0.3
111.00756	4.1
111.04391	0.8
113.05978	4.5
117.03339	0.8
119.04879	0.2
121.06431	0.5
122.03619	0.5
124.01534	1.0
125.02319	0.7
129.06956	0.3
131.04893	0.3
133.63153	0.2
137.02364	1.1
137.06010	1.2
138.03079	0.2
139.00281	7.5
139.03914	5.0
140.00613	0.5
141.05481	10.4
142.05756	0.3
143.10648	0.5
145.06493	0.9
146.02176	0.2
147.04399	1.4
151.00305	0.4
151.03857	0.2
151.07616	0.2
152.01089	0.5
152.04692	0.4
154.02667	0.3
156.05682	0.8
157.06508	1.7
165.05478	0.3
167.03426	0.8
171.04428	9.1
172.04828	0.3
173.06004	10.1
174.06317	0.6
181.04950	0.6
183.08006	0.3
184.03711	0.2
184.05257	0.3
191.07106	0.3
198.06786	0.6
199.07520	0.7
209.11685	0.3
211.07625	0.3
212.08304	0.2
215.07106	0.4
225.09122	0.5
225.12869	0.5
226.09952	0.5
227.06996	0.3
227.10750	1.2
235.07704	0.4
236.08411	0.5
239.06961	0.2
239.10785	0.4
241.12215	0.5
243.06677	1.2
251.10822	1.3
252.07877	0.3
252.11072	0.2
253.08687	1.6
254.09521	1.4
255.02988	0.8
255.06679	0.4
256.07404	0.4
260.06964	0.6
267.10278	1.2
269.11829	3.2
270.09006	2.9
270.12003	0.4
271.09756	55.2
272.02737	0.3
272.10098	4.7
284.03183	0.7
293.85641	0.2
295.09723	0.8
300.02765	0.7
301.03268	0.3
313.10818	100.0
314.11148	9.8
462.47351	0.3
477.15308	0.3
503.30353	0.3
579.92932	0.3
648.65741	0.3
649.20721	4.1
649.80469	0.3
650.21051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.5
61.98680	5.2
63.02239	1.4
64.00272	1.2
65.00188	2.0
71.01224	1.4
71.48898	2.3
99.81976	1.3
107.01256	2.2
112.08416	1.4
117.03350	9.1
119.04939	10.1
120.41805	1.3
134.00198	1.4
145.02856	25.8
149.69542	1.5
150.75385	1.3
151.00291	9.4
155.04893	2.0
163.03880	5.6
164.18776	1.2
169.01372	2.8
183.04405	3.3
199.03992	7.0
211.03923	1.9
215.03384	3.4
227.03436	7.9
242.02187	10.0
243.02965	33.6
244.03314	4.0
255.02933	17.3
257.04575	4.1
270.01791	8.7
271.02490	45.1
272.03043	3.3
285.03961	12.4
286.04648	2.9
299.01965	85.7
300.02689	23.8
301.03168	2.2
304.87549	1.4
313.03561	17.3
314.04300	100.0
315.05051	43.7
316.05475	2.8
333.09760	4.3
339.05197	1.6
413.57538	1.5
425.08719	2.2
443.09875	4.7
503.11963	5.5
516.89709	1.7
589.13354	11.8
590.13873	1.9
649.15588	81.1
650.16034	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	649.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.2
68.63425	0.4
69.03327	0.6
69.94345	0.9
69.94734	1.3
78.74021	0.4
78.90190	0.4
85.02829	0.9
87.00775	0.5
97.02824	1.0
109.02886	0.6
111.00775	1.7
123.00684	0.6
124.01527	0.6
125.02332	45.1
126.02670	1.5
137.02321	1.3
139.03958	0.7
148.65950	0.5
161.02356	3.2
164.01018	0.4
165.01843	1.0
167.03419	0.9
169.01335	100.0
170.01689	4.5
177.05424	0.5
179.03264	0.6
191.01901	2.0
191.05548	3.8
193.01366	1.6
219.06480	0.6
269.04602	0.8
287.05579	2.2
305.06616	5.3
306.06921	0.8
331.04605	1.8
355.25653	0.4
457.07736	14.2
458.08005	2.2
512.98718	0.5
648.77087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	15.3
58.03669	0.5
61.46221	0.4
61.98709	2.0
69.03331	0.3
71.01282	0.4
81.03333	1.5
83.01256	4.0
83.04330	0.4
95.04883	2.3
96.95887	0.4
105.03348	4.5
109.02837	1.0
110.28226	0.3
116.11353	0.4
121.02856	0.4
123.04389	0.4
125.02337	100.0
126.02686	3.1
131.27350	0.3
132.02089	0.6
133.02863	1.4
137.02345	4.7
139.03932	0.6
140.12543	0.3
147.04431	0.5
148.90688	0.4
149.02385	0.8
149.06032	0.5
151.03900	0.4
153.12798	0.4
158.60648	0.4
161.02351	46.5
162.02779	1.5
165.01836	1.0
166.02589	0.8
167.03371	1.0
169.01398	1.0
175.03876	1.0
177.05466	4.3
179.03453	0.4
183.18867	0.4
185.11719	0.6
197.06151	0.4
199.04024	0.5
199.13240	0.6
201.05472	2.0
201.11261	1.0
205.40329	0.4
209.11740	1.1
219.06589	1.5
225.05470	0.9
227.03516	0.7
229.01366	0.8
241.04942	0.6
243.06671	1.0
269.04578	5.4
286.04932	0.4
287.05576	9.2
288.06119	1.0
305.06628	3.3
313.23932	2.6
341.27136	0.5
359.28015	83.5
360.28397	9.5
468.67416	0.4
481.31369	0.6
509.30908	1.1
647.34015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
58.00486	0.8
59.01249	3.4
60.12203	0.3
61.98697	2.1
65.50729	0.2
69.03328	0.4
71.01248	3.2
71.01556	0.3
72.99200	0.3
73.02836	1.1
75.00739	0.4
80.02566	0.9
81.03358	1.2
83.01250	0.6
83.04888	4.0
83.05294	0.3
84.02060	0.7
85.02851	1.0
87.00770	0.8
88.98674	0.3
89.02324	2.9
91.03925	0.3
95.01268	0.4
95.04914	0.6
97.02866	0.3
99.00787	0.5
99.33403	0.3
101.02338	3.5
108.42487	0.3
109.02811	0.3
113.02316	2.5
116.92674	0.3
119.03414	0.9
125.02326	2.0
125.06010	0.6
125.09621	3.1
127.11185	5.0
133.04932	0.3
135.08066	0.6
137.02374	0.6
137.09665	0.5
139.11179	0.8
143.03389	0.4
151.12022	0.3
153.09142	0.5
153.77225	0.3
155.10689	1.6
157.12276	0.3
161.04457	1.7
163.11206	3.1
165.01811	0.3
165.09105	2.0
165.12776	1.4
169.01352	1.2
171.10194	3.1
172.10579	0.3
179.05582	0.5
183.10254	0.7
185.11717	0.4
191.10695	0.5
195.06465	0.5
199.09708	1.9
199.13385	0.5
201.11266	100.0
202.11617	4.7
209.11775	87.3
210.12109	5.0
214.00632	0.3
221.11818	0.4
227.12839	11.6
228.13126	0.5
235.08180	4.8
236.08411	0.4
239.12729	0.8
247.81961	0.3
253.09253	17.4
254.09593	0.9
315.01154	0.5
316.02252	0.7
319.04547	0.3
366.33044	0.3
375.21689	1.7
393.22824	1.6
394.29828	0.3
404.32599	0.3
405.17453	0.7
411.23880	0.8
419.19305	0.4
437.20355	1.8
445.20462	1.1
463.06607	1.2
555.78912	0.3
611.31006	0.7
629.30609	0.4
647.32446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55229	1.4
56.11090	1.2
57.03313	1.6
57.11154	1.3
59.01249	6.0
61.98682	6.9
68.40155	1.6
69.03323	15.8
71.01254	9.8
71.04887	35.5
83.01257	1.8
85.02829	3.1
87.00748	4.0
87.01751	1.4
89.02322	4.1
89.05979	1.7
93.03342	1.7
95.01231	1.6
96.95898	4.5
99.00783	2.7
101.02329	4.7
113.02328	5.2
121.02844	19.2
123.04444	1.8
125.02343	7.6
125.05960	1.6
134.03653	7.4
147.00826	3.5
147.08060	2.2
149.02368	1.6
149.09625	6.0
161.02373	2.1
161.04459	2.6
165.01767	1.8
167.03487	2.8
169.01329	2.3
177.09050	8.8
185.11829	1.9
193.08646	1.9
199.13347	1.7
200.10765	1.5
201.11276	8.2
206.22459	1.4
209.11794	5.4
211.13272	1.8
214.09583	1.4
216.87206	1.5
221.08145	100.0
222.08441	5.7
227.12785	2.1
251.11307	4.4
253.09322	1.4
271.02521	5.3
300.02768	11.1
365.14532	27.6
383.15692	2.3
443.16833	1.4
513.16125	36.0
514.16357	5.4
531.11627	7.6
532.11920	1.7
636.84692	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	647.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15446	3.0
54.65047	3.1
55.92330	3.7
61.98697	6.9
62.53389	3.1
63.02251	5.1
65.00208	9.5
71.50521	5.6
83.01255	8.1
83.39233	3.1
95.01247	4.7
97.02885	3.3
98.80302	3.3
107.01266	14.7
109.02843	18.0
111.00772	16.3
121.02840	5.4
123.00720	9.5
123.04424	4.9
125.02340	30.4
133.02817	3.6
134.03668	4.3
137.02324	10.1
139.00252	17.7
141.15112	3.7
145.02859	3.7
149.02361	9.7
151.00262	53.1
151.03867	4.7
153.01843	17.6
154.99768	10.7
159.04491	5.7
166.99744	14.5
167.03476	6.5
168.05490	3.8
169.01315	19.6
175.03899	4.5
178.99788	63.3
179.03300	5.4
180.00139	4.0
181.01234	4.1
187.04002	7.6
191.03398	4.6
193.01328	12.4
194.99294	9.5
201.01765	4.4
203.03445	5.9
209.04443	6.7
215.03452	6.2
227.03502	4.2
231.02916	5.5
233.04393	6.6
243.02881	13.8
245.04561	5.5
251.05469	3.6
257.83585	3.5
259.02374	8.6
261.03906	4.9
270.99884	4.1
271.02374	21.8
272.03110	6.5
287.01892	17.7
289.03439	12.6
297.00385	6.0
299.01932	10.0
300.02502	5.1
301.03461	15.2
314.98080	5.5
315.01453	59.8
316.01962	10.3
317.03018	22.7
333.02448	100.0
389.08871	5.1
463.08844	4.5
479.08023	7.3
619.80334	3.8
621.66998	4.0
647.08508	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	647.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02269	1.8
65.00187	2.3
66.78667	0.3
67.01757	0.4
70.51926	0.6
70.52284	0.9
81.03323	0.7
83.01257	1.4
92.45753	0.3
95.01272	1.7
107.01260	4.2
109.02829	3.7
109.99976	0.7
111.00761	4.8
120.15938	0.3
123.00769	2.4
125.02330	4.2
127.00273	0.4
131.80736	0.3
134.32094	0.3
135.00891	0.3
136.98703	1.3
137.02328	9.6
137.03348	0.7
139.00264	14.1
141.01807	0.8
147.00766	0.3
149.02335	0.7
151.00267	16.1
152.00658	1.0
153.01830	8.1
153.03090	0.4
154.02153	0.4
155.03328	0.7
159.04482	0.4
163.00259	0.9
164.01031	0.5
164.98175	0.8
165.01854	2.6
165.98999	1.9
166.99762	13.9
167.03430	0.8
168.00269	0.4
169.01328	2.4
171.04378	0.5
175.00334	1.5
175.03951	0.5
177.01781	0.5
177.81845	0.3
178.99765	22.0
180.00237	1.9
182.42682	0.3
184.26128	0.4
185.00845	0.7
187.03923	0.7
189.01793	0.4
190.99860	0.4
191.03412	1.0
193.01332	5.1
194.99261	9.7
195.99596	0.5
199.03860	0.7
201.01718	0.4
203.03439	1.7
206.99274	1.1
208.00061	1.2
209.00882	0.5
214.02660	0.4
215.03398	2.2
217.01248	0.4
219.02962	1.4
227.03519	0.6
229.01326	0.5
230.02287	0.4
231.02997	1.0
242.02261	0.4
243.02991	2.1
245.00847	0.9
245.04431	0.5
247.02377	0.8
259.02438	1.9
260.02899	0.6
261.04099	0.4
270.01596	0.4
271.02423	4.5
272.02942	0.3
287.02011	5.6
288.02301	0.9
289.03561	1.5
296.00266	0.3
305.02853	0.4
313.05743	0.6
315.01440	8.9
315.11612	0.4
316.02170	8.6
317.02957	18.5
318.03278	1.8
331.00772	0.5
331.06839	0.5
332.01651	3.7
333.02478	100.0
334.02795	8.1
479.08234	9.8
480.08557	1.2
495.07773	2.7
647.08789	3.9
648.09210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94968	2.6
57.03314	4.5
61.19257	2.5
63.02262	5.6
64.29027	2.2
65.00190	10.4
66.49363	2.4
67.01762	2.6
71.06784	4.8
80.99635	3.1
81.03299	2.5
81.84795	2.5
83.01247	21.8
95.01267	9.8
98.13121	2.3
99.00754	3.7
105.48579	2.4
107.01260	17.6
109.02834	10.0
109.99926	2.8
110.03655	2.7
111.00764	35.8
120.35294	2.4
123.00794	15.7
124.01558	4.3
125.02340	55.4
129.03506	2.4
131.04871	2.8
136.98674	6.8
137.02333	18.9
139.00270	37.5
141.01810	5.2
143.04991	2.9
147.04381	3.4
149.02304	3.6
149.99461	2.6
151.00276	70.9
152.00703	4.3
153.01836	72.7
154.02190	3.1
154.99780	26.3
159.04437	4.1
161.02356	15.7
163.00220	7.0
164.98189	5.2
165.01854	8.8
165.98889	5.3
166.99744	23.6
167.03410	3.9
168.00471	9.2
169.01398	17.9
178.98227	5.6
178.99783	100.0
180.00233	6.0
182.99252	11.2
187.03909	2.8
189.45526	3.1
190.02655	3.3
190.99745	5.3
191.03377	3.8
193.01370	23.6
194.99260	19.7
197.00842	64.1
198.01228	4.2
201.01875	3.5
203.03426	6.7
205.01384	3.7
206.99295	10.5
209.00807	6.8
215.03427	5.8
219.02782	4.1
222.98787	20.6
223.99428	2.8
229.01439	3.3
231.02879	9.2
242.02159	4.5
243.02919	8.1
247.02434	3.1
249.04105	3.1
259.02448	20.5
260.02670	3.3
261.00375	8.0
261.03992	6.6
271.02454	22.0
275.01938	4.8
287.01981	38.5
288.02737	14.6
298.47830	3.2
303.01434	9.8
305.02808	14.0
312.99918	15.5
315.01431	35.8
315.07074	5.6
316.02173	76.4
317.02957	47.5
317.76559	3.8
330.00247	3.0
331.00931	72.4
332.01596	26.6
333.02475	30.0
334.02875	2.9
348.01257	4.7
349.01953	86.3
350.02307	6.2
463.08841	54.4
464.09094	6.5
477.06717	4.5
479.08289	31.4
480.08075	4.1
489.06653	8.0
489.66385	3.0
495.07632	6.4
559.10712	7.7
585.08752	3.4
601.08057	3.5
629.07703	22.2
644.39539	2.8
647.09113	15.6
648.09204	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	646.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.8
59.01289	0.5
60.43124	0.5
61.98698	1.2
67.01772	0.5
69.03325	2.0
71.49985	0.8
74.66350	0.5
79.01756	0.7
79.02509	0.4
79.63666	0.5
81.03337	1.7
83.01254	5.7
93.03316	1.3
94.95201	0.6
95.01259	2.2
95.04904	1.3
97.02834	2.1
105.03355	1.7
106.89826	0.5
107.01291	0.8
109.02837	4.8
111.04396	1.0
116.04949	4.1
121.02847	0.5
123.00766	2.7
123.04416	0.6
124.01578	1.7
125.02337	100.0
126.02675	3.3
133.02794	0.5
133.11023	0.5
135.04419	0.6
137.02359	9.9
138.03004	0.6
139.03909	4.8
146.97154	0.5
147.04506	0.5
149.02361	1.8
151.00282	0.7
151.03831	2.4
156.08115	0.8
158.06027	0.5
159.04422	0.8
160.01575	0.7
161.02357	14.7
162.02782	1.2
163.03943	0.6
164.01068	1.9
165.01817	6.1
165.05528	0.5
166.02570	1.1
166.99741	0.8
167.03424	4.9
168.00430	0.5
168.08119	1.0
169.01338	75.8
170.01683	2.9
170.06088	1.2
175.03841	1.5
177.01909	2.5
177.05466	4.4
178.99823	0.8
179.03413	6.4
191.03423	0.6
191.07037	0.9
193.01331	4.5
197.04538	2.4
201.05457	0.5
203.03418	1.4
204.04147	0.9
205.01277	0.6
209.04500	0.7
219.03056	0.5
219.06578	4.5
221.04497	3.1
222.09167	0.5
227.03423	0.6
243.06557	0.5
245.04562	0.7
249.10851	0.6
252.06462	1.0
261.07678	1.3
263.05411	0.8
266.08215	0.8
269.04526	1.3
275.05371	0.6
280.32196	0.5
286.04285	0.5
287.05637	4.1
296.09418	0.8
301.03522	2.2
305.06662	42.2
306.07114	3.0
311.05484	0.7
314.10345	8.6
326.10373	1.4
327.08838	0.6
331.04507	2.1
340.09122	0.8
341.06775	1.0
347.07761	1.5
348.22095	0.5
359.07678	0.8
377.08893	2.5
403.06299	0.6
457.07529	3.1
458.12735	0.9
476.13547	5.0
477.13733	0.7
494.07416	0.7
494.14532	10.2
495.14725	2.1
499.08084	0.7
583.10944	1.2
629.72046	0.6
646.15735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59718	1.5
59.01242	7.2
61.98694	3.9
71.01252	5.0
71.48572	1.4
71.48960	2.2
85.02808	1.6
89.02320	2.9
101.02339	4.7
113.02348	2.7
119.03362	1.9
121.28094	1.7
125.02332	5.3
125.48775	1.9
127.45123	1.4
135.24562	1.5
145.63126	1.5
161.02409	1.9
161.04474	3.3
163.11218	1.8
165.12733	8.3
169.01363	2.8
171.10182	4.2
181.12366	3.6
183.13824	100.0
184.14206	6.8
197.11748	13.2
198.12051	4.1
199.13339	87.4
200.13675	4.3
209.11726	9.4
211.13387	9.9
212.13765	2.1
220.89604	1.7
227.12805	11.2
235.08147	3.3
253.09296	8.9
258.90802	1.6
271.02588	1.9
297.72998	1.7
357.26483	1.9
382.60959	1.8
445.20972	2.3
463.22150	3.6
645.34937	83.1
646.35382	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	645.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	17.1
59.01252	0.9
61.98701	1.8
71.01269	0.8
79.60906	0.3
81.03352	1.4
83.01255	4.2
83.04903	0.4
89.02297	0.4
93.03342	0.5
95.04900	2.5
97.02859	0.4
99.11839	0.4
101.02350	0.7
105.03342	5.8
109.02839	1.0
124.01598	0.7
125.02335	100.0
126.02648	3.1
133.02846	1.7
137.02361	4.2
137.09618	0.4
145.06519	0.4
149.02376	0.9
151.03918	0.4
152.63358	0.4
159.04433	0.6
161.02351	47.0
162.02707	2.8
163.11191	0.4
165.01831	0.6
166.02640	0.9
167.03503	0.8
169.01308	1.1
171.10161	1.3
173.05981	0.5
175.03960	1.0
177.05472	4.1
183.04449	0.6
197.06046	0.9
197.11705	2.8
198.12085	1.9
199.04031	0.9
199.09676	2.5
199.13409	3.8
201.05528	1.4
201.11261	0.5
209.11772	7.4
210.12140	1.8
211.13399	0.6
219.06621	0.5
225.05515	0.5
227.03427	0.8
227.12912	2.1
228.13214	0.7
229.01456	0.6
241.04901	0.7
243.06647	1.0
253.09248	1.1
259.02435	0.5
269.04514	5.5
271.02518	2.1
286.04684	0.7
287.02026	1.2
287.05511	7.3
288.06036	0.5
303.82874	0.5
305.06577	2.5
309.24399	0.7
315.01556	0.5
316.02301	3.7
317.02905	0.6
327.25418	6.3
328.25635	0.9
339.25388	1.1
357.26443	77.7
358.26782	8.8
373.19666	0.4
435.20212	0.3
479.30194	0.9
507.29611	1.3
549.40491	0.4
627.30750	0.6
645.21930	2.4
645.32538	1.3
646.22388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61454	0.2
55.01770	0.3
57.03334	0.3
58.00487	0.2
59.01251	3.5
59.44212	0.2
65.81522	0.2
69.03323	0.7
70.50558	0.7
71.01250	2.8
73.02831	0.6
80.02539	0.9
81.03345	1.1
83.01267	0.4
83.04897	4.0
84.02055	0.9
85.02810	0.8
87.00748	0.7
89.02316	1.9
95.01272	0.3
95.04907	0.6
101.02322	3.0
113.02314	1.3
119.03400	0.4
124.42685	0.2
125.02383	0.4
125.05956	0.5
125.09631	0.2
135.08043	0.4
141.09079	0.5
143.03467	0.3
153.12720	1.2
161.04440	1.2
163.11203	3.0
165.12793	1.8
169.12251	7.0
170.12569	0.2
171.10158	1.4
179.05562	0.3
179.10706	0.8
181.12245	0.5
191.10719	0.8
195.10220	0.3
197.11760	100.0
198.12097	6.1
199.13374	0.6
201.11076	0.3
209.11766	81.5
210.12120	5.9
210.14024	0.4
211.13326	0.9
212.13515	0.3
223.13321	0.3
227.12839	12.7
228.13257	1.1
235.08194	3.3
235.13313	1.8
236.08392	0.3
236.14063	0.3
237.99321	0.2
253.09242	9.1
254.09540	0.4
264.37003	0.3
283.92160	0.2
294.77243	0.2
371.22153	0.3
372.90649	0.3
376.73801	0.2
389.23129	0.5
407.24191	0.3
415.19983	0.4
433.20825	4.4
434.21103	0.5
445.20670	0.8
607.31543	0.7
625.32837	0.6
654.00696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31074	0.2
55.01731	0.3
56.05680	0.2
57.03302	0.4
59.01246	3.7
61.98698	0.4
68.40081	0.2
69.03309	0.5
70.56924	0.6
70.57275	0.3
71.01247	3.1
72.69659	0.2
73.02795	0.9
80.02522	1.0
81.03318	0.8
83.01231	0.3
83.04890	3.8
84.02034	0.5
85.02815	0.7
87.00737	0.8
89.02309	2.4
95.04900	0.6
97.02836	0.3
97.06437	0.5
101.02316	3.0
109.06446	0.4
113.02350	1.7
113.05970	0.3
119.03345	0.7
125.02303	0.8
125.05888	0.4
125.09548	0.3
127.41588	0.2
135.07996	0.7
141.09059	0.3
151.11098	0.4
153.09087	0.6
153.12740	1.7
161.04457	1.5
163.11165	3.3
165.12785	1.5
169.12238	6.4
171.10144	1.1
179.05463	0.5
179.10678	0.7
181.12198	0.4
185.11725	0.3
191.10678	0.9
197.11754	100.0
198.12099	5.7
199.13304	1.5
201.11153	1.4
207.10229	0.6
209.11765	83.0
210.12125	4.9
211.13400	1.4
223.13309	1.1
225.11224	0.3
227.12837	13.0
228.13202	0.8
235.08162	2.9
235.13269	1.6
253.09253	8.7
254.09666	0.5
299.25583	0.3
371.22311	0.6
389.23309	0.7
407.24655	0.5
415.19934	0.3
433.20682	4.2
434.20935	0.4
445.20828	1.1
463.22000	0.4
607.31390	0.8
608.32202	0.3
625.32574	0.9
626.32251	0.4
643.33478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
63.02294	0.6
69.16605	6.0
73.65083	0.6
83.01270	0.9
83.34324	0.6
85.02814	1.9
93.03289	0.8
96.95894	0.6
107.01265	2.3
109.02808	1.1
114.40761	0.5
119.04944	0.6
123.15340	0.5
124.01544	1.9
125.02338	5.4
134.61830	0.6
135.04408	0.8
137.02338	3.1
151.00278	7.8
152.01057	1.0
157.73682	0.6
161.02306	1.4
163.00259	1.7
164.01024	1.9
165.01854	0.7
167.03394	0.8
169.01363	1.8
177.01834	1.5
178.99767	8.0
191.05547	12.6
203.03392	1.6
214.02612	4.7
215.03203	0.9
227.03488	0.7
231.02986	0.7
242.02109	4.0
243.02867	3.0
255.02876	0.6
259.02423	5.3
270.01712	6.6
271.02478	30.8
272.02905	3.1
276.78741	0.6
287.01974	19.6
287.05389	1.5
288.02466	2.8
305.06503	0.8
315.01532	2.4
316.02219	100.0
317.02872	27.3
318.03369	2.0
329.03015	1.2
368.05151	0.5
435.06931	0.7
462.08081	1.1
463.08795	82.3
464.09195	11.6
479.08286	30.2
480.08243	2.8
643.12897	6.3
644.13336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.7
63.87967	0.2
71.01247	1.4
73.02818	0.3
85.02830	0.3
87.00735	0.3
89.02314	0.8
94.66038	0.2
98.26383	0.2
98.73863	0.2
101.02311	1.0
107.12836	0.2
113.02323	0.7
119.03407	0.3
141.33578	0.2
155.10661	0.2
156.91586	0.2
161.04456	0.7
165.12680	0.3
167.07028	0.2
167.10655	0.3
167.14354	0.5
179.05505	0.4
183.13843	6.6
184.14177	0.4
193.12280	1.8
211.13345	100.0
212.13698	6.2
235.08141	1.6
240.02896	0.2
253.09285	4.1
254.09630	0.3
353.55063	0.2
387.25262	0.5
405.26813	0.3
429.21152	0.7
447.22406	4.2
448.22891	0.7
470.92291	0.2
623.34399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33412	0.1
55.00508	0.1
55.01749	0.1
59.01247	1.6
65.37535	0.1
69.03325	0.4
70.51632	0.3
71.01246	1.5
71.22503	0.1
83.04884	0.3
85.02821	0.5
87.00767	0.2
89.02306	1.1
101.02318	1.4
102.80804	0.2
113.02313	0.8
119.03358	0.3
161.04468	0.9
165.12753	0.4
167.07028	0.4
167.10713	0.3
167.14348	0.6
179.05573	0.2
183.13834	6.5
184.14117	0.3
185.53224	0.1
193.12297	1.5
211.13332	100.0
212.11641	0.4
212.13680	6.3
235.08241	1.8
253.09262	4.1
254.09489	0.2
255.10182	0.2
261.53070	0.1
297.11337	0.2
387.25449	0.5
405.26770	0.4
429.21362	0.6
447.22345	4.3
448.22800	0.6
527.11060	0.2
623.34387	0.8
624.35229	0.2
641.25128	0.2
641.35278	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.6
59.28809	0.1
61.98686	0.3
69.03315	0.3
69.92126	0.4
71.01266	1.0
73.02808	0.3
83.01228	0.2
83.04879	0.3
85.02819	0.4
87.00758	0.3
89.02328	1.1
98.20457	0.2
99.00661	0.2
101.02312	1.3
112.36250	0.2
113.02313	0.9
119.03423	0.2
125.02325	0.1
129.01758	0.1
143.03365	0.2
145.04988	0.1
155.10686	0.2
161.04414	0.6
162.99347	0.1
164.05997	0.1
165.12726	0.3
167.10674	0.4
167.14250	0.4
179.05499	0.2
182.97867	0.1
183.13817	5.8
184.14256	0.3
191.32024	0.1
193.12265	1.4
211.13322	100.0
212.13664	6.3
235.08221	1.6
239.38916	0.1
253.09248	4.4
254.09491	0.2
281.50058	0.1
379.24643	0.2
387.21021	0.1
387.25290	0.8
402.29553	0.1
405.26419	0.6
429.21344	0.7
447.22330	4.8
448.22662	0.5
623.34314	0.9
624.34662	0.2
641.34393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21379	0.2
59.01246	1.6
61.98690	0.2
63.49490	0.2
69.03320	0.3
69.90252	1.0
71.01239	1.3
72.91423	0.2
73.02824	0.4
83.04858	0.2
85.02785	0.3
87.00728	0.3
89.02311	0.9
95.35177	0.2
101.02307	1.3
107.56704	0.2
113.02331	0.7
119.03350	0.3
123.44627	0.2
126.81353	0.2
145.04970	0.3
152.78529	0.2
161.04471	0.6
165.12709	0.2
167.10751	0.3
167.14281	0.6
179.05501	0.3
183.12198	0.3
183.13835	6.2
193.12292	1.9
210.71455	0.2
211.13333	100.0
212.13664	7.1
235.08278	1.1
253.09262	4.4
254.09647	0.2
341.24774	0.2
387.25348	0.7
405.26477	0.3
429.21161	0.8
447.22354	4.5
448.22781	0.5
464.58218	0.2
477.53995	0.2
623.33978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
57.03320	4.0
59.01242	0.3
61.98695	1.2
67.06130	0.1
67.51936	0.1
68.99682	0.8
71.14242	0.3
75.00746	0.1
79.01759	7.0
79.05412	0.4
81.85840	0.1
83.01260	0.6
87.04381	0.8
98.20518	0.1
99.00731	0.3
99.08059	0.7
109.02859	0.7
109.06490	0.3
111.04389	0.3
113.05967	3.5
114.06306	0.2
119.04865	0.2
121.06522	0.8
122.03611	0.3
123.08087	0.2
125.05933	0.4
133.06519	0.2
137.02278	0.2
137.05986	0.3
147.04433	0.7
149.05989	8.2
150.03094	0.9
150.06279	0.4
152.04669	0.2
152.08388	0.3
153.05495	0.2
155.08569	0.5
156.05762	0.2
159.08078	0.8
161.05963	0.3
162.06717	0.3
166.06261	0.5
167.07047	4.3
167.10722	0.2
168.05586	0.2
171.04422	4.1
171.05887	0.2
172.04718	0.3
173.09621	0.9
175.07515	0.2
178.02631	0.7
179.07076	0.5
182.07307	0.2
183.08086	1.6
191.03412	0.4
193.04979	10.2
194.05299	0.6
195.08115	0.3
197.09579	0.4
200.08386	0.6
206.05730	0.2
211.11227	1.1
211.13350	1.1
212.11774	0.2
213.07520	0.3
223.07718	0.2
225.12712	0.5
229.12285	0.3
235.11209	0.1
237.09125	0.4
238.09953	0.4
253.12309	9.1
254.09906	0.2
254.12599	0.7
255.08691	1.0
255.10643	0.4
267.10263	0.3
275.79922	0.2
282.08914	0.2
297.11298	100.0
298.11639	9.0
343.11832	3.2
344.12149	0.4
401.17505	0.3
527.43164	0.1
641.23840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03324	4.2
59.01244	0.4
61.98704	0.7
68.99677	0.6
71.49273	0.2
75.00737	0.1
76.71136	0.1
79.01762	7.2
79.05398	0.4
80.02110	0.2
83.01260	0.8
83.04878	0.2
85.06438	0.1
87.04387	0.9
99.00751	0.4
99.08048	0.8
101.03843	0.2
109.02805	0.7
109.06483	0.4
111.00732	0.1
111.04419	0.2
113.05972	4.0
114.06300	0.2
117.07011	0.1
121.06498	1.0
122.03614	0.2
123.08061	0.3
125.05960	0.4
127.05458	0.2
128.07158	0.1
130.04103	0.2
131.04909	0.2
133.06465	0.3
137.05978	0.5
141.06987	0.2
147.04414	0.9
149.05984	8.4
150.03110	1.0
150.06349	0.5
152.08272	0.3
153.05453	0.2
155.08566	0.4
156.05711	0.1
159.08078	1.0
161.05933	0.5
162.06761	0.2
163.03912	0.2
166.06262	0.4
167.07048	4.6
168.07343	0.2
169.08600	0.2
171.04428	4.2
173.05945	0.3
173.09576	1.0
175.07520	0.1
178.02664	0.9
179.07048	0.5
181.06494	0.2
182.07350	0.1
183.08078	1.7
185.06023	0.2
191.03262	0.3
193.04994	10.8
194.05327	0.6
195.06506	0.2
195.08093	0.3
196.08838	0.5
197.09587	0.7
200.08368	0.5
210.06775	0.2
210.10327	0.2
211.11234	1.1
211.13364	1.3
220.08995	0.2
225.12823	0.5
229.12334	0.3
235.11128	0.2
237.09317	0.3
238.09920	0.4
241.08754	0.2
253.12317	10.3
254.12556	0.8
255.08728	1.3
255.10641	0.4
267.10327	0.3
282.08780	0.2
297.11304	100.0
298.11652	9.8
312.17319	0.2
325.64893	0.1
343.11844	3.1
343.15973	0.2
344.12247	0.2
401.17743	0.2
584.29309	0.2
641.23920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	4.9
57.03320	4.0
60.56438	0.5
64.64052	0.6
65.00202	0.9
68.99680	4.0
71.28867	1.1
71.29276	0.7
72.91029	0.6
79.01763	9.2
81.79716	0.6
87.00753	1.6
87.04411	1.0
97.02785	1.0
99.00755	5.1
99.08044	7.9
99.29660	0.6
105.73566	0.6
109.02864	0.9
111.04420	0.7
113.05972	12.6
117.03393	0.6
118.75693	0.6
121.06479	0.6
122.03634	4.6
123.08011	0.9
137.05988	12.6
139.03891	0.9
147.04422	2.1
149.05991	10.8
150.06319	0.6
152.04736	1.6
159.08026	1.1
166.06245	0.9
167.07059	40.7
168.07385	2.4
169.08682	1.2
171.04430	9.4
172.04817	0.6
173.05968	0.7
173.09644	1.2
178.02545	0.6
180.04213	0.8
181.04918	2.8
183.08026	1.3
191.03554	0.8
193.04999	16.5
194.05385	0.8
195.06558	9.6
195.08284	0.7
195.32043	0.7
207.06551	0.8
211.11256	1.3
213.07661	6.5
214.07982	0.8
217.05028	1.5
223.06100	2.3
233.09714	1.8
235.11308	1.1
251.10854	1.0
252.07893	1.4
253.12315	9.5
254.12717	0.9
255.10349	1.2
257.09705	1.3
268.07437	0.9
269.08124	2.2
279.10208	1.2
297.11322	100.0
298.11697	9.8
301.08768	1.6
311.09250	17.7
312.09473	1.6
313.10950	1.5
315.10834	0.7
357.11221	1.6
365.10516	1.0
383.16501	3.4
395.13037	2.4
397.14514	1.0
401.17728	1.3
407.16385	0.8
415.15881	0.7
427.15485	6.8
428.15912	1.1
441.13293	0.8
445.16592	4.7
446.16837	0.8
451.15549	3.7
452.15732	0.8
481.51947	0.8
495.14487	11.7
496.14709	1.8
503.16656	0.8
565.22290	0.7
591.19861	1.1
609.21271	35.3
610.21716	8.4
641.23962	8.2
642.24481	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	641.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	4.4
57.03327	4.2
64.46706	0.8
67.01772	3.6
67.72602	0.7
68.99683	2.2
70.98049	1.4
75.00739	0.8
79.01759	7.8
97.02837	1.5
99.00752	3.2
99.07383	1.3
99.08036	24.6
108.51398	0.8
109.02824	1.8
109.06473	1.8
113.05973	9.4
121.06492	0.9
122.03630	10.9
123.08068	1.3
125.05991	1.3
126.27933	0.7
136.05113	0.8
137.05988	40.4
138.06302	1.4
139.03871	1.4
139.07541	0.8
149.05977	10.1
152.04715	2.6
159.08061	0.8
167.07057	100.0
168.07397	4.3
169.08624	9.2
171.04457	5.3
173.09576	1.2
178.02718	0.8
180.04199	2.2
181.04980	10.4
182.05444	0.8
183.08090	1.6
193.04997	18.0
195.06557	54.4
196.06912	3.4
211.11215	1.4
211.13161	1.1
213.07631	43.0
214.07957	1.5
223.06058	0.9
233.09724	2.7
253.12306	7.2
255.10109	1.5
279.10242	1.2
297.11325	70.6
298.11636	7.2
311.09256	11.0
321.11215	2.1
323.09113	1.0
357.11295	1.7
383.16675	7.7
384.16818	0.9
395.13293	1.1
427.15491	42.3
428.15784	6.2
443.70813	0.7
445.16608	2.5
451.15588	1.4
459.18329	2.2
495.14413	5.0
496.15018	1.3
609.21252	16.1
610.21387	3.6
641.23926	20.7
642.23956	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	641.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67569	0.7
54.38555	0.6
55.01744	3.6
57.03313	3.3
67.01748	4.7
70.98953	1.3
70.99301	1.1
79.01763	6.6
81.03297	0.7
87.04381	1.3
95.04853	0.9
97.02816	1.4
99.00749	1.1
99.07384	1.3
99.08034	25.9
100.08384	0.9
107.04948	0.8
109.02808	0.7
109.06472	2.7
111.00765	0.9
113.05972	4.4
121.06497	0.8
122.03622	14.3
123.08014	1.6
125.05967	1.0
135.04436	0.9
136.05179	1.5
137.05977	52.0
138.06296	2.0
139.07523	1.3
149.05977	8.1
152.04707	4.2
167.07042	100.0
168.07361	6.1
169.08617	11.4
169.47498	0.7
171.04446	3.0
180.04199	2.3
181.04959	14.4
193.04990	11.3
194.05209	0.7
195.06552	80.1
196.06898	4.8
211.11407	1.3
211.13290	6.5
212.13593	0.9
213.07620	57.9
213.32841	0.7
214.07928	3.2
233.09644	1.7
235.11060	1.0
253.12250	5.2
278.09412	0.9
279.10211	1.9
297.11313	50.8
298.11630	4.9
311.09216	3.1
321.11301	2.9
357.11255	2.0
383.16519	6.3
401.17612	1.4
427.15466	38.0
428.15854	4.5
445.16501	2.2
459.18164	2.1
495.14420	3.3
603.05182	0.9
609.21301	5.3
610.21722	1.5
641.23859	15.3
642.24353	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	641.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93826	1.4
59.01241	2.2
65.00196	4.6
65.40456	1.5
73.98196	1.5
74.79135	1.7
83.01256	3.1
95.01264	2.0
95.86487	1.4
98.19778	2.7
98.20464	5.8
102.46911	1.4
107.01273	10.5
109.02822	2.7
109.99988	1.9
111.00817	2.5
119.04915	3.5
123.00804	2.3
123.04353	2.4
124.01530	4.4
125.02348	5.3
133.02841	5.6
135.04425	3.0
137.02322	5.9
139.00250	3.3
145.02873	3.4
149.02313	2.3
151.00259	29.6
151.03853	1.7
159.04381	3.0
161.02367	3.1
163.00284	3.4
163.03917	3.7
164.00998	2.0
169.01259	3.3
173.02209	1.7
175.03925	3.6
177.01862	12.1
178.99777	32.4
180.00261	2.4
187.03951	5.5
189.01808	2.4
190.02441	1.7
192.00528	2.1
193.01329	2.4
194.99355	2.1
202.02548	2.0
203.03444	6.5
205.01323	3.0
209.11823	2.3
214.02629	6.8
215.03452	4.7
227.03577	2.0
229.01329	2.9
231.02884	5.1
233.04485	2.7
242.02206	5.4
243.02916	6.8
259.02435	16.4
261.00375	4.9
270.01627	4.5
271.02487	48.4
272.02719	3.4
275.02032	2.9
286.98734	3.0
287.01953	48.6
288.02454	6.1
299.02060	1.6
303.01508	4.7
304.02365	2.5
305.02966	2.4
312.99829	2.0
315.01480	23.5
316.02209	100.0
317.02847	27.1
331.00961	11.7
332.01633	7.3
348.01318	2.8
463.08783	51.4
464.09177	9.6
540.58466	1.6
609.12366	2.5
623.10620	5.9
624.10504	1.8
641.11456	31.8
642.11737	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	641.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96777	0.7
65.00182	1.6
83.01251	1.1
107.01246	3.2
124.01533	1.8
125.02341	2.4
129.51199	0.7
136.01505	1.2
137.02371	4.6
139.00266	1.9
151.00270	12.1
152.00996	1.9
152.49640	0.9
163.00246	1.4
164.01105	1.3
169.01346	4.0
178.99783	11.4
182.99220	1.4
187.03896	1.5
192.00542	0.9
193.01244	1.0
199.03896	1.4
200.62265	0.8
203.03403	4.6
214.02614	3.4
215.03368	3.0
231.02887	4.1
242.02150	3.3
243.02928	6.7
259.02469	11.3
270.01691	4.3
271.02444	29.3
272.02753	2.1
287.01944	27.1
287.04446	0.6
288.02386	2.8
299.02054	1.3
315.01440	37.9
316.02173	70.1
317.02914	32.2
317.06708	1.2
318.03314	2.8
329.02884	2.6
478.07507	12.6
479.08249	35.6
480.08728	3.2
641.13544	100.0
642.13898	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	639.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42176	1.2
55.87931	1.1
56.13195	1.2
56.95183	1.2
57.40768	1.2
59.01255	43.5
61.98705	2.8
67.01789	1.9
67.74136	1.2
69.38622	9.2
71.01257	2.6
73.02750	1.1
85.02827	1.7
89.02312	2.7
93.39027	1.2
101.02336	1.3
103.55516	1.4
119.04903	2.8
121.02839	2.5
125.02334	5.0
127.97257	1.2
136.01555	38.5
137.02235	1.4
139.00247	3.1
139.03874	1.3
147.04427	2.4
151.03917	100.0
152.04248	3.9
159.04424	3.2
160.05232	1.7
161.02432	1.4
169.01357	4.5
175.03999	2.2
175.07646	1.8
187.03864	2.5
196.03700	2.4
201.05418	2.2
201.78990	1.3
202.02576	1.3
203.03427	31.9
204.03809	2.5
207.06433	1.3
217.05005	3.8
218.05786	39.1
219.06163	3.6
233.04585	1.8
233.08139	43.4
234.08525	3.3
301.03134	1.5
326.08554	1.3
340.09726	2.6
347.35849	1.2
355.12067	7.1
385.12927	26.1
386.13361	3.5
398.79108	1.5
417.15558	90.9
418.15823	11.3
579.29938	1.9
639.34161	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	639.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.1
55.23991	1.2
57.03319	5.0
58.00473	1.4
59.01249	26.5
61.98680	1.8
64.84203	1.1
65.03820	1.6
71.01251	23.4
73.02818	4.8
77.72562	1.0
81.03341	2.2
83.01229	4.1
83.04911	7.5
85.02826	7.7
85.06467	3.5
87.00742	9.2
89.02326	11.4
91.05402	2.1
93.06966	1.4
95.01275	1.6
95.04898	2.0
97.02821	1.3
97.06470	3.5
99.00745	1.6
101.02329	15.8
107.04907	1.3
109.06483	4.4
111.04427	1.3
111.08029	7.7
113.02340	8.9
119.03365	1.4
119.04877	2.2
123.08041	2.0
125.02386	2.7
125.09608	12.3
127.11139	1.4
133.06491	2.6
135.08046	2.7
137.09619	2.7
139.07520	1.1
145.05008	5.3
161.04460	5.1
162.33647	1.1
163.11203	2.3
165.12727	1.7
171.10185	100.0
172.10493	4.0
179.05484	2.4
183.13776	3.0
185.11726	2.4
187.14813	2.2
189.16376	1.6
203.14355	2.2
205.15984	5.8
205.17699	1.1
207.13911	1.4
209.11780	45.4
210.12144	2.8
211.13338	47.8
212.13771	2.5
215.14380	7.1
215.75900	1.2
221.15436	4.3
231.13887	7.0
233.15437	29.3
234.15730	2.2
235.08197	17.5
235.13292	1.5
237.15129	1.5
249.14938	47.4
250.15277	3.8
251.16435	1.7
253.09233	11.6
331.26511	3.5
341.24811	6.4
357.24295	3.3
359.25931	3.3
367.22711	4.9
375.25317	4.6
385.23828	33.9
385.28589	2.4
386.23962	3.0
393.26733	2.0
403.24884	66.5
404.25214	6.1
407.19156	4.4
421.25851	20.9
422.26413	3.2
447.22745	1.4
466.98294	1.1
467.22623	2.0
477.28372	1.4
485.23660	4.1
495.29510	2.9
611.34229	4.6
621.32758	93.2
622.33087	19.1
639.33838	84.2
640.33899	15.4
644.53784	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	639.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63720	0.5
56.26115	0.5
56.66663	0.6
58.23028	0.6
59.01239	0.5
62.27437	0.5
62.31404	0.5
67.72185	0.5
69.35993	1.4
69.36409	2.8
81.85664	0.5
83.01260	0.9
85.02825	3.8
87.00740	0.9
93.03349	1.3
94.10468	0.5
107.01267	1.6
109.02883	1.4
120.99532	1.9
121.02850	1.8
125.02319	1.1
125.94067	0.5
127.03925	0.7
151.00272	8.6
155.80084	0.5
163.00256	2.1
169.01378	1.0
178.99773	4.5
187.03806	0.6
191.05533	23.3
192.05856	1.5
201.05510	0.6
211.03928	0.8
227.03343	1.5
229.04892	0.8
239.03488	0.7
243.02980	4.6
245.04463	1.7
254.02132	1.4
255.02945	14.8
255.05539	1.1
256.03351	1.3
271.02457	27.6
272.02917	2.9
283.02454	1.6
299.01819	0.7
300.02722	60.7
301.03464	47.5
302.03833	4.6
447.09268	100.0
448.09628	13.4
501.55081	0.6
538.15259	0.6
609.39374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1357
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
50.51730	0.3
57.03315	0.4
59.01200	0.4
61.98703	0.6
62.52821	0.3
63.02266	3.2
64.35169	0.3
65.00195	4.9
65.16479	0.3
70.46241	0.9
72.99187	0.3
83.01254	3.3
86.02322	0.3
88.98723	0.6
93.03342	1.4
107.01270	10.0
108.02081	0.4
109.02834	2.6
117.03328	0.5
121.02843	7.9
125.02323	2.6
133.02831	0.4
134.03625	3.3
135.00830	0.5
135.04398	0.5
137.02299	0.4
139.03923	0.8
148.01520	0.7
149.02367	1.2
149.05966	0.5
151.00275	37.1
152.00633	1.2
159.04410	0.5
160.01537	1.1
161.02345	1.8
163.00255	2.3
164.01039	0.9
167.04979	0.3
169.01338	4.8
171.04391	0.4
173.02435	0.3
175.03868	1.5
178.99780	18.0
180.00079	0.3
183.04446	0.7
185.06024	0.5
187.03923	0.9
189.05611	0.4
190.99875	0.4
192.00526	0.4
193.01353	1.0
193.04918	1.9
199.03941	1.0
201.05449	0.6
203.03448	0.5
211.03915	1.8
213.60324	0.3
215.03484	0.7
227.03433	2.9
228.04144	0.4
229.01527	0.4
229.05064	1.6
239.03532	0.4
243.02963	5.4
244.03458	0.5
245.04500	1.6
254.02190	1.0
255.02954	12.1
256.03488	0.9
257.04474	0.6
271.02481	26.0
272.02914	3.2
273.04089	3.2
283.02463	0.9
287.01883	0.4
299.01996	6.1
300.02740	41.7
301.03516	100.0
302.03882	8.3
315.05136	3.5
323.07648	0.5
445.07758	2.7
446.08173	0.4
447.09418	0.9
463.08795	7.4
464.09305	1.2
595.14355	0.6
639.13519	18.8
640.13947	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	639.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	0.5
63.02280	0.7
65.00203	1.9
69.19134	4.8
71.21825	0.4
71.22205	0.6
83.01275	1.2
89.03838	0.9
92.50571	0.4
94.44867	0.4
96.95889	2.0
107.01266	3.5
109.02841	1.8
112.32530	0.4
117.03369	2.2
123.00751	0.5
124.01539	2.5
125.02338	2.9
134.03638	19.8
135.00826	0.9
135.03920	0.7
136.01576	0.7
137.02361	4.9
148.01518	0.5
149.05981	1.0
151.00285	12.6
152.01006	0.8
159.04410	1.1
161.02415	0.5
163.00333	2.3
164.01099	1.3
165.01801	0.7
169.01318	2.2
173.02271	0.5
175.03859	0.6
178.99788	11.3
187.03914	1.3
192.00586	0.7
193.05002	9.7
193.06786	0.5
196.13181	0.5
199.03979	1.4
203.03351	2.8
204.04243	0.7
209.11844	2.1
211.13367	1.3
213.01724	0.8
214.02672	7.7
215.03499	2.1
227.03438	1.8
231.02979	1.4
232.03592	0.5
241.01186	0.5
242.02165	6.0
243.02940	6.2
259.02484	8.5
270.01682	7.5
271.02481	42.0
272.02805	2.9
287.01974	31.1
288.02518	3.3
299.01880	0.6
315.01483	18.1
316.02231	100.0
317.02905	25.9
318.03369	1.7
331.04556	1.9
350.70490	0.4
407.11697	0.9
431.53619	0.5
445.07745	4.4
463.08841	3.6
515.64105	0.5
527.66187	0.5
621.13812	0.4
639.13525	51.0
640.13947	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	637.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96880	0.4
55.01752	0.8
57.03310	1.4
59.01248	11.9
61.98688	1.1
63.94789	0.4
65.03828	2.8
69.03327	2.5
71.01254	13.7
72.99184	1.0
73.02811	2.2
79.05390	0.5
80.02521	0.4
81.03312	1.1
83.01259	2.1
83.04883	2.0
85.02827	3.9
85.99953	0.7
87.00753	4.5
87.04376	0.4
89.02313	5.5
91.03844	0.5
91.05383	1.6
93.03331	1.0
95.01262	1.1
95.04893	1.6
97.02854	0.6
97.06470	3.2
99.00755	1.0
101.02324	8.5
105.06982	1.2
107.04959	0.5
109.06489	2.4
111.00712	0.5
111.08067	0.6
113.02328	4.7
115.05427	2.5
116.54812	0.4
117.06983	0.9
119.03365	1.1
119.04858	0.4
119.08495	0.5
121.02892	0.5
121.06488	0.5
123.08066	2.0
124.01551	0.4
125.02339	3.1
125.08760	0.7
125.09614	10.1
129.06941	0.4
131.04932	0.7
133.80003	0.4
135.08038	2.4
136.08385	0.4
137.09566	0.5
142.52240	0.4
142.86444	0.4
145.04922	2.2
151.00208	0.5
157.10109	0.4
160.08943	0.4
161.04498	2.1
161.09573	0.5
163.11172	0.9
165.12737	0.5
169.01340	1.3
169.08614	0.4
171.10176	3.1
177.01901	0.8
178.99699	0.5
179.10765	0.6
185.09869	0.7
185.11729	4.2
185.13257	0.8
187.09686	1.8
187.14832	4.4
188.15141	0.6
191.10760	1.1
195.11700	0.9
203.14297	1.3
205.12280	1.1
205.15720	0.5
207.10271	0.5
208.69061	0.4
209.11766	12.0
210.11983	0.7
211.11348	0.6
211.13309	1.3
213.12810	6.9
214.13155	0.7
215.10649	1.6
217.12253	0.5
221.15431	1.1
227.14401	0.6
229.16049	0.6
231.11661	0.8
231.13852	13.3
232.14201	1.6
233.11807	2.4
235.08170	3.3
235.13394	1.9
236.08580	0.4
241.15448	0.4
243.13983	0.5
247.13377	2.0
249.14890	2.8
251.16440	0.5
253.09280	1.1
256.03418	0.6
261.15140	0.6
263.16553	0.4
271.02396	0.9
272.02905	0.5
273.14853	0.5
285.15033	1.3
286.04288	0.4
299.01840	0.5
300.02457	1.3
301.02914	0.8
313.03540	0.8
314.04010	0.9
315.04044	1.0
321.22336	0.8
329.24835	1.5
337.22046	0.5
339.23267	4.0
345.86304	0.5
347.20081	0.6
355.22665	1.8
357.24301	1.7
361.06952	0.4
365.20981	2.4
373.23801	3.3
375.25452	0.6
383.22244	16.0
384.22769	2.5
391.24908	1.2
401.23273	17.9
402.23608	2.4
419.24393	5.7
420.24655	1.1
445.20609	0.5
447.07071	1.1
448.07202	2.3
449.07739	3.2
450.08347	0.5
463.59677	0.4
475.27036	0.5
609.32678	2.0
619.31183	100.0
620.31500	19.8
637.14563	1.2
637.32239	23.7
638.32477	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	637.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.8
57.03303	2.0
58.00464	1.5
59.01249	32.5
61.98673	0.7
68.05177	0.6
69.03315	2.6
69.16348	3.3
69.16771	3.1
71.01252	43.1
72.01566	0.8
72.99174	3.3
73.02819	16.6
75.00736	1.1
81.03310	0.8
83.01258	3.5
85.02822	10.4
87.00766	2.2
89.02316	42.2
90.02624	0.7
93.03312	0.8
95.01260	2.1
96.95862	0.8
97.02820	3.6
98.19875	1.3
99.00756	18.6
99.04382	0.8
101.02324	28.5
107.04889	0.9
109.02841	0.8
111.00751	0.9
113.02327	7.8
115.03882	3.4
119.03386	2.7
119.04855	1.1
122.03625	0.9
123.04437	0.6
125.02329	8.3
131.03400	8.1
132.86702	0.6
135.04414	2.3
140.08176	0.6
143.03380	1.8
149.04460	21.1
149.05659	0.9
150.04745	1.0
151.00301	0.6
155.03447	0.6
159.02914	0.8
161.04492	2.3
161.05873	0.6
165.27916	0.6
168.07707	0.7
169.01321	1.1
179.05356	0.6
182.74190	0.6
187.09818	0.6
191.05560	6.8
212.95583	0.8
221.06561	0.8
227.07121	0.6
233.06621	6.4
251.07690	2.4
271.02414	0.7
285.04016	6.1
286.04398	1.1
293.08771	4.7
293.11838	1.1
311.12857	2.5
313.05673	2.6
316.02084	2.9
325.14297	1.9
329.14127	0.7
343.15482	40.0
344.15887	5.3
463.08957	2.3
505.20834	24.1
506.21143	3.2
637.24976	100.0
638.25293	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	637.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	14.6
59.01247	0.4
61.98684	0.4
69.19727	3.3
71.01244	0.9
78.52512	0.3
79.01781	0.6
80.72942	0.3
81.03338	1.4
83.01250	4.3
93.03346	0.8
95.04900	2.0
96.95922	0.6
99.94326	0.3
105.03349	4.8
109.02847	1.2
111.04397	0.6
117.03326	3.2
119.04915	12.9
120.05318	0.8
120.06180	0.3
121.02832	1.2
123.04417	0.4
124.01576	0.4
125.02335	100.0
126.02674	3.1
133.02847	1.4
135.04405	0.9
137.01280	0.5
137.02341	10.2
139.03914	1.0
145.02858	21.7
145.06514	0.5
146.03253	1.2
147.04469	0.4
149.02345	3.7
151.03920	0.6
151.15709	0.3
157.12250	0.4
159.04373	0.8
161.02348	42.1
162.02664	1.9
163.03914	39.8
164.04234	1.8
165.01842	0.6
166.02611	0.4
167.03395	1.0
169.01346	1.3
173.05940	0.7
175.03940	0.9
177.05470	4.4
179.03378	1.4
183.04430	1.0
185.02290	0.5
197.05977	0.8
199.03928	1.0
201.01921	0.6
201.05550	2.2
203.12840	1.2
209.11896	0.4
213.05473	0.7
213.24292	0.4
215.07080	0.3
219.06587	1.7
225.05542	1.3
227.03391	1.7
229.01425	1.7
239.10732	0.6
241.05058	0.5
241.08719	0.4
243.06584	1.6
245.04517	0.5
255.10257	0.4
261.07739	0.5
269.04529	11.9
270.05005	1.2
283.09750	20.0
284.10025	1.8
287.05594	9.8
288.06085	0.5
300.02844	1.1
301.03375	0.5
303.67593	0.4
305.06689	5.3
306.07181	0.4
317.13876	0.4
335.14920	0.7
349.16556	9.1
350.16882	1.0
401.23251	0.5
429.19284	0.7
447.09384	1.0
455.17157	0.6
456.47620	0.4
473.17822	0.4
499.19934	2.0
500.19922	0.3
555.88715	0.4
577.19434	1.8
593.23950	0.7
619.31555	0.5
637.32257	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	16.7
58.73184	0.5
59.01246	1.9
59.60160	0.6
61.98683	1.6
71.01257	2.6
71.50086	0.6
71.50482	0.7
81.03327	1.7
83.01260	4.8
85.02770	0.6
87.00762	0.8
89.02302	1.1
93.03313	0.8
95.01269	0.9
95.04914	2.7
96.95898	1.1
97.02800	0.6
99.00771	0.8
101.02301	1.9
105.03323	4.0
109.02821	1.7
113.02260	0.9
113.03996	0.6
116.92764	1.2
117.03329	3.4
119.04903	14.5
120.05265	0.6
121.02840	0.6
124.01506	0.7
125.02330	100.0
125.09548	0.7
126.02661	3.1
128.03429	0.6
137.02336	9.1
139.03857	1.1
145.02844	25.5
146.03255	1.4
146.04428	1.0
149.02332	2.2
151.00255	0.8
159.04309	0.6
161.02345	43.7
162.02750	2.3
163.03909	44.7
164.04239	2.8
165.01889	1.3
167.03412	1.5
169.01306	6.3
170.01747	1.0
171.10118	0.8
175.03885	0.7
177.01839	0.8
177.05482	5.6
179.03426	0.8
180.55530	0.7
183.04478	0.7
199.04028	0.9
201.02055	0.6
201.05537	1.9
203.03461	0.9
203.12865	0.9
209.11768	3.1
219.06555	1.3
225.05385	0.7
227.03397	2.1
229.01421	0.9
233.11720	0.7
243.06633	0.9
266.08157	0.6
269.04559	6.1
270.04910	0.7
283.09775	2.6
284.03265	0.8
287.05560	7.2
300.02875	0.7
301.03253	1.0
305.06638	5.3
343.15381	1.2
349.16565	9.2
366.06387	0.7
383.22073	1.2
401.23251	3.1
419.24426	1.0
499.19177	1.2
619.30591	0.7
637.32294	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	635.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44188	0.5
59.01245	2.1
61.96939	0.4
65.00191	1.0
83.01243	0.7
83.16400	0.5
87.34723	0.4
107.01260	1.8
108.02077	1.2
117.03352	1.3
119.04921	1.7
121.02773	0.5
122.98389	0.4
125.26229	0.4
133.02887	0.4
135.00793	0.9
145.02869	4.4
148.01552	1.3
151.00291	3.7
155.04979	0.4
163.00288	1.2
163.03926	1.6
166.53990	0.5
174.01883	0.5
178.99765	2.4
183.04419	0.6
187.03989	0.7
199.03883	2.5
201.01822	0.7
215.03484	1.2
226.02647	1.8
227.03430	3.8
228.03917	0.6
229.01294	0.6
229.26892	0.5
243.02934	12.4
244.03392	1.1
254.02106	2.2
255.02969	29.4
256.03317	2.7
271.02463	71.5
272.02942	6.5
275.09174	1.0
299.01974	9.9
300.02731	100.0
301.03244	10.3
371.04868	0.5
489.10376	35.8
490.10715	5.1
575.12360	1.0
593.12695	0.5
635.13971	25.7
636.14490	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	637.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.8
60.34274	0.3
61.98695	0.9
63.02267	0.7
65.00187	0.9
71.01241	0.6
83.01276	0.5
87.00799	0.4
89.02299	0.3
91.01782	0.5
98.20596	0.5
101.02267	0.3
107.01275	2.2
108.02073	1.4
109.02882	0.7
119.01225	0.3
121.02843	0.9
125.02305	0.7
135.00778	0.8
136.49385	0.3
148.01566	1.1
150.59891	0.3
151.00261	6.0
159.04373	0.6
163.00273	2.3
164.01089	0.7
169.01357	0.7
178.99785	3.9
183.04506	0.5
187.03857	0.4
192.00548	0.4
197.11780	0.3
198.03108	0.4
199.03951	0.8
201.01913	0.5
201.05396	0.3
203.03459	0.4
205.64661	0.3
209.11783	4.7
211.03951	0.8
211.13396	0.4
215.03470	0.7
216.04228	0.6
226.02660	2.0
227.03470	3.5
243.02954	12.2
244.03413	1.5
245.04411	0.6
254.02217	2.1
255.02968	29.0
256.03400	2.2
271.02475	59.9
272.02936	6.9
273.03769	0.5
283.02505	0.6
284.03232	0.3
299.02005	2.1
300.02731	100.0
301.03354	18.8
302.03677	1.2
317.63275	0.3
339.23248	0.4
373.23938	0.5
383.22205	1.1
391.24542	0.4
401.23355	2.2
419.24545	0.6
489.10324	4.1
490.10938	0.6
491.11118	0.4
577.13763	0.4
595.14893	0.7
619.31390	0.6
637.15582	67.9
637.30670	4.1
638.15967	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	633.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80810	0.2
66.07798	0.2
71.49245	0.3
91.58624	0.2
117.03348	24.1
118.03652	0.8
119.04912	3.7
121.02823	0.5
135.04430	0.9
135.57274	0.1
139.78639	0.1
145.02852	100.0
146.03186	3.9
150.54144	0.2
161.02350	0.2
163.03922	2.7
171.10165	0.3
179.03366	0.5
183.06538	0.2
190.55980	0.2
193.92082	0.2
297.11398	0.3
299.11926	0.2
368.62094	0.2
409.27014	0.2
425.30487	0.3
437.30676	0.4
439.32260	0.3
455.31549	0.7
456.31796	0.2
467.31396	0.8
469.33356	0.8
487.33783	0.3
497.25894	0.2
513.32324	0.3
633.37921	71.5
634.38275	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	633.3797
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
52.14963	0.2
70.78302	0.4
117.03349	22.3
118.03632	0.7
119.04919	3.6
121.02845	0.6
123.04460	0.1
145.02856	100.0
146.03189	4.2
163.03940	2.9
164.04216	0.2
185.94389	0.2
297.11304	0.2
409.27484	0.2
423.29138	0.2
425.30557	0.4
437.30817	0.2
439.32086	0.2
444.06146	0.2
455.31546	0.7
456.31921	0.2
467.31683	0.5
469.33151	0.8
487.34470	0.3
513.32257	0.2
633.37939	67.5
634.38275	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	635.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20127	0.6
61.98694	1.6
63.02253	0.8
65.00200	1.1
77.15289	0.6
83.48139	0.5
97.97804	0.6
107.01296	2.1
107.09780	0.6
108.02053	1.7
109.02883	0.8
117.03339	1.7
118.31216	0.6
119.04926	1.1
121.02840	1.2
135.00772	0.7
145.02852	4.9
148.01530	1.7
151.00259	7.5
163.00293	1.6
163.03825	0.6
164.00938	0.7
169.01434	0.6
178.99792	3.8
179.64059	0.6
198.03183	0.5
199.03981	1.9
201.75075	0.6
211.03929	1.2
215.03476	1.3
216.04230	0.9
226.02679	1.8
227.03337	2.3
243.02940	11.8
244.03369	0.9
245.04536	0.9
254.02200	1.6
255.00259	1.3
255.02954	25.7
256.03253	2.4
271.02457	60.9
272.02890	6.9
299.01956	3.1
300.02734	100.0
301.03363	22.4
302.03992	1.0
382.02466	0.7
429.08365	1.2
468.80557	0.6
489.10361	80.4
490.10684	9.2
511.44821	0.6
575.12244	0.9
634.58044	0.6
635.13989	42.4
636.14465	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	633.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58253	1.7
50.73929	1.9
55.01760	2.8
57.03318	4.9
59.01255	5.1
59.81259	1.9
61.97984	2.3
61.98692	4.3
78.14412	2.1
79.01774	7.2
86.59845	2.6
94.38059	1.7
99.07998	2.3
139.00224	3.4
139.03941	2.8
141.05424	2.0
143.04974	1.9
149.05988	8.1
163.03935	2.2
167.07097	15.6
168.07458	2.3
171.04436	24.4
173.06036	2.1
173.09529	2.1
177.43248	2.1
193.04994	13.5
194.05316	2.3
251.10725	3.8
253.12303	8.0
255.10175	3.4
267.10223	2.9
269.07858	2.2
271.09702	14.4
295.09933	5.3
297.07965	3.7
297.11301	65.1
298.11560	12.4
299.12030	2.2
313.10757	4.5
467.14609	2.9
471.34808	84.9
472.35007	6.5
491.14728	19.1
633.21033	100.0
633.30310	4.2
634.21185	19.7
652.31805	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	633.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78167	0.5
55.01757	3.0
57.03326	8.3
59.01245	1.0
59.03709	0.5
60.20779	0.4
68.99674	1.2
70.48969	0.4
78.71948	0.5
79.01762	10.0
79.05404	0.7
83.86219	0.5
87.04432	0.9
99.08028	1.5
101.03882	0.5
107.75675	0.5
109.02824	1.2
121.06486	1.6
125.05955	0.8
131.04916	0.6
141.05484	0.6
144.04234	0.5
147.04414	1.5
149.05989	12.7
150.03119	1.3
150.06252	0.7
154.99136	0.5
155.08545	1.1
156.05656	0.5
156.82907	0.5
159.08066	2.1
161.05959	0.7
163.04027	0.5
166.06250	1.1
167.07060	10.0
171.04439	5.3
171.10185	0.6
173.05971	0.8
173.09659	1.5
175.82059	0.5
178.02563	0.9
181.05064	0.6
183.08104	2.7
188.56212	0.5
193.04996	18.4
194.05415	0.8
195.08243	0.6
196.08891	0.9
197.09529	0.7
199.11455	0.5
200.08345	1.2
211.11259	2.6
213.09015	0.6
225.12712	0.8
229.12321	0.5
236.08415	0.7
251.10703	1.8
253.12325	18.1
254.12639	1.8
255.10201	1.8
267.10242	1.2
271.09647	2.7
272.10239	0.5
272.13959	0.6
279.10349	0.7
295.09854	3.0
297.11319	100.0
298.11658	8.5
313.10843	0.7
323.09183	0.9
404.21805	0.6
491.14893	2.5
633.21057	70.8
634.21368	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	633.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67047	0.5
59.01246	1.0
61.98696	1.8
67.01757	0.6
68.35791	0.5
69.03326	1.8
70.41183	2.1
71.01241	0.5
81.03317	0.9
83.01237	0.5
93.03331	0.6
95.01231	1.0
95.04900	2.5
96.95879	6.6
96.96808	0.6
97.02846	1.4
105.03352	3.1
108.02048	3.5
109.02849	3.6
111.04408	0.8
121.02819	2.2
122.03658	0.9
123.00751	1.2
123.04399	1.7
124.01505	1.0
125.02334	51.3
126.02644	2.0
128.03432	1.1
133.02835	2.1
137.02348	1.8
139.03906	3.0
141.01582	0.7
149.02380	3.0
150.03134	10.1
151.00282	1.2
151.03702	0.5
159.04407	0.6
160.01588	0.8
161.02344	35.8
162.02669	1.7
165.01842	1.8
165.05478	12.5
166.05804	0.8
167.03401	1.8
168.00511	0.7
169.01332	100.0
170.01660	3.1
175.03908	1.6
177.01843	19.0
178.02200	1.4
179.03348	0.9
180.04185	1.5
181.04968	2.0
187.03941	0.7
189.01852	7.4
190.02560	0.9
191.03517	0.7
192.00475	0.6
193.01382	3.3
195.06552	11.6
196.07268	1.9
203.03397	0.8
211.09718	1.3
216.00586	1.5
217.01373	12.1
219.02838	1.0
225.07668	1.0
227.09232	2.5
231.02843	1.0
233.04488	0.7
241.05005	1.7
243.02890	1.7
257.04605	1.6
258.05313	2.4
259.05930	3.0
271.02435	1.4
271.05841	0.7
272.03107	0.7
283.02557	0.7
284.03232	1.4
285.04013	1.4
286.04889	1.3
287.05524	1.4
297.04028	0.9
300.02747	1.9
301.03812	1.1
301.07138	27.3
302.07358	2.9
305.06998	0.8
313.07257	1.1
319.03613	0.9
321.04034	2.5
323.01678	5.1
339.05096	1.0
341.06573	8.6
342.07013	1.0
343.29239	0.6
345.22809	2.2
357.06168	3.8
371.07816	1.2
376.59955	0.6
389.16275	1.2
429.07495	0.6
439.22400	0.6
445.09137	2.2
463.10355	9.4
464.10617	1.4
469.07468	1.3
481.11374	24.3
482.11761	3.6
507.09485	3.0
508.10056	0.7
600.77460	0.7
633.12115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06528	0.8
57.03323	2.1
63.02271	0.7
65.00187	4.3
71.49191	1.4
81.03333	1.1
82.65566	0.6
83.01260	10.4
102.94277	0.6
107.01271	6.4
111.29824	0.7
125.02341	8.2
128.22150	0.7
137.02307	1.0
151.00276	43.3
152.00581	1.4
169.01335	100.0
170.01651	4.7
174.63977	0.7
178.99751	1.8
242.02196	1.0
271.02472	5.0
287.02087	3.1
316.02203	18.5
317.02823	4.1
454.04419	0.8
463.08807	19.9
464.09341	2.5
479.71732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	2.0
59.01250	32.4
61.98704	8.1
64.19189	0.7
66.91318	0.8
71.01251	30.8
72.99176	2.1
73.02821	9.4
79.27613	0.9
83.01237	1.9
85.02831	3.3
87.00774	1.1
89.02317	53.3
95.01268	0.8
97.02843	0.9
99.00770	14.5
101.02323	24.1
107.01289	1.1
109.02812	1.1
113.02345	6.7
116.92768	1.0
119.03397	2.4
125.02324	8.6
125.09621	3.2
127.11172	6.0
131.03400	10.0
137.02321	2.4
143.03415	2.0
149.04463	46.7
150.04887	1.1
151.00264	5.3
155.10683	1.7
161.02333	1.4
161.04466	4.5
165.09128	2.5
167.03293	0.8
169.01385	1.1
171.10207	3.8
178.99744	3.9
183.10173	1.5
183.13853	5.6
184.10500	0.8
185.11763	11.0
191.05550	9.1
192.05840	1.0
193.12343	1.1
197.11713	1.3
199.09695	1.6
201.11266	100.0
202.11583	5.0
209.11797	9.0
211.13342	88.4
212.13676	5.6
221.06660	4.6
227.12869	2.8
235.08208	5.9
251.07732	6.9
253.09274	18.3
254.09769	1.0
271.02411	1.6
281.17609	1.3
293.08826	1.6
300.02814	1.3
311.09903	3.4
316.02106	2.9
317.03000	17.4
318.03265	1.2
330.12726	0.8
337.23810	1.0
377.23468	3.4
395.24466	2.4
419.19272	1.1
437.20251	2.5
447.22403	4.6
448.22653	0.8
526.47815	0.9
571.31598	2.8
572.31659	1.0
601.22321	0.8
613.31726	1.0
630.62976	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	631.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27617	0.6
57.03307	2.9
59.01229	1.0
61.98701	0.6
65.56217	0.6
66.88773	0.6
71.50044	1.3
79.01749	4.7
96.95818	0.7
102.60581	0.6
104.00955	0.7
109.02881	1.1
117.03326	2.0
119.04864	1.1
129.59811	0.7
135.04414	1.3
137.02339	1.9
145.02861	10.5
146.03207	0.9
148.01596	1.0
149.05997	6.0
151.00253	2.7
159.08018	0.8
162.03113	1.7
163.03897	0.9
167.07028	3.8
169.01353	0.7
171.04454	1.9
173.09708	0.7
178.02570	1.2
178.99757	1.8
179.03401	2.3
183.08092	1.3
193.04990	8.5
194.05544	1.2
200.03947	0.6
201.05521	1.9
202.06282	2.9
253.12344	8.5
255.10258	1.7
258.12607	2.1
273.15015	1.9
287.22287	1.6
297.11304	100.0
298.11655	12.3
301.14435	26.0
302.14810	2.1
317.02997	7.8
389.12363	0.9
392.16245	0.8
474.50534	0.7
516.29858	0.8
557.43964	1.0
587.37427	5.5
631.37317	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	631.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03320	2.6
59.01238	1.1
69.14724	0.7
69.15060	6.6
73.12028	0.6
78.22503	0.5
79.01762	3.9
79.05381	0.6
93.58640	0.5
98.20604	1.4
109.02840	1.1
117.03352	2.2
119.04887	0.7
135.04436	1.3
137.02330	0.9
138.03078	0.5
139.15430	0.5
145.02850	8.8
146.03195	0.7
148.01558	0.9
149.05977	6.3
151.00285	2.2
155.45074	0.5
162.02983	0.8
163.03883	1.5
167.07008	2.4
171.04446	2.0
178.99733	1.7
179.03418	1.9
183.08018	1.3
193.05025	7.3
194.05748	1.3
200.08472	0.6
201.05542	1.5
202.06256	2.3
211.11261	1.2
215.10637	0.6
253.12370	7.8
254.12508	0.8
255.10219	2.1
258.12567	1.1
273.14969	2.3
287.22208	1.5
297.11316	100.0
298.11661	9.6
301.14450	21.1
301.17889	1.1
302.14755	1.9
317.02960	5.0
569.98279	0.6
587.37372	5.9
588.37695	1.3
595.29425	0.7
631.27570	1.0
631.37067	1.7
632.36957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03055	0.8
57.03325	14.2
59.01260	1.2
61.98701	2.4
65.00182	0.7
81.03333	1.7
83.01254	4.4
88.98677	1.3
89.64429	0.5
93.03352	1.0
95.04897	1.9
96.95895	2.5
101.02348	0.8
105.03341	6.8
106.03831	0.7
107.01279	2.4
109.02836	2.7
111.04285	0.5
125.02337	100.0
126.02644	3.7
133.02838	1.2
133.93713	0.6
137.02353	9.1
139.03842	1.0
149.02359	1.2
151.00259	5.2
151.03946	1.0
153.01746	0.6
161.02357	42.4
162.02711	1.9
165.01845	1.4
167.03358	1.3
169.01357	1.8
175.03963	1.6
175.32814	0.6
177.01846	0.9
177.05487	4.1
178.99770	3.7
179.03401	0.5
181.42502	0.5
183.04410	0.9
185.02286	0.6
185.11729	1.6
201.01866	0.6
201.05498	2.1
203.03514	0.9
209.11728	1.1
211.13199	0.7
217.04947	0.9
219.06549	1.2
225.05489	1.8
227.03487	1.2
229.01294	1.5
243.06635	1.5
269.04514	7.8
270.05075	0.9
271.02502	0.9
285.04114	0.8
287.02405	1.3
287.05582	14.3
288.06064	0.9
289.07324	0.9
290.07217	0.7
305.06744	4.6
313.10846	2.6
316.02243	1.3
317.03003	21.7
318.03418	1.4
325.10703	1.2
622.24390	0.7
631.08923	0.9
631.75189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96894	0.5
55.01748	0.6
57.03327	3.8
61.98708	1.4
63.19567	0.5
71.49132	0.6
79.01760	2.9
79.02174	0.5
86.19001	0.5
87.04420	0.8
96.96343	0.5
109.02799	1.2
111.12850	0.5
116.00246	0.5
117.03394	0.7
121.06469	0.8
135.04425	1.9
137.02351	1.1
145.02832	1.9
149.05984	5.5
151.00276	1.6
155.08466	0.5
162.03111	1.2
167.07036	2.0
171.04413	1.6
178.99803	1.0
179.03435	1.5
183.08116	1.3
193.04988	7.7
194.05609	0.6
200.08168	0.7
201.05530	0.6
202.06255	1.4
211.11235	0.8
225.12704	0.6
253.12343	11.4
255.10278	1.9
273.14865	1.0
297.11316	100.0
298.11667	9.9
301.14447	8.5
302.14789	0.9
317.02994	4.1
333.17172	1.3
393.63605	0.6
452.37491	0.6
553.54150	0.5
631.27777	4.9
631.36945	1.7
632.29987	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	631.0936
Annotation	Myricetin 3-(2''-galloylgalactoside)
Peak:m/z	Relative Intensity
63.02276	1.9
63.71331	0.3
65.00185	3.4
69.36171	2.3
69.36568	0.6
72.26347	0.3
73.67500	0.3
79.27287	0.3
79.93360	0.3
83.01254	2.5
107.01270	7.0
109.02834	5.5
110.03131	0.4
123.00773	0.6
124.01501	0.4
125.02350	1.4
125.95685	0.3
137.02338	17.5
138.02669	0.5
151.00269	28.5
152.00645	1.4
155.03413	0.4
163.00256	1.0
164.01105	0.3
165.01819	1.9
169.01320	2.1
178.99774	24.3
180.00145	0.8
192.00580	2.1
193.01324	1.3
203.03247	0.3
227.03377	0.9
243.03070	0.4
254.70030	0.3
255.02983	0.6
271.02548	2.2
287.01953	0.7
289.03558	0.3
299.01874	0.9
313.05652	0.6
316.02289	2.5
317.02994	100.0
318.03326	8.0
479.08487	1.8
631.09430	3.3
632.09552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0938
Annotation	Myricetin 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
53.34417	0.3
54.40766	0.3
55.07990	0.3
61.05312	0.3
61.98698	1.2
63.02264	1.3
65.00198	3.0
67.01763	0.5
69.25484	0.3
83.01270	2.2
89.02319	0.4
93.03337	0.7
95.01259	1.8
98.14223	0.3
107.01272	5.8
108.02077	0.5
109.02835	2.8
109.99966	0.9
111.00764	6.5
113.02450	0.3
121.02830	4.2
123.00758	2.1
123.04404	1.0
124.01557	0.6
125.02332	2.4
133.02847	0.5
136.98711	0.8
137.02351	5.5
137.99486	0.8
139.00267	13.6
139.03894	1.0
141.01768	0.4
147.04379	0.4
149.02356	2.1
151.00275	19.0
151.03903	1.1
152.00699	1.5
152.93323	0.3
159.04416	0.8
161.02362	0.9
163.00272	1.3
164.01019	2.0
164.98216	0.7
165.01761	0.5
165.98953	2.1
166.99777	12.0
169.01344	3.1
171.04439	1.2
175.03902	0.8
177.01842	0.7
178.99780	13.1
180.00255	0.7
183.04463	0.5
185.00813	1.2
185.02324	0.4
187.03896	1.0
190.99779	1.0
192.00581	0.9
193.01352	2.3
193.98532	0.7
194.99271	5.0
199.03978	3.8
201.01817	0.6
201.05504	0.4
203.03401	1.3
206.99353	0.4
208.00093	1.7
211.03854	0.5
213.90862	0.3
215.03331	0.9
217.05009	1.0
219.02846	0.4
227.03427	2.5
229.04953	0.6
230.01964	0.4
231.02979	1.4
243.02930	3.0
244.03267	0.4
245.04500	2.9
255.02956	3.4
256.03558	0.5
261.03857	0.4
262.54633	0.4
271.02457	9.0
272.02985	1.0
273.04037	6.1
274.04214	0.4
287.01990	0.8
289.03445	0.6
299.01971	12.2
300.02725	6.9
301.03528	21.5
302.03848	2.5
303.04352	0.4
313.05737	1.9
316.02170	3.1
317.03006	100.0
318.03366	7.4
329.04926	0.6
333.02542	0.6
375.43423	0.3
463.08820	8.5
464.08932	1.3
479.08328	1.0
604.08643	0.4
631.09033	2.8
632.08441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57193	5.9
57.03318	8.2
59.01243	23.4
65.00198	7.7
67.01760	7.4
68.99694	14.6
69.02948	4.7
69.03330	12.0
69.40047	17.6
69.40467	25.2
71.01248	29.5
72.99199	5.1
73.02821	8.9
75.00740	6.5
81.03324	40.3
83.01251	51.9
83.04903	6.7
85.02821	38.8
87.00737	11.7
93.03352	35.0
95.01250	17.3
95.04877	16.7
97.02823	39.6
99.00750	25.2
99.04416	14.0
99.80251	4.8
101.02336	15.7
106.85970	4.8
107.01259	13.6
107.04900	17.5
108.02053	11.2
109.02822	50.6
111.00738	25.9
111.04402	23.2
113.02342	31.1
114.86152	4.5
117.03297	4.6
119.04916	64.7
121.02832	34.9
121.06446	8.4
122.00099	6.0
123.00763	18.1
123.04395	72.5
124.01533	13.8
125.02323	89.1
127.00208	7.0
131.03392	8.4
133.02832	8.8
135.04416	30.4
137.02344	74.7
137.05988	18.0
138.03114	8.8
139.00258	11.7
139.03883	38.3
140.01163	6.0
141.01833	15.0
145.02837	7.9
147.04411	23.1
149.02322	23.6
149.05978	11.6
151.00255	33.4
151.03906	59.4
153.01836	27.7
154.02654	6.4
155.03439	5.7
159.04419	7.9
161.02310	11.8
161.05914	6.4
163.00282	7.0
163.03874	32.3
163.07480	5.4
165.01836	37.4
165.05493	37.4
166.02606	18.2
167.03415	100.0
169.01335	21.8
173.06146	7.3
175.03970	8.2
177.01860	22.9
177.05487	18.1
178.99788	17.2
179.03407	85.0
179.06898	5.8
180.04204	35.5
181.01349	18.1
181.04956	15.2
183.02914	10.0
187.03912	9.1
189.02005	6.2
189.05461	48.9
191.03387	32.8
193.01361	15.2
193.04970	42.2
194.05704	11.3
195.02881	52.7
197.04483	18.5
201.05569	5.3
203.03349	12.3
205.01367	9.4
205.05025	6.5
207.02933	32.2
207.04793	8.9
207.06682	8.1
209.04492	97.0
210.04855	6.7
215.03474	11.3
217.03194	6.4
217.05138	8.1
219.02954	15.8
221.04501	35.6
222.59290	6.1
225.03955	29.5
231.06761	8.1
233.04536	17.4
235.02411	14.7
237.03969	13.1
239.05527	46.2
243.06606	8.7
249.04063	12.3
249.07607	7.4
251.05595	20.3
255.05016	11.9
259.02472	9.9
261.07684	10.7
263.05493	30.0
265.03668	5.5
269.06680	13.9
271.02438	18.8
271.05573	6.0
273.07660	20.6
275.05588	5.8
281.06525	10.8
285.07581	16.7
287.01886	16.5
287.09262	11.4
293.06641	15.0
297.07675	16.3
299.09503	4.9
300.02740	13.6
300.09998	9.4
301.03494	35.9
301.07153	68.8
302.07617	7.9
305.06787	5.5
313.07224	8.7
315.01385	44.0
315.08762	52.8
316.02145	29.3
327.08820	42.2
328.09415	10.4
331.08081	12.7
339.08563	5.9
341.06390	7.5
343.08389	24.0
345.09341	15.2
355.07645	11.6
357.09772	57.3
358.10266	7.9
363.10812	6.3
371.07751	6.6
373.09225	17.1
377.57739	6.1
385.08749	7.4
387.10706	29.7
389.08670	43.3
397.09250	6.8
401.08798	8.6
417.11807	6.0
419.09625	39.7
421.11383	40.9
431.09503	6.6
447.12869	19.3
448.13788	9.8
449.10794	12.5
463.12524	42.2
464.12589	6.8
465.14008	11.3
467.02319	14.1
468.03693	5.3
473.10995	5.9
475.12265	7.7
476.13074	18.7
477.10672	7.5
477.14117	7.8
491.11923	38.6
492.12610	13.0
509.12881	64.0
510.13531	6.3
521.12531	7.7
567.16974	8.9
585.18420	11.6
596.17554	20.6
611.16119	29.2
612.16516	12.9
614.00934	5.7
629.17059	56.8
630.17584	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	629.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	14.8
57.98801	0.2
58.03658	0.3
59.01234	0.6
60.73603	0.2
61.98698	1.3
69.03288	0.2
71.01231	0.3
71.13684	0.5
81.03316	1.7
81.78746	0.2
83.01252	4.2
87.78851	0.3
89.02316	0.3
93.03342	0.8
95.01262	0.3
95.04887	2.4
96.95869	1.2
101.02347	0.4
105.03337	5.2
108.02014	0.3
109.02831	1.2
119.04901	0.4
121.02859	0.9
123.00770	0.4
123.04395	0.4
124.01567	0.6
125.02328	100.0
126.02667	3.1
131.04890	0.6
132.02039	0.2
132.05678	0.6
133.02858	1.3
133.06502	1.3
135.04326	0.3
137.02339	7.2
139.03873	0.6
143.04884	0.3
145.02838	0.5
145.06520	0.4
149.02318	1.2
149.05978	0.3
150.02998	0.3
151.03871	0.4
151.09169	0.2
158.03651	1.0
159.04451	1.8
160.01584	0.5
161.02341	43.8
161.05910	1.4
162.02663	2.3
164.04669	0.4
165.01811	1.7
165.05348	0.3
166.02611	0.5
167.03378	0.4
169.01300	0.3
171.10150	0.7
173.05946	0.3
175.03914	0.9
176.04671	0.5
177.01862	0.3
177.05482	4.2
178.05734	0.3
179.03418	0.7
183.04298	0.4
185.02449	0.4
185.88351	0.3
190.02559	0.3
191.03416	0.4
197.06020	0.5
199.03990	1.0
199.07529	0.3
201.05540	1.8
201.11247	4.1
203.03322	0.3
205.04990	1.1
208.03641	0.5
209.11760	4.6
213.05421	0.2
219.06528	1.2
221.11824	0.4
223.03819	0.2
223.13278	0.3
225.05463	1.0
226.06000	0.3
227.03450	0.7
229.01344	0.4
235.08057	0.4
239.12947	0.3
241.04990	0.5
243.02879	0.3
243.06564	1.0
245.04504	0.5
249.05476	0.3
251.07146	1.1
252.07935	1.9
253.09189	0.9
263.06921	0.3
264.07874	1.0
267.10333	0.7
269.04517	3.1
278.05789	0.4
279.06628	0.7
286.04767	0.3
287.02383	0.3
287.05548	6.1
288.05981	0.5
293.08273	0.8
296.06870	0.5
297.11218	0.4
305.06641	3.3
306.07321	0.3
307.05896	0.3
308.07065	0.8
308.90518	0.2
311.09216	4.9
312.09595	0.6
315.01251	0.4
323.09222	6.3
324.09464	0.6
341.10239	5.7
342.10562	0.6
375.21713	0.4
393.22812	0.3
433.13348	0.3
445.12851	0.8
567.16760	0.4
599.15540	0.4
611.15741	0.3
629.31519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
59.01247	0.8
59.27692	0.3
69.03316	0.6
70.47810	0.3
70.97723	0.3
70.98042	0.4
71.04893	0.7
85.02830	2.2
85.06477	1.2
87.04374	0.3
95.04910	0.5
97.06479	2.0
99.04398	19.6
100.04742	0.6
108.02081	0.4
111.00799	0.3
111.04401	1.0
113.02329	6.7
113.05968	7.1
114.02662	0.3
114.06369	0.3
119.78687	0.3
123.04380	0.7
125.02348	1.0
127.03899	0.3
135.71518	0.3
137.05989	0.9
139.03906	4.0
139.07555	4.6
141.05475	56.8
142.05800	2.1
155.07091	0.4
165.05476	1.2
183.06551	100.0
184.06889	3.9
197.11984	0.3
206.70198	0.3
217.04889	0.3
217.40051	0.3
230.07176	0.3
243.06535	0.5
263.39948	0.3
283.09885	0.4
297.11563	0.4
399.15796	0.4
443.14682	0.3
461.15909	0.6
467.14737	0.5
485.15994	1.0
609.21600	1.4
627.22491	1.1
628.22699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72182	0.4
57.03305	1.0
59.01241	3.5
61.98687	0.5
69.03302	1.2
71.01252	3.2
71.48719	0.7
72.99154	0.4
73.02814	0.5
75.13554	0.4
79.01753	1.0
83.01252	0.4
83.04894	0.8
85.02808	1.2
87.00745	1.2
89.02296	2.7
90.31211	0.4
96.34735	0.4
99.04368	1.3
101.02306	3.0
111.04378	0.5
113.02320	2.2
113.05981	0.5
119.03388	0.8
119.04895	2.1
141.05472	3.1
141.09116	0.6
145.04982	0.8
149.05991	1.0
153.12741	1.3
161.04486	1.0
164.08440	0.4
167.07039	2.9
167.10728	0.5
169.12247	5.6
179.05627	0.6
179.10759	0.5
181.12263	0.5
183.06532	4.9
183.13812	6.9
184.06874	0.5
185.11722	0.8
193.04964	2.3
193.12204	2.3
197.11757	94.2
198.12097	5.5
205.86075	0.5
209.11787	1.4
211.13333	100.0
212.13683	6.7
223.13419	0.5
235.08199	2.8
253.09267	9.1
253.12302	1.8
255.15141	0.4
297.11310	8.2
298.11725	0.7
313.10776	2.9
329.10437	1.6
329.25128	0.6
355.23096	0.5
373.23868	1.4
391.25003	1.5
415.19775	0.6
429.21420	0.9
433.20755	3.6
434.21204	0.5
447.22302	4.4
448.22614	0.6
548.93719	0.5
583.31030	0.5
609.32556	2.0
610.34235	0.5
627.22577	0.5
627.33594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.3
57.03312	3.8
59.01238	1.8
68.99681	1.9
71.07834	1.9
79.01750	4.9
81.34296	0.9
85.02819	3.2
85.06455	3.5
87.04397	1.2
95.04893	1.6
97.06466	3.6
99.00753	6.3
99.04392	16.5
99.08034	12.1
109.02773	0.9
111.04394	3.2
113.02317	7.0
113.05965	14.4
122.03624	1.2
122.51021	0.9
123.04386	2.1
133.15802	0.9
134.49249	0.9
135.04419	1.9
137.05986	5.4
139.03893	3.8
139.07550	3.7
140.54593	1.1
141.05473	63.0
142.05772	2.6
144.06612	0.9
147.04338	1.4
149.05890	2.3
151.03899	1.0
153.05482	9.9
165.05516	1.5
167.07050	55.2
168.07359	2.0
171.04427	2.1
179.03416	1.7
179.07025	4.8
183.06552	100.0
184.06917	5.3
191.03403	1.1
193.04999	5.1
195.06551	7.1
197.04533	1.2
197.11722	1.1
211.13194	1.3
213.07545	3.2
219.59114	0.9
224.03218	1.0
239.10837	1.0
253.12253	7.4
255.10045	1.1
271.09738	1.7
281.08212	1.3
283.09756	17.8
284.10068	1.8
297.11313	43.0
298.11682	4.9
309.07779	1.5
311.09244	1.3
313.11624	1.2
334.72812	1.0
351.08618	1.3
356.57693	1.0
369.14832	1.4
387.15869	2.8
413.13815	6.5
431.14890	6.1
437.13779	1.6
455.14624	1.4
481.12766	3.5
482.55002	1.0
521.17694	2.6
609.21368	1.6
627.22162	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03320	1.5
59.01255	2.4
61.98658	0.4
69.03323	0.7
71.01252	1.1
71.04896	0.7
71.49100	0.4
73.02793	0.3
83.01226	0.3
83.04905	0.3
85.02824	2.2
85.03272	0.4
85.06467	1.1
87.00758	0.4
87.04409	0.4
89.02328	0.7
89.80408	0.3
95.01262	0.4
95.04877	0.3
95.08546	0.3
97.06454	2.5
97.33038	0.3
99.04391	17.6
100.04750	0.5
101.02374	0.5
108.02067	0.4
111.00765	0.4
111.04385	1.2
113.02328	5.9
113.05968	6.7
123.04433	1.0
125.02315	0.8
137.05971	0.7
139.03900	6.4
139.07552	4.1
141.05470	52.9
142.05803	1.8
155.06918	0.3
164.68527	0.3
165.05479	1.0
167.07094	0.5
167.10628	0.3
169.12247	1.0
171.10167	0.4
173.05853	0.3
183.06548	100.0
183.13812	0.8
184.06853	4.3
185.11752	5.4
193.12341	0.4
195.13805	0.3
197.11757	12.8
198.12051	0.6
199.13393	1.5
209.11769	3.1
211.13335	12.5
212.13649	0.5
223.13354	3.0
235.08173	0.6
243.06561	0.5
253.09239	1.8
255.02963	0.8
271.09656	0.6
284.03177	0.4
297.11331	0.9
313.10849	0.5
373.23630	0.4
391.24805	0.4
399.16171	0.4
433.20541	0.5
443.15039	0.6
447.22363	0.7
485.16147	0.4
609.20721	1.0
609.32788	0.9
627.22491	2.5
627.32104	0.5
628.22296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00312	0.3
54.47699	0.3
55.01754	0.4
57.03318	1.0
59.01242	2.1
61.98704	0.9
69.03323	0.9
69.43182	2.0
71.01253	1.1
71.04889	1.0
73.77690	0.3
74.49671	0.3
83.01258	0.3
85.02809	2.9
85.06463	1.4
85.88739	0.3
87.00777	0.6
87.04371	0.4
89.02298	0.4
95.04906	0.8
97.06481	2.4
99.04393	18.6
100.04722	0.7
101.02322	0.7
108.02045	0.6
111.00735	0.3
111.04404	1.1
113.02332	5.9
113.03082	0.6
113.05966	6.5
116.15435	0.3
119.90243	0.3
123.04406	0.9
125.02322	1.7
127.03909	0.4
137.05992	0.6
139.03906	6.1
139.07547	4.6
140.04303	0.3
140.07895	0.4
141.05469	54.0
142.05803	1.6
149.04463	0.3
155.06967	0.5
165.05482	1.0
167.07036	0.4
169.01265	0.3
169.12268	0.7
183.06546	100.0
183.13823	1.1
184.06873	3.9
185.11726	1.9
197.11766	12.0
198.12177	0.5
199.13318	1.3
209.11798	3.5
211.07689	0.5
211.11235	0.6
211.13322	12.1
212.13634	0.5
223.13374	0.9
227.03389	0.4
235.08127	0.4
243.06566	0.4
253.09326	1.9
255.02940	1.0
271.02512	1.1
271.09811	0.9
284.03278	0.8
285.03903	1.0
298.79559	0.3
300.02756	1.0
313.10907	0.6
373.24149	0.3
391.24896	0.7
399.15942	0.6
433.20795	0.3
447.22446	0.6
609.21057	0.9
609.32269	0.6
627.22302	2.7
627.32043	0.6
628.23328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.5
61.98697	0.7
63.02283	0.5
65.00208	0.5
65.44845	0.3
70.04780	1.2
71.01241	0.7
73.02795	0.3
83.01260	0.6
100.71061	0.3
107.01275	1.3
109.02827	0.4
119.04909	0.3
121.10139	1.6
124.01544	2.2
124.08334	0.4
125.02337	1.4
135.00745	0.8
136.01488	0.4
137.02332	1.2
137.45828	0.3
148.01526	0.4
148.05452	0.3
151.00272	4.8
152.01028	0.9
159.04433	0.5
161.02405	0.4
161.04527	0.3
163.00221	1.5
164.01134	1.6
165.09123	1.8
169.01338	1.3
171.04449	0.5
171.10202	0.6
175.03871	0.4
178.99763	5.0
183.06537	0.5
185.02411	0.4
187.03920	0.9
191.03497	0.3
197.02374	0.3
197.11804	5.0
198.12083	2.0
199.03957	0.8
203.03531	1.8
204.04163	0.5
207.06676	0.8
209.11772	4.1
210.12125	1.8
211.13396	2.1
212.13643	0.4
213.01903	0.5
214.02647	6.4
215.03397	1.0
217.01346	0.4
227.03513	1.0
231.03008	0.6
232.03682	0.4
241.01450	0.5
242.02158	5.0
243.02948	4.7
244.03581	0.6
253.09201	0.4
259.02463	7.5
260.02847	0.9
270.01700	6.6
271.02472	34.3
272.02820	3.0
287.01968	27.0
288.02548	2.9
294.94238	0.3
313.10764	0.7
314.97690	0.4
315.01459	12.4
316.02225	100.0
317.02756	14.1
318.03317	0.4
391.24496	0.4
461.07230	2.8
462.07938	0.4
479.08133	1.8
535.07166	0.4
609.32123	0.5
627.17163	27.7
628.17542	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	627.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39907	0.3
59.01249	3.1
61.98672	0.3
63.02263	0.4
65.00173	0.8
66.91459	0.3
71.01248	3.0
71.13332	0.3
71.13692	0.3
72.01577	0.4
83.01233	1.0
85.02801	0.5
85.98223	0.3
87.00723	0.5
89.02319	2.2
90.02656	0.3
97.02811	0.5
101.02328	1.9
107.01290	1.7
107.05442	0.3
109.02796	0.8
113.02276	0.9
119.03371	0.5
119.04830	0.3
121.02816	0.4
124.01520	1.3
125.02357	1.4
137.02316	2.6
143.03299	0.4
151.00278	8.6
152.00931	0.9
159.04497	0.4
161.04323	0.4
163.00345	1.6
164.01006	0.8
165.01915	0.4
165.12724	1.0
166.12988	0.5
169.01270	0.8
178.99776	8.0
180.00012	0.5
183.13812	7.9
184.14154	4.4
185.14394	0.8
187.03864	0.4
189.05412	0.5
190.06197	0.4
190.99802	0.6
192.00552	0.8
193.01366	0.4
199.03806	0.4
201.01840	0.4
203.03430	0.7
214.02646	3.5
215.03215	1.0
216.04076	0.3
219.03090	0.3
225.47656	0.3
227.03413	1.0
227.12788	1.2
228.13109	0.6
232.03801	0.4
242.02196	3.5
243.02948	2.7
244.03546	0.3
255.02872	1.3
259.02451	5.0
270.01666	5.4
271.02460	29.2
272.02768	2.9
277.54352	0.3
287.01971	15.3
288.02417	1.9
289.02902	0.3
299.01849	0.9
300.02777	3.0
301.03528	2.5
303.12314	1.3
315.01511	2.7
316.02216	83.5
317.02878	24.9
318.03262	2.1
329.02942	0.7
397.14008	0.3
398.13788	0.6
399.14279	0.4
416.14828	0.4
417.14828	0.4
433.66116	0.3
447.09094	0.5
462.07861	0.9
463.08801	100.0
464.09103	10.8
465.17676	0.9
481.07797	0.5
505.09827	2.5
506.10272	0.3
533.09729	0.4
577.67255	0.4
609.12701	1.3
626.27411	10.5
627.13629	12.5
627.27667	11.9
628.14227	1.9
628.23431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46531	0.3
63.02254	0.7
65.00197	1.4
69.96358	0.3
70.11398	0.3
70.36231	1.1
70.36613	0.6
77.92334	0.3
83.01281	0.9
93.03330	0.7
94.99834	0.3
98.20520	0.3
107.01276	2.5
109.02836	1.6
121.02826	2.3
123.00780	0.4
124.01559	3.5
125.02344	1.4
135.00749	0.5
136.01553	0.6
137.02328	3.8
145.02844	0.3
148.01520	0.5
151.00261	10.4
152.00943	1.3
159.04395	0.4
161.02277	0.6
163.00290	2.0
164.01077	2.1
165.01813	0.8
166.91280	0.3
169.01355	1.2
175.03967	0.5
178.99782	11.4
180.00128	0.3
185.02356	0.5
187.03946	0.3
190.99696	0.4
192.00449	0.5
199.03961	0.8
201.01721	0.3
202.27989	0.3
203.03427	1.4
204.04085	0.6
205.04585	0.4
205.77782	0.3
213.01842	0.3
214.02641	7.7
215.03314	1.2
227.03445	1.5
231.02727	0.4
232.03673	0.4
242.02145	6.8
243.02887	4.6
244.03365	0.6
255.02914	0.4
259.02454	7.0
260.03030	0.8
261.03864	0.4
270.01685	7.9
271.02454	48.5
272.02792	4.0
282.62473	0.3
287.01962	27.2
288.02493	4.1
297.43707	0.3
299.01923	0.4
300.02649	1.5
301.03491	1.1
315.01166	1.7
316.02209	100.0
317.02820	21.4
318.03284	1.3
399.80444	0.3
409.16006	0.4
463.02121	0.5
463.08783	16.0
464.09293	1.5
505.09845	19.9
506.10059	2.6
533.09558	1.0
591.31024	0.3
609.12433	42.4
610.12817	6.4
627.13525	24.4
628.13837	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38115	0.4
55.01759	0.9
55.30042	0.4
57.03326	1.2
58.00456	1.2
59.01247	26.4
60.01590	0.5
60.38060	0.4
65.00185	0.5
69.03327	1.5
69.96829	1.5
69.97231	1.0
70.55430	0.4
71.01249	18.0
72.99178	1.1
73.02827	2.5
79.70921	0.6
81.03336	0.7
83.01240	2.2
85.02822	4.1
87.00758	2.9
89.02316	15.1
95.01255	1.6
97.02824	2.6
99.00774	1.1
101.02320	12.3
101.14782	0.5
107.01286	1.7
109.02841	1.3
111.08035	0.9
113.02339	6.6
119.03372	3.6
119.04885	0.7
125.02334	4.2
131.03435	0.6
135.76328	0.4
137.02342	2.4
143.03407	2.0
151.00261	5.2
161.04445	1.4
163.03934	0.5
165.12747	10.5
166.13022	0.8
169.01395	0.9
178.70808	0.5
178.99770	3.5
179.05496	1.1
183.13824	79.0
184.14159	5.2
185.04417	0.6
209.11920	0.7
214.02686	0.9
215.03220	0.6
220.81767	0.4
221.06642	1.8
227.12822	11.4
235.08163	2.1
242.02222	1.1
243.02866	1.6
253.09251	0.8
259.02405	0.8
270.01535	0.8
271.02472	6.4
278.05673	0.5
287.01907	4.0
288.02380	1.0
301.03470	2.4
315.01468	2.3
316.02228	14.6
317.02966	12.3
318.03360	1.3
397.13422	9.0
397.18448	0.6
398.13916	1.0
415.14587	6.0
416.14951	0.6
479.08804	2.3
540.93060	0.5
557.03052	0.5
572.21112	0.5
579.87164	0.6
590.57343	0.5
607.25977	1.5
625.12592	4.8
625.27094	100.0
626.11755	1.3
626.27435	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	8.6
57.03323	1.2
59.01246	6.6
61.98694	0.9
62.90400	0.7
77.17811	0.7
85.02835	2.1
93.72319	0.6
95.04860	1.4
96.95882	1.0
97.06467	1.6
98.19793	1.5
99.00772	2.4
99.04398	5.7
99.08041	1.5
101.02327	1.0
111.00751	1.6
111.04429	1.2
113.02335	4.3
113.05976	5.4
137.05975	1.6
139.03912	6.1
139.07498	2.2
139.68085	0.8
141.05475	20.3
145.90170	0.7
163.03914	0.9
165.05472	2.6
166.06247	2.5
167.07057	7.8
169.06396	0.7
171.04381	1.2
181.04984	0.7
183.06554	22.1
193.04912	1.1
197.08154	0.9
209.09653	0.7
209.11729	1.6
211.11214	2.9
233.09671	1.0
235.11177	0.8
239.10783	0.9
240.38530	0.7
247.11327	0.9
251.07127	0.8
253.08749	0.9
255.10214	8.1
259.11176	1.4
265.08707	2.1
267.10120	1.6
277.08746	1.6
291.10184	1.2
293.11816	1.4
295.09741	5.6
297.11191	0.9
319.10114	0.9
321.11227	1.7
337.11047	0.8
339.17490	3.1
359.09109	2.6
368.14139	3.5
383.16528	27.8
384.16891	3.9
388.25705	1.2
398.31552	0.8
450.83170	0.9
451.15497	10.4
489.15811	0.9
533.19598	2.7
575.19958	0.9
593.21783	100.0
594.22144	18.5
624.34265	2.1
625.24493	33.0
625.34766	2.4
625.80017	0.9
626.24615	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	625.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	9.4
55.64934	0.6
57.03313	1.5
59.01247	7.9
61.98711	0.8
65.00203	1.0
69.03322	0.9
69.25409	3.6
69.25842	3.3
71.01267	4.5
73.02793	1.0
73.67424	0.6
81.03347	0.7
83.01250	1.2
83.04890	0.9
85.02839	2.6
87.00758	1.1
89.02322	1.8
95.04922	1.6
97.06471	1.1
99.00769	2.0
99.04409	4.7
99.08059	1.2
101.02329	3.2
108.02066	1.2
111.00772	1.8
111.04366	1.1
113.02354	7.4
113.05975	4.9
116.92776	0.7
118.96288	0.6
119.04948	0.7
122.03629	0.9
123.04398	1.2
125.02330	1.0
137.05983	3.7
139.00281	1.3
139.03918	7.6
139.07570	2.1
141.05486	20.2
149.05992	0.9
151.03929	1.0
152.04686	1.1
163.03857	0.8
165.05495	1.9
166.06293	1.9
167.07059	6.7
171.04407	1.2
171.08107	0.7
179.05473	0.7
181.05116	0.9
183.06564	20.3
184.06897	0.8
193.04980	1.4
197.11786	2.4
209.11807	3.0
209.54042	0.7
211.11223	2.8
211.13167	1.1
235.08080	2.3
237.09103	1.2
251.06944	0.9
253.09026	1.0
255.10262	6.3
255.28427	0.7
256.10733	0.8
259.11160	1.2
265.08521	1.7
267.10107	1.2
277.08759	2.2
277.12134	1.1
283.15466	0.9
291.10245	1.4
293.11719	1.2
295.09790	6.1
297.11359	4.1
301.10767	5.7
324.15149	1.0
326.25623	1.6
337.10782	1.6
339.17645	2.0
353.11948	0.9
359.09152	2.3
360.26535	1.1
367.13202	1.2
368.14215	3.0
370.24615	2.5
371.25244	0.8
383.16556	24.9
384.16940	4.6
387.25345	6.2
388.25732	10.6
389.26266	4.7
405.26328	3.7
406.26727	6.1
407.27277	4.4
419.16318	1.0
441.13284	0.8
451.15454	9.1
452.15753	1.6
455.14853	1.3
458.90009	0.8
523.17560	2.9
533.19635	2.4
549.23700	0.9
575.20898	1.9
593.21796	100.0
594.22101	21.7
624.34625	9.8
625.24481	6.2
625.34967	14.1
626.25024	1.2
626.35101	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	625.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	11.4
57.47588	1.1
59.01250	6.3
63.94494	1.1
71.49067	1.8
79.01773	1.0
85.02831	2.3
86.63233	1.1
95.04916	1.3
99.00784	2.5
99.04394	5.5
111.04398	1.8
113.02312	4.3
113.05975	6.0
137.05997	3.6
139.03894	7.5
139.35570	1.4
141.05469	23.9
165.05452	2.2
166.06248	1.6
167.07085	13.4
183.06546	26.9
183.13818	4.6
197.08081	1.4
197.11751	17.3
209.11787	22.7
211.11243	4.6
219.56633	1.1
226.69850	1.1
233.09486	1.2
251.07146	1.3
255.10269	9.8
256.10687	1.7
259.11224	1.8
265.08389	1.5
269.08099	2.3
275.24405	1.3
277.08698	2.2
279.89536	1.3
295.09698	5.8
297.11172	3.3
339.17361	2.4
353.11493	1.7
359.09146	2.2
367.13498	1.4
368.14120	4.7
383.16574	36.9
383.21390	2.5
384.16833	4.7
451.15576	10.1
452.16061	2.4
462.82040	1.1
533.19489	1.7
589.18317	2.7
593.21796	100.0
594.22034	22.9
625.24371	28.1
626.24298	7.9
648.24133	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	625.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.1
57.03326	1.8
59.01239	2.2
66.48463	1.1
71.50569	1.4
86.29252	1.0
87.41622	1.0
97.02829	4.1
99.04367	1.5
99.08020	13.4
108.02045	1.5
110.15282	1.0
113.02332	1.1
113.05949	1.2
137.05998	12.9
139.03876	3.8
141.05472	7.0
145.06439	1.1
147.04454	1.2
150.15013	1.1
152.04727	6.4
165.05490	3.2
166.06218	2.2
167.07045	100.0
168.07394	4.6
171.04436	3.3
181.08615	2.6
183.06564	9.9
183.72214	1.1
189.05466	3.1
191.03410	8.9
198.20052	1.1
207.36392	1.2
209.11615	1.2
211.11240	4.0
228.11263	1.2
251.10747	3.0
255.10229	18.6
256.10461	1.6
264.36484	1.1
267.10266	1.6
269.11810	3.3
273.41486	1.2
275.10831	3.4
278.09525	2.5
279.06647	1.6
291.10623	1.1
293.11566	6.0
294.08954	2.7
295.09625	6.6
297.11252	13.4
309.11340	1.3
337.10800	38.3
338.11194	2.6
368.14072	2.0
383.16544	10.6
384.17160	2.4
424.23560	1.0
425.13727	1.8
451.15442	2.0
489.21576	1.4
534.20813	1.4
549.22418	2.0
593.21747	47.6
594.22058	10.5
625.24438	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	625.141
Annotation	Myricetin 3-neohesperidoside
Peak:m/z	Relative Intensity
60.56109	0.6
65.00208	0.8
70.06281	2.5
85.50829	0.7
99.82688	0.5
107.01263	1.2
125.02332	1.7
135.75401	0.8
137.02315	1.1
149.99522	0.6
151.00287	8.5
163.00331	0.9
164.01080	0.7
165.01817	0.7
171.04424	1.4
174.05893	0.7
175.00304	1.3
178.99808	1.8
187.03908	1.5
189.01775	0.8
190.99734	0.7
192.00456	0.8
193.01430	0.9
199.03944	1.3
203.03415	2.2
215.03461	3.5
217.01465	0.6
231.02979	2.1
240.59013	0.6
241.01448	1.2
242.02103	1.6
243.02962	3.8
259.02448	6.6
269.00937	1.0
271.02487	6.4
272.02682	0.7
287.01974	53.0
288.02316	6.2
299.02036	7.1
300.02505	1.7
301.03491	2.5
310.89468	0.6
315.01462	100.0
316.01965	16.6
317.03006	19.2
318.03525	1.0
462.07928	1.9
463.08749	4.0
478.07532	29.5
479.08215	11.5
480.08420	0.9
625.14081	77.6
626.14301	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	625.1407
Annotation	Gossypetin 7-glucosyl-(1->3)-rhamnoside
Peak:m/z	Relative Intensity
59.01253	2.4
63.02258	0.6
65.00195	2.4
71.01251	1.2
71.04222	0.4
71.04549	0.6
83.01265	1.3
83.04884	0.4
87.00742	0.5
89.02316	1.2
101.02316	1.2
107.01265	5.1
109.02841	2.7
110.85144	0.3
113.02306	0.6
119.01202	0.4
119.03349	0.5
123.00739	0.6
124.01556	2.9
125.02370	2.6
135.00769	0.9
136.01544	0.7
137.02335	8.8
148.01564	0.7
151.00272	19.4
152.00871	1.3
153.79546	0.3
163.00259	3.8
163.11192	0.4
164.01094	2.3
165.01801	0.8
166.99805	0.4
169.01338	1.6
175.03947	0.7
177.01877	0.4
178.99776	18.3
180.00165	0.7
183.04353	0.4
185.02448	0.6
187.03955	0.5
189.01810	0.6
190.99725	0.5
192.00595	1.2
193.01341	0.7
199.03920	1.3
203.03415	1.2
204.04137	0.7
209.11763	9.9
214.02664	8.1
215.03284	1.1
227.03552	2.2
227.12823	1.4
229.01338	0.5
231.02827	0.6
232.03636	1.3
235.08240	0.4
236.03278	0.4
241.01448	0.5
242.02167	6.4
243.02908	4.7
244.03629	0.5
255.02902	0.5
259.02441	7.2
260.02859	0.6
261.04050	0.6
270.01651	7.8
271.02463	47.6
272.02789	3.8
287.01950	26.1
288.02469	3.5
288.05579	0.6
289.03516	0.4
299.01981	1.4
301.03522	0.6
315.01416	1.0
316.02209	100.0
317.02899	39.9
318.03439	3.0
397.13593	2.7
403.13989	0.6
415.14560	1.7
625.14056	95.8
626.14386	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	625.1206
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
59.01249	6.2
61.98687	8.3
65.00187	5.6
68.37067	1.7
70.51378	6.4
80.96376	1.8
83.01261	4.1
83.04886	3.2
85.02795	2.3
89.02348	1.8
93.03313	3.3
95.01212	2.6
101.02345	1.9
105.03353	2.2
107.01264	10.0
108.02061	2.7
109.02820	6.3
111.00776	2.5
113.02304	1.9
116.76654	1.7
119.04900	3.6
121.02837	6.6
123.00756	4.6
123.04429	4.1
124.01569	2.5
125.02331	7.5
133.02852	6.8
135.00771	3.6
137.02296	2.7
145.02829	6.5
148.01602	3.1
149.02330	5.9
151.00270	39.6
151.03856	3.1
159.04382	4.5
161.02316	5.2
163.00233	8.2
163.66243	1.8
165.12709	1.7
169.01292	4.8
169.12221	2.4
171.04474	4.3
171.10121	2.3
175.03859	3.8
177.01837	34.4
178.02251	2.2
178.99774	25.1
180.00113	2.5
187.03925	7.1
193.01337	2.4
194.99312	2.7
197.11760	34.1
198.03172	1.8
199.03946	5.5
203.03386	4.2
209.11768	41.5
211.03857	2.0
211.13141	2.6
215.03418	5.8
222.93950	1.6
227.03448	6.6
231.02959	3.4
232.34447	1.7
233.04506	3.0
235.13295	6.6
242.02156	2.6
243.02950	19.5
245.04590	3.8
253.09320	4.4
254.02077	1.9
255.02972	28.2
256.03296	2.6
259.02432	6.7
261.03949	2.7
270.01862	1.8
271.02457	75.4
272.02798	8.8
283.02399	4.0
287.01941	19.4
288.02481	4.9
289.03543	3.5
297.00351	3.2
299.01993	28.6
300.02719	100.0
301.03476	83.4
302.03763	5.7
315.01477	30.9
316.02042	9.4
317.02832	5.7
332.01669	4.8
333.02469	5.0
335.81253	1.8
341.03760	2.1
389.23074	3.1
407.24197	2.8
429.08051	3.0
447.09274	68.2
448.09583	10.0
463.08768	4.1
517.09375	3.0
577.75385	2.1
586.18884	1.9
607.10834	7.3
607.30725	3.6
625.11914	40.4
625.32666	3.5
626.12091	6.9
644.68549	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	625.1197
Annotation	Myricetin 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
53.26350	0.4
55.01748	0.5
57.03302	1.1
58.00444	0.9
59.01248	18.8
60.25754	0.4
61.98666	0.4
63.02233	1.3
65.00174	1.7
69.03303	1.3
69.25480	0.9
69.25876	3.9
71.01254	17.4
72.99166	1.5
73.02820	2.3
81.03338	1.0
82.46801	0.4
83.01247	3.2
85.02831	3.7
87.00754	3.5
88.98694	0.4
89.01760	0.7
89.02315	12.8
95.01234	1.3
97.02836	2.1
97.06448	0.6
99.00732	1.2
101.02321	11.3
107.01270	5.9
109.02839	2.7
111.00763	0.7
111.08028	1.1
113.02328	6.2
116.92641	0.5
117.03284	0.4
119.03386	2.9
119.04896	1.9
121.02851	1.1
123.00793	0.4
124.01534	1.4
125.02346	4.1
137.02350	6.7
139.03871	0.4
141.33836	0.4
143.03384	1.6
145.02847	0.9
151.00279	16.9
152.00769	1.0
161.02345	0.9
161.04459	1.7
163.00258	1.4
163.03935	2.9
164.01041	1.3
165.01820	0.8
165.12747	8.4
169.01334	2.2
171.42296	0.4
177.01891	0.6
178.99770	10.5
179.05521	1.2
180.00104	0.8
183.13824	73.8
184.14191	3.5
187.03859	0.6
192.00574	0.5
193.01419	0.6
201.01991	0.4
203.03429	1.4
209.11848	1.1
213.01878	1.0
214.02640	4.1
215.03511	1.1
221.06636	1.3
227.03506	1.1
227.10808	0.3
227.12833	9.1
231.02849	0.6
235.08241	1.9
242.02176	2.9
243.02948	2.3
244.03401	0.5
259.02521	3.8
270.01688	3.5
271.02457	23.5
272.02789	2.0
287.01974	15.9
288.02396	2.5
299.02219	0.5
301.03494	10.0
302.03973	1.1
315.01428	6.2
316.02213	54.6
317.02939	42.1
318.03458	3.6
333.68570	0.4
397.13443	6.2
398.13522	0.4
403.14108	1.1
415.14627	4.9
435.24832	0.5
461.07349	1.6
463.09344	0.4
479.08340	7.2
480.08923	1.1
607.25903	0.6
625.12170	18.9
625.27094	100.0
626.12183	3.5
626.27380	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	625.1196
Annotation	Myricetin 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
61.20256	1.3
61.98686	6.0
63.02257	1.4
65.00185	3.5
66.12418	1.3
70.26086	4.6
71.01243	1.4
82.59283	1.3
95.01279	2.1
96.74083	1.5
96.99191	1.7
107.01284	7.5
109.02843	3.0
109.99986	7.4
111.00772	4.9
117.03323	2.3
119.04891	3.8
123.00782	6.3
124.01543	3.8
125.02323	6.1
133.02858	2.4
135.04425	2.2
136.98660	2.0
137.02339	4.8
137.99535	3.2
139.00278	13.7
143.04921	1.6
145.02844	4.1
147.13417	1.1
149.02400	1.2
149.45332	1.2
151.00278	24.5
152.01089	7.7
153.01820	2.7
159.04411	3.1
161.02330	4.8
163.00243	4.1
163.03973	2.9
164.01031	3.1
165.01721	2.1
165.98978	11.7
166.99733	5.6
169.01375	5.2
171.04388	2.4
173.02393	1.9
175.03912	3.1
177.01892	2.9
178.99786	23.8
179.03348	1.5
180.00441	2.9
187.03923	5.4
189.01778	2.6
190.02586	1.7
190.99780	1.8
191.03413	1.7
192.00571	2.8
193.01273	2.4
194.99275	3.4
197.11752	1.5
199.04028	2.2
201.01793	2.7
202.02676	1.3
203.03369	7.7
204.03870	1.5
204.38258	1.4
205.01389	2.1
206.99240	1.4
209.11719	2.8
213.01768	1.9
214.02599	6.2
215.03429	7.1
217.01334	2.7
219.02936	2.1
227.03310	2.6
229.01311	2.3
230.02135	1.6
231.02965	8.0
241.01385	3.0
242.02118	4.7
243.03012	15.7
245.00867	1.9
245.04433	3.4
246.01784	1.8
247.02361	2.8
252.28180	1.2
255.02965	6.4
257.01062	1.5
258.01648	3.7
259.02460	14.9
260.02917	1.4
269.16269	1.3
270.01617	5.4
271.02469	47.8
272.02832	3.6
275.01804	1.3
286.01248	3.6
287.01978	56.7
288.02438	6.1
289.03445	1.8
299.01968	11.4
300.02744	17.7
301.03534	9.3
303.01425	3.9
304.01971	2.5
315.01474	80.0
316.02203	76.5
317.02838	23.3
330.03723	1.5
331.00983	2.0
331.04587	1.9
332.01721	69.7
333.02371	21.4
445.07864	9.5
446.08047	2.1
447.09265	5.9
463.08838	31.7
464.09222	3.9
479.08420	15.3
593.13092	11.7
594.13092	1.9
607.10913	1.5
625.11951	100.0
626.12061	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1199
Annotation	Myricetin 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
56.24861	0.9
59.01228	2.3
61.98708	4.4
63.02263	2.7
65.00188	4.2
71.01244	1.3
71.49495	1.9
80.96383	1.2
83.01257	4.0
88.98675	2.0
89.02298	1.1
95.01273	1.0
101.02296	1.1
107.01267	9.1
109.02842	8.2
121.02843	0.9
121.85401	1.1
124.01505	2.0
125.02349	9.0
134.03667	1.5
135.04407	7.0
137.02345	21.4
151.00269	33.4
152.00656	1.2
159.04448	1.3
161.02324	2.2
162.60754	0.9
163.00278	5.8
164.01009	1.2
165.01807	2.1
169.01344	6.9
178.99785	28.8
179.03392	3.7
180.00072	1.5
187.03973	1.4
190.99763	1.4
191.05444	1.8
192.00548	2.8
193.01385	1.7
198.56102	0.9
199.03944	2.2
203.03384	1.3
209.11752	1.6
213.01817	1.3
214.02672	4.0
215.03337	2.5
227.03479	3.9
242.02162	2.4
243.02979	4.3
255.02902	1.7
259.02460	4.0
261.03876	1.3
270.01688	2.2
271.02441	24.1
272.02921	2.1
287.01953	13.6
288.02490	2.7
299.02145	4.3
300.02762	5.2
301.03543	3.0
315.01468	7.2
316.02194	38.1
317.02975	100.0
318.03366	8.5
368.09222	1.1
443.42047	1.1
463.08887	13.3
464.09161	2.4
625.11957	50.4
626.12396	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	625.1192
Annotation	Nympholide B
Peak:m/z	Relative Intensity
51.89437	1.3
51.91452	1.3
59.34056	1.3
61.98683	2.9
65.00197	3.4
95.01225	2.2
107.01264	5.6
107.96057	1.5
109.02776	2.5
109.99965	7.4
111.00741	4.0
112.71715	1.5
119.04916	2.4
123.00742	7.4
124.01540	4.7
125.02302	6.2
133.02803	1.9
135.00822	2.2
135.04411	5.7
137.02287	5.7
139.00298	8.0
139.01941	1.8
143.04977	3.0
145.02823	4.3
151.00267	19.7
152.00996	3.8
156.74635	1.7
159.04407	3.1
161.02304	6.2
162.36940	1.5
163.00252	4.4
164.00998	4.4
165.98988	6.7
166.99738	2.4
169.01297	3.5
171.04399	2.5
175.03928	3.1
178.99809	26.5
179.03503	2.1
180.00282	1.7
185.02370	1.8
185.05861	1.6
187.03958	6.3
189.01857	3.3
192.00552	2.7
192.99794	2.2
193.01398	2.5
194.99306	2.9
199.03958	3.6
203.03491	10.1
206.02158	2.1
206.99339	2.2
214.02606	6.3
215.03435	7.5
217.01389	2.0
219.02910	3.6
227.03291	2.3
229.01358	1.9
230.01988	2.1
231.02888	8.2
232.03650	2.2
241.01390	2.0
242.02213	6.7
243.02972	10.6
255.02872	1.7
258.01605	4.9
259.02487	18.3
260.02890	3.2
269.00912	2.1
270.01700	8.1
271.02454	50.0
272.02795	3.5
286.01233	4.4
287.01947	57.0
288.02472	14.5
289.02902	4.7
299.02036	2.8
300.02942	2.6
303.01385	4.4
304.02448	3.5
315.01474	63.8
315.05240	3.1
316.02161	96.2
317.02817	24.5
318.03262	2.3
331.00806	2.2
332.01672	56.9
333.02289	18.0
445.07642	2.6
463.08777	41.4
464.08969	4.7
479.08356	13.6
607.11078	8.5
625.11957	100.0
626.12195	21.4
652.17725	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	625.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96172	0.8
53.34179	0.8
59.01249	2.8
61.98707	7.9
65.00179	1.2
71.01253	1.7
75.62427	1.0
80.96375	1.1
83.66025	0.9
88.98679	2.7
89.02301	1.0
98.56324	0.9
99.04436	1.1
107.01278	1.4
109.02825	1.4
119.04871	0.9
120.72318	0.9
124.01553	2.2
125.02331	3.4
133.02795	1.9
135.04425	2.8
137.02322	3.8
151.00273	9.7
152.00996	1.9
161.02330	2.3
163.00337	1.7
164.01050	1.5
169.01328	3.1
178.99799	10.4
179.03453	1.3
191.03261	0.9
203.03430	1.2
204.04225	0.9
209.11758	2.4
214.02727	5.1
215.03482	1.3
233.83730	1.0
242.02251	5.6
243.02960	3.5
245.57169	0.8
246.41377	0.9
259.02484	6.9
265.14334	1.6
270.01700	6.5
271.02463	37.8
272.02856	3.5
284.34885	0.9
287.01993	23.7
288.02512	3.2
299.01877	2.2
300.02731	3.6
301.03448	2.4
315.01437	4.2
316.02216	100.0
317.02887	31.1
318.03528	2.5
326.29221	0.9
332.01547	2.4
383.52298	0.9
416.59384	1.0
463.08817	81.1
464.09155	11.6
479.08472	2.1
625.11963	55.3
625.24078	1.9
626.12292	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	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.5
57.03313	3.0
58.00474	1.1
59.01249	21.0
69.03310	2.2
71.01253	24.8
71.04880	0.7
71.48950	1.0
71.49300	1.4
71.68720	0.8
72.99168	2.8
73.02818	6.9
81.03326	2.4
83.01250	3.9
83.04875	3.8
85.02812	7.8
85.99961	1.4
87.00749	12.2
89.02310	10.1
91.03870	0.9
94.88819	0.9
95.01272	2.3
95.04919	1.9
97.02827	2.2
97.06454	1.7
98.48442	0.8
99.00747	1.3
101.02325	15.4
103.03918	0.9
107.04870	1.0
109.06466	3.8
111.04417	0.9
111.08031	3.4
113.02328	10.7
119.03393	2.9
123.08028	0.9
125.02318	2.1
133.04974	1.8
135.08041	2.5
137.09593	2.0
143.03391	1.4
145.04939	4.6
161.04483	6.6
161.09645	1.2
179.05502	1.7
179.14323	0.7
199.55502	0.7
203.14375	2.5
211.13344	2.9
213.14886	2.9
225.14873	0.9
231.17479	3.1
235.08200	17.1
237.14871	1.3
239.16446	3.6
241.18176	0.9
244.05635	0.8
247.13408	0.8
247.16762	0.9
253.09224	1.1
261.18765	0.9
263.16476	1.1
265.18021	2.7
267.19708	1.0
275.16583	4.6
277.18088	1.0
282.82306	0.8
293.21158	0.9
313.25491	0.9
315.26874	5.1
325.25339	8.4
326.25739	0.9
341.24771	6.1
342.25134	0.9
343.26364	11.0
344.26569	1.4
351.23209	3.9
359.25980	13.7
360.25940	2.1
361.27359	3.2
369.24319	18.4
370.24582	3.2
377.26968	2.0
387.25403	71.6
388.25684	11.2
405.26434	54.8
406.26749	8.9
429.26605	0.9
436.81329	0.9
479.30368	3.9
540.01099	0.9
595.35071	1.7
605.33344	1.3
623.34326	100.0
624.34705	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3432
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01748	1.5
57.03313	2.3
58.00455	1.2
59.01248	19.9
61.98662	0.6
69.03315	1.5
71.01250	25.3
71.49612	1.1
72.03172	0.5
72.99175	2.4
73.02820	5.5
81.03330	1.0
83.01259	3.2
83.04900	2.7
85.02824	7.0
85.99970	1.1
87.00740	7.4
87.04382	0.5
89.02317	11.0
91.03880	0.6
93.03333	0.5
95.01252	2.3
95.04910	1.1
97.02808	2.3
97.06458	1.8
99.00758	1.4
99.04387	0.8
101.02319	16.0
103.03992	0.5
106.04200	0.6
107.04927	0.9
109.06477	3.0
111.00774	0.9
111.04403	0.6
111.08058	2.4
113.02322	9.8
115.03918	0.5
119.03364	2.1
120.08430	0.5
125.02318	2.2
127.07410	0.6
130.09059	0.6
131.03389	0.7
133.04941	0.9
133.06537	0.9
135.08037	2.0
137.09583	3.2
139.11183	0.6
143.03372	1.4
145.04932	5.4
145.06511	0.6
161.04492	5.4
162.04849	0.5
163.11157	0.9
167.06993	1.6
175.11140	0.7
177.12698	1.0
179.05516	2.2
179.14340	0.8
179.53665	0.5
193.15887	0.6
199.28242	0.5
203.14328	2.0
205.15918	0.9
209.15469	0.6
211.13304	1.6
213.14879	1.9
221.15474	0.8
223.13527	0.6
225.14969	0.6
231.17433	2.2
233.19104	0.6
235.08185	14.5
237.14960	2.0
239.16502	2.1
241.18076	1.3
247.13345	1.1
247.16969	1.6
249.18489	0.7
251.16359	0.9
259.20740	0.6
261.18384	0.6
263.16260	0.6
265.18073	1.5
267.19669	0.8
273.18478	0.5
275.16537	3.0
275.19824	0.5
277.18045	1.3
293.21112	0.8
313.25452	1.0
315.23416	1.0
315.26889	3.3
317.28452	0.7
325.25302	7.6
326.25647	1.0
333.28082	1.2
341.24759	6.1
343.26337	7.6
351.23282	3.3
359.25885	11.5
360.26205	1.1
361.27411	2.1
369.24295	16.8
370.24619	2.5
377.26810	1.6
387.25397	64.5
388.25735	9.8
404.14655	0.5
405.26422	53.2
406.26871	6.8
429.26645	0.8
447.27359	0.6
461.29010	0.9
479.30139	3.0
595.34473	2.4
605.33392	1.5
623.34320	100.0
624.34680	20.2
624.45087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07757	0.7
55.01754	1.5
55.80171	0.6
57.03310	1.4
58.00457	1.5
59.00961	1.5
59.01246	20.4
59.80723	0.6
61.66699	0.6
61.98713	1.7
69.03321	2.2
69.56567	1.1
69.56969	3.9
71.01250	24.0
72.99167	1.8
73.02816	7.7
75.00739	1.0
81.03300	0.9
83.01249	2.6
85.02828	6.3
85.78027	0.6
85.99952	0.7
87.00763	1.6
88.98669	1.3
89.02316	17.9
95.01270	1.6
96.95859	1.1
97.02823	2.6
99.00740	5.6
101.02328	10.6
108.02011	1.6
111.00742	1.4
113.02323	4.7
115.03893	2.5
119.03400	1.0
119.04914	1.7
121.02827	0.7
122.03624	3.0
124.80544	0.7
125.02343	11.7
127.03874	0.6
131.03386	2.3
135.04424	13.1
137.02327	0.8
149.04436	2.6
162.83780	0.7
169.01291	1.2
191.05545	1.9
191.10751	1.1
193.08592	2.3
233.06596	6.1
288.74841	0.7
293.08780	9.5
311.16483	1.1
314.15161	2.0
315.15955	7.5
316.16275	1.5
329.17551	52.9
330.17838	6.9
342.27802	0.8
462.10986	0.8
477.10657	0.7
491.22867	23.7
492.23087	2.9
623.27014	100.0
624.27411	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	623.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64407	0.4
55.01756	1.5
55.08909	0.5
55.72121	0.4
57.03323	1.9
58.00464	1.9
59.01246	30.4
61.98711	2.8
67.71980	0.4
69.03324	4.0
71.01251	39.2
71.49785	0.5
72.01569	0.6
72.99187	3.2
73.02818	9.7
75.00755	2.0
81.03321	2.1
83.01245	4.6
85.02821	8.7
85.99954	0.9
87.00750	2.1
88.47277	0.4
88.98704	1.0
89.02316	33.7
90.02676	0.7
93.03352	0.4
95.01279	1.8
96.95860	0.5
97.02827	7.0
99.00751	9.8
99.04383	0.8
101.02318	14.1
108.02075	1.6
111.00772	1.9
113.02335	5.3
115.03876	3.4
119.03400	1.0
119.04906	3.3
120.14017	0.5
121.02853	1.1
121.98068	0.4
122.03643	3.9
123.68896	0.4
124.01584	1.0
125.02338	19.5
126.02567	0.9
127.03902	0.7
131.03400	5.8
135.04413	16.9
135.05447	0.9
136.04800	0.8
137.02344	1.4
143.03412	2.3
149.04478	5.6
149.05760	0.7
150.03140	0.7
154.02654	1.0
161.04446	0.7
161.05956	0.7
169.01323	1.6
191.05540	3.5
191.10672	1.1
193.08644	3.2
207.10204	1.2
209.52576	0.5
223.13498	0.6
224.13683	0.6
225.46767	0.4
233.06619	13.7
234.07195	0.6
284.01199	0.5
293.08777	19.2
294.09125	1.2
297.15088	1.1
311.16431	1.1
314.15198	2.5
315.01355	0.6
315.15927	8.8
329.17560	61.5
330.17886	7.4
348.01135	0.5
371.18527	0.6
473.21790	0.6
491.22836	26.0
492.23154	4.0
623.27032	100.0
624.27435	21.2
624.37720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03975	2.0
85.87994	2.2
86.33574	1.8
98.20609	4.5
167.46370	2.3
208.64655	2.2
210.02522	2.0
229.81430	2.6
415.15607	4.1
416.16077	12.6
430.17886	2.6
457.37054	2.7
459.18256	100.0
460.18488	15.6
473.19888	13.5
474.20438	7.6
497.38425	2.5
503.17282	2.6
518.19623	37.6
519.19800	8.5
532.20947	4.8
533.21912	69.8
534.22137	15.8
587.22931	4.3
588.23126	2.2
619.25519	58.5
620.25934	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	621.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72006	0.7
53.21660	0.7
71.49017	1.1
91.57184	0.9
101.61773	0.8
103.78066	0.8
119.90996	0.9
149.87662	0.9
167.07057	1.0
193.94124	0.8
248.42430	0.8
445.16650	2.6
446.17398	3.4
459.21948	3.5
460.18781	10.2
461.19778	28.1
462.20203	4.2
474.20560	1.4
475.21393	3.5
476.22397	1.0
519.20331	13.8
520.20923	2.9
533.22278	1.5
621.27148	100.0
622.27393	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	619.2561
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.83639	0.5
61.48119	0.6
68.99693	0.8
69.97170	2.0
73.64568	0.6
130.62177	0.6
138.34326	0.6
255.73334	0.6
359.46613	0.6
389.15515	1.1
401.14078	2.2
415.15628	2.4
416.16467	15.3
417.16901	3.1
430.18246	3.0
431.18771	1.6
434.17807	0.9
440.15759	0.7
444.15640	1.4
445.16342	0.7
458.17484	1.8
459.18250	100.0
460.18591	15.9
473.19833	16.5
474.20413	6.6
475.21057	1.3
501.19040	1.3
503.17395	3.4
511.18298	0.7
517.18427	1.2
518.19592	39.8
519.19885	7.9
532.21185	7.9
533.21918	83.4
534.22241	13.0
587.23163	5.3
588.23407	1.5
619.25574	70.5
620.25903	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	619.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14161	0.8
55.01746	1.3
57.03328	3.8
77.02472	0.7
78.95756	0.9
79.01751	2.5
97.02816	1.5
98.07145	0.7
98.20696	1.7
99.08035	32.8
135.32353	0.7
149.05986	2.0
152.04637	2.7
152.43503	0.8
167.07054	100.0
168.07428	5.9
193.05080	1.9
255.23207	1.2
297.11359	2.1
318.08908	1.8
333.11182	1.0
432.76404	0.8
451.15494	11.7
452.16003	1.9
619.23303	46.7
620.23828	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	619.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.7
55.94783	0.3
57.03326	2.6
59.68054	0.3
70.93071	0.3
79.01758	3.4
81.80652	0.3
83.01264	0.4
97.02853	1.5
99.08031	25.9
100.08368	0.7
111.04464	0.3
123.04442	0.3
123.08054	1.5
125.05978	0.7
149.05972	3.8
151.03932	0.7
152.04704	2.6
165.05472	0.3
165.09137	0.4
166.06247	0.4
167.07040	100.0
168.07370	4.6
179.03363	0.8
193.04980	6.5
209.08101	0.4
274.00952	0.3
297.11252	1.2
318.08765	0.4
319.09824	0.4
330.98694	0.3
331.09802	0.5
396.05545	0.4
407.16373	0.9
423.15747	0.5
425.17444	1.8
451.15494	0.6
619.23297	51.4
620.23608	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	619.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.8
57.03326	5.0
73.23667	0.3
73.74386	0.3
78.95786	0.3
79.01761	9.7
79.05396	0.6
80.96378	0.3
87.04353	0.4
99.08031	1.2
104.89578	0.3
109.02827	0.8
109.83214	0.3
117.03326	1.0
121.06478	1.4
123.08003	0.5
125.02312	0.5
125.05954	0.7
145.02853	1.6
146.03174	1.1
147.04382	0.4
149.02464	0.3
149.05983	11.2
150.03122	1.5
150.06355	0.6
159.08041	1.6
161.05943	0.5
166.06253	1.0
166.34731	0.3
167.07057	6.7
169.01251	0.9
171.04417	3.5
173.09631	1.4
178.02597	0.7
179.03456	0.4
183.08083	2.0
191.03362	0.5
191.07074	0.4
193.04996	16.3
194.05347	0.8
195.08052	0.3
196.08813	0.4
197.09740	0.6
200.08315	0.7
211.11325	1.7
214.06273	0.3
218.05818	0.4
229.12280	0.6
233.08107	1.3
238.09996	0.6
249.79337	0.3
253.12311	11.8
254.12653	1.2
255.10286	1.1
277.12045	0.4
297.11307	100.0
298.11642	9.4
321.11316	0.4
425.17563	0.6
513.19067	1.2
618.38940	2.2
619.23370	40.4
619.39581	2.3
620.23639	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	619.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
61.98697	2.2
67.01748	0.5
69.03328	1.4
71.01263	0.4
71.05888	0.6
81.03335	1.1
83.01265	1.3
83.04903	0.2
93.03367	0.3
95.01257	0.9
95.04898	0.3
96.95882	0.4
97.02843	2.1
105.03334	0.8
107.01228	0.4
107.04916	0.5
108.02055	1.0
109.02820	2.0
121.02870	0.4
123.00797	1.5
123.04405	1.0
124.01550	1.7
125.02332	63.6
126.02670	2.6
133.02786	0.3
134.03616	1.6
135.04428	0.4
137.02345	4.9
138.02963	0.2
139.03918	1.3
149.02361	0.9
149.05994	0.9
151.03897	4.4
161.02345	6.0
163.03922	0.7
165.01842	0.9
166.02623	0.3
166.99770	0.8
167.03484	1.6
168.00536	0.7
169.01332	100.0
170.01680	4.8
175.03917	0.3
177.01851	1.0
177.05473	0.6
179.03455	0.9
191.03433	0.7
193.01324	3.4
203.03535	0.4
204.07768	0.4
205.01414	0.3
219.06593	0.8
221.04466	0.6
227.03322	0.3
229.01369	0.3
231.06615	1.3
264.41837	0.2
269.04565	0.8
273.07626	0.6
281.04379	0.4
287.05869	0.3
287.09195	4.7
299.05737	0.3
299.09229	0.7
305.06592	2.0
306.07343	0.3
317.06616	1.8
319.04654	0.5
331.21530	0.4
431.11365	0.7
449.12399	1.3
467.13477	4.7
468.13794	0.7
493.11151	1.3
556.15466	0.4
586.80438	0.3
619.15265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.1
63.02291	0.6
65.00193	0.9
66.58583	0.4
70.82076	1.1
84.37728	0.4
84.40379	0.5
86.36510	0.5
91.68652	0.5
93.03371	0.5
107.01276	2.3
112.46799	0.4
117.03361	3.2
117.85930	0.6
118.03683	0.5
119.04921	6.0
130.22609	0.5
132.02087	1.4
135.00778	1.4
145.02856	11.6
146.03223	0.8
151.00273	3.6
163.00282	1.1
163.03941	2.8
167.04811	0.5
171.04352	0.6
171.10219	0.7
175.44084	0.5
178.99709	0.8
183.04424	1.6
185.06067	0.8
187.03931	1.0
190.99811	0.6
211.03978	2.2
227.03436	32.1
228.03857	2.8
229.04988	2.4
239.03558	0.7
255.02972	66.3
256.03448	8.4
257.04453	1.8
275.09192	1.1
283.02448	12.1
284.03244	100.0
285.03937	28.6
286.04349	1.3
333.09839	1.3
383.22308	0.7
395.07492	0.7
413.08829	1.7
473.10785	2.0
559.12427	5.7
560.12836	0.8
577.14142	0.8
619.14520	52.5
620.14813	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	619.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
58.13342	0.7
63.25945	0.7
63.89746	0.7
71.48898	1.0
95.01202	0.9
105.03330	0.9
109.02813	1.0
123.00775	2.9
125.02334	59.9
126.02660	2.1
137.02348	3.2
139.03891	2.3
161.02357	5.5
165.01822	2.3
167.03418	5.0
168.00560	1.9
169.01332	100.0
170.01646	2.7
179.03430	1.8
189.54147	0.9
193.01352	2.5
219.06586	1.4
261.07794	0.7
262.15802	0.7
269.04642	2.1
287.05850	2.2
305.06635	9.4
331.06992	4.1
331.48419	0.9
457.07779	12.2
458.07819	0.9
468.26697	0.8
598.11841	0.8
619.12939	13.2
620.13470	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65580	0.5
59.01239	1.9
63.02260	1.4
63.41260	0.4
65.00188	1.2
69.45269	3.2
83.01255	1.1
93.03316	1.0
95.01291	0.5
107.01262	3.3
117.03336	8.4
119.04908	11.6
119.05751	0.8
120.05246	0.5
121.02836	0.8
125.02325	0.9
129.26097	0.4
132.02068	1.4
135.00743	1.1
145.02847	20.2
146.03157	0.6
151.00258	4.8
157.06427	0.4
158.03719	0.5
159.04434	0.6
163.00253	1.8
163.03920	5.5
164.01045	0.8
169.01317	0.9
171.04343	0.8
171.10049	0.4
178.99725	0.8
183.04420	1.5
185.02312	0.9
185.06010	1.2
187.03862	1.5
189.05475	0.5
196.05087	0.6
199.03868	0.8
200.04633	0.6
211.03905	3.4
212.04559	0.4
213.05515	1.1
227.03435	45.3
228.03780	3.6
229.04979	4.5
230.05376	0.6
239.03401	1.3
240.04134	0.6
241.05000	0.7
255.02943	80.8
256.03488	10.0
257.04520	3.9
263.78336	0.4
267.02942	0.7
283.02441	3.7
284.03235	100.0
285.03952	47.8
286.04324	3.7
333.09897	2.0
383.22061	0.7
395.07736	1.0
399.11807	0.5
413.08658	1.1
473.10764	4.1
474.11014	0.7
559.12408	9.0
560.13141	2.0
577.13684	0.7
619.14496	65.2
620.14838	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	618.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51596	0.3
57.03318	1.3
59.01257	0.8
61.98707	2.9
67.01756	0.3
69.03330	0.9
71.01260	0.8
71.49316	0.6
80.77773	0.3
81.03326	0.6
83.01234	0.4
88.09072	0.4
89.02322	1.1
95.01278	0.6
95.04899	0.4
96.95885	0.4
97.02825	1.3
99.00765	0.7
101.02347	0.6
105.03352	0.5
107.01266	0.4
109.02821	0.9
123.00770	1.0
124.01522	0.5
125.02334	60.7
126.02675	2.2
132.65184	0.4
135.08069	0.7
137.02351	2.8
139.03908	1.7
149.74750	0.4
161.02357	4.1
164.01086	0.5
165.01863	2.1
166.99738	0.5
167.03436	1.7
169.01334	100.0
170.01668	3.7
171.10109	0.6
177.01845	0.4
177.05481	0.8
179.03427	1.5
179.07027	2.8
191.07050	0.8
193.01318	2.2
201.05486	0.4
203.03442	0.4
212.98262	0.3
219.02965	0.3
219.06543	2.0
221.04475	1.3
223.09694	1.5
235.09750	0.8
244.04532	0.3
256.46411	0.3
261.07635	0.5
264.09653	0.3
269.04459	0.6
269.74203	0.3
287.05679	0.8
305.06656	4.8
306.07043	0.6
318.03403	0.4
319.04520	0.5
320.03836	0.4
331.04587	0.4
359.11328	0.9
367.11774	0.5
385.13025	3.7
386.12988	0.4
389.58786	0.4
403.13974	8.9
404.14270	0.9
429.11865	1.4
457.07715	1.1
555.14911	5.9
556.15491	1.0
610.04230	0.4
619.24152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21582	0.3
65.79587	0.3
71.04855	0.9
76.00721	0.4
93.91988	0.3
100.23579	0.3
117.03351	28.0
118.03677	1.3
119.04913	7.1
121.02876	1.9
123.04442	0.4
133.02888	0.3
145.02855	100.0
146.03203	4.4
162.03149	0.7
163.03894	1.9
167.07095	0.4
276.63278	0.3
453.33578	1.0
497.32605	1.1
617.38458	98.5
618.38763	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
93.96295	0.4
99.08040	1.8
117.03349	30.5
118.03662	0.8
119.04915	7.9
121.02854	1.8
145.02853	100.0
146.03197	4.1
162.03217	0.6
163.03957	2.7
167.07033	5.4
168.07414	4.0
169.07602	1.2
266.77063	0.4
269.89276	0.5
297.11453	0.5
299.09109	0.7
453.33682	1.4
497.32687	1.9
573.38977	0.8
617.38446	94.0
618.38788	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	617.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07730	0.2
54.27443	0.2
55.01761	0.4
57.03316	0.4
58.44867	0.2
69.62504	0.9
69.62907	0.4
72.60899	0.2
79.01761	20.5
80.02132	0.4
109.02808	1.7
121.06483	0.2
123.08047	0.3
124.27777	0.2
125.05962	0.9
141.07019	0.3
148.51855	0.2
149.05984	23.2
150.06291	1.1
167.07050	1.3
171.04507	0.3
181.13020	0.2
193.04990	36.4
194.05371	1.7
196.08846	0.4
211.09200	0.3
211.11218	5.9
212.08444	0.3
212.11528	0.6
213.09142	0.4
235.11243	0.2
253.12326	0.9
255.10240	20.9
256.10568	1.4
297.11301	100.0
298.11652	8.6
617.21533	10.2
618.21918	2.3
641.61163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01244	3.0
61.98696	1.7
66.62148	0.4
71.01237	2.2
71.29619	0.5
73.02808	0.8
76.11526	0.3
78.95691	0.4
80.02545	1.0
81.03318	1.1
83.01255	0.6
83.04885	5.0
84.02035	0.9
85.02811	1.0
87.00745	0.5
89.02312	1.6
95.04906	0.4
96.56541	0.3
96.95900	0.9
99.00726	0.5
101.02333	2.2
113.02301	1.5
116.14120	0.3
119.03359	0.4
125.02300	1.3
125.09574	1.3
127.11179	2.1
135.08073	0.6
137.02351	0.5
146.63263	0.4
151.00224	0.6
153.09167	0.5
161.02403	0.4
161.04424	1.0
163.11165	2.6
165.12703	2.6
171.10164	100.0
172.10513	5.8
181.12209	0.7
183.13777	1.2
191.10660	0.9
197.11714	0.5
199.13239	0.5
201.11205	0.5
209.11749	89.0
210.12131	5.3
211.13248	1.0
213.14778	0.5
217.14091	0.4
227.12816	13.8
228.13126	1.0
235.08188	2.7
253.09244	8.4
253.11853	0.4
254.09480	0.6
271.02341	0.7
300.02673	0.9
310.15457	0.4
319.03580	0.5
332.04712	0.4
363.21643	0.5
387.07401	0.4
393.95169	0.4
407.19235	1.3
445.20871	1.0
463.21774	0.6
573.12622	0.6
581.29077	0.4
617.31873	1.9
618.31866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.1
57.03319	2.4
62.04216	1.0
66.90536	0.9
68.99688	1.0
71.29314	1.9
79.01773	4.6
86.66328	0.9
86.84442	1.0
103.04691	0.9
116.56236	0.9
149.05984	7.9
152.14696	1.0
167.07013	2.8
171.04416	3.6
171.10249	2.3
173.09624	1.3
178.02759	1.0
193.04994	8.9
214.80385	1.0
238.09808	0.9
253.12259	6.5
297.11316	100.0
298.11615	8.0
511.19638	1.2
617.21790	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	617.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72118	1.0
55.01762	1.8
57.03332	5.0
68.90747	0.9
68.99666	1.7
79.01764	7.8
79.05405	1.1
81.62347	0.9
99.08053	2.7
105.97390	1.0
120.41586	0.9
121.82174	1.0
125.02311	1.8
125.03570	0.9
125.05944	1.3
126.16051	1.0
147.04439	1.2
149.05984	10.7
159.08076	2.1
166.06256	1.2
167.07051	24.2
168.07381	1.4
171.04448	9.9
173.09604	3.2
183.08032	3.7
193.05020	15.1
211.11174	2.3
229.12215	1.3
229.73489	1.1
252.68469	1.0
253.12326	14.2
255.10211	3.3
264.83444	0.9
297.11319	68.2
298.11676	7.0
319.09378	1.8
330.11349	1.0
341.40814	0.9
384.72690	1.0
427.15414	3.6
538.81421	1.1
573.22418	6.2
617.21527	100.0
618.11707	1.1
618.21881	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	617.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62292	1.4
55.01759	3.6
57.03319	3.7
61.97345	1.5
70.40740	5.5
79.01757	7.1
99.08038	5.8
106.62518	1.3
123.08031	1.6
124.19222	1.5
125.02264	1.6
147.04437	2.0
149.06017	8.6
159.08012	3.5
160.80705	1.4
167.07047	50.9
168.07355	6.1
169.01222	2.2
171.04469	11.0
173.09618	5.3
193.04996	15.1
198.00218	1.4
231.02628	1.5
253.12308	9.9
259.09341	1.6
285.15036	2.1
297.11304	61.8
298.11646	5.6
299.09216	5.1
321.24310	1.8
383.16476	2.6
409.25723	1.6
422.23947	1.5
437.12250	2.2
445.79968	1.7
481.15240	1.7
510.26083	3.0
511.25711	2.5
573.23199	1.7
616.29803	6.3
617.21533	100.0
617.30341	11.1
618.21838	18.8
618.30835	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	617.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36450	0.4
55.01755	2.1
56.21456	0.5
57.03322	7.2
58.00006	0.3
68.99669	0.8
72.92931	0.4
79.01763	10.8
79.05390	0.5
87.04392	1.1
99.08040	1.2
109.02830	1.4
119.41181	0.4
121.06477	1.5
121.27384	0.4
125.02381	0.4
125.05958	1.0
130.04135	0.6
131.04936	0.7
141.06990	0.5
147.04422	1.1
149.05983	13.8
150.03188	1.2
150.06364	0.6
155.08609	0.7
159.08061	2.0
161.06018	0.5
166.06261	0.7
167.07053	10.5
168.07492	0.6
171.04422	4.9
171.07986	0.5
173.09682	2.2
178.02640	1.3
183.08073	3.4
191.03409	1.0
193.04988	16.6
194.05399	0.9
195.08076	0.6
196.08958	0.7
197.09592	0.6
200.08371	1.0
206.05725	0.5
209.05852	0.4
211.11111	2.4
225.12894	1.1
229.12343	0.8
235.11290	1.1
253.12318	16.6
253.14975	0.8
254.12622	1.4
255.10316	2.4
279.10278	0.5
282.08899	0.5
297.11307	100.0
298.11667	9.6
427.15680	1.6
443.30197	0.4
495.06934	0.5
559.58228	0.4
573.22687	0.8
617.21515	75.1
618.21875	16.0
635.09210	0.6
641.85803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63987	0.3
55.01760	1.4
55.09346	0.3
57.03322	3.9
59.01278	0.4
59.09635	0.4
69.38298	0.4
71.29463	0.5
79.01762	4.6
81.03331	0.5
87.04408	0.7
99.08038	7.5
109.02847	0.9
111.04406	0.5
121.06454	0.6
122.03534	0.4
123.04411	0.5
123.08048	6.0
125.06001	0.7
135.04396	1.2
135.08064	0.9
137.02336	0.5
147.04422	0.5
149.05997	6.7
150.03114	0.9
151.00284	0.9
151.03886	0.5
152.04729	0.9
159.08122	0.6
161.05971	0.5
162.03114	0.6
167.07054	58.0
168.07394	2.5
171.04462	3.1
171.08084	1.6
173.09628	1.1
174.06755	0.9
178.02649	0.9
179.03424	1.2
183.08087	1.4
188.08287	0.6
193.04977	7.6
194.05753	1.3
200.08299	0.4
201.05525	0.6
205.12276	3.9
211.11253	1.1
215.07118	1.9
216.07907	1.3
231.10214	0.5
249.11325	6.9
250.11432	0.5
253.12328	4.6
254.12842	0.4
255.10098	0.6
257.15433	1.1
285.14880	2.1
297.11328	20.2
298.11639	2.5
298.86411	0.4
317.02933	1.8
333.14908	1.5
357.91348	0.4
386.74054	0.5
387.19733	0.5
415.19156	1.4
469.23810	1.5
470.24310	0.6
497.27493	0.5
539.28033	1.6
571.30920	0.5
583.27002	1.2
615.29633	100.0
616.29950	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	615.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71231	0.5
54.43680	0.6
55.01746	0.6
57.03314	4.2
68.99693	1.2
69.31983	2.0
69.32404	2.7
79.01763	4.3
87.04388	0.9
99.08029	2.7
105.52386	0.5
107.04906	1.0
109.02828	1.2
111.68257	0.5
116.22285	0.5
117.07076	0.6
121.06478	1.4
123.04430	1.4
123.08056	5.0
124.01560	1.7
125.05967	0.8
131.04883	1.4
135.04396	1.5
137.02336	2.0
137.05994	1.0
147.04416	10.4
149.06001	3.3
151.00284	1.9
151.03911	4.5
152.01077	0.9
156.05739	0.9
157.06506	0.8
161.02336	2.7
161.05879	0.8
162.03105	1.0
162.06761	0.6
163.03891	2.0
164.04694	2.5
165.05421	1.4
166.06247	3.3
167.07051	9.3
171.04483	0.5
171.08060	3.6
173.05988	13.5
174.03130	1.0
174.06520	1.5
175.03940	0.7
177.01866	3.1
178.02626	0.7
179.03419	30.5
180.03920	1.5
181.04909	0.7
182.05659	1.1
183.08035	1.0
185.06049	0.8
185.09659	3.9
191.03423	3.0
193.04982	7.4
194.05766	30.2
195.06145	1.9
196.09045	0.5
198.05223	1.8
200.08313	0.6
201.05505	1.8
202.06235	0.9
206.05676	1.4
207.06633	0.8
211.11238	1.0
213.12798	1.5
215.07056	6.7
216.07870	2.9
226.04825	8.1
238.10034	0.8
253.12320	30.2
254.12656	2.8
255.13866	17.2
256.14273	1.5
281.08191	0.9
282.08908	1.8
283.09747	1.1
285.14957	39.3
286.15268	3.2
297.11319	64.1
298.11758	7.9
299.12875	100.0
300.13245	9.8
314.08008	1.0
317.17590	5.7
318.17838	0.9
548.51801	0.6
615.29596	55.8
616.29974	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	615.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.6
57.03320	3.2
71.12834	0.8
79.01759	4.2
87.04395	0.8
97.90386	0.5
106.11539	0.5
108.35300	0.4
109.35953	0.7
121.06428	0.7
123.04445	0.5
135.04424	0.8
143.60056	0.5
147.04378	0.6
149.05986	5.6
150.03212	1.0
161.02356	2.5
162.03094	0.5
166.54959	0.5
167.07045	1.9
171.04440	2.1
173.09756	0.6
174.03151	0.8
179.03427	0.5
183.08122	1.1
193.05008	11.8
194.05608	1.0
200.08406	1.0
201.05510	0.8
202.06311	0.8
211.11246	1.5
216.07820	1.2
225.12762	0.6
253.12317	11.4
254.12700	0.7
255.10252	2.1
255.14055	0.6
285.14935	2.9
297.11322	100.0
298.11673	8.1
299.12811	0.7
302.25961	0.6
317.17642	3.7
615.29504	3.5
616.30182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52523	0.1
55.01751	0.6
57.03322	3.0
58.18183	0.1
59.01193	0.1
68.99654	0.3
79.01759	5.4
79.05379	0.4
80.02058	0.2
87.04356	0.5
89.34406	0.1
96.55207	0.1
99.07992	0.3
109.02821	0.7
117.06927	0.1
121.06442	0.7
121.88170	0.1
123.00807	0.1
123.08017	0.2
125.05959	0.2
130.04170	0.1
133.06462	0.2
137.02347	0.1
137.05855	0.1
141.07021	0.2
147.04364	0.5
147.07993	0.5
149.05977	6.6
150.03151	0.7
150.06273	0.4
151.00232	0.2
151.03859	0.5
155.08464	0.2
157.06467	0.4
159.08047	0.5
161.05913	0.3
162.03075	0.3
162.06738	0.2
165.05437	0.1
166.06319	0.6
167.07059	2.1
171.03090	0.2
171.04443	2.4
171.06686	0.1
171.08034	2.0
172.08400	0.1
172.20938	0.1
173.06001	0.2
173.09633	0.8
175.03908	0.3
175.07616	0.2
177.01747	0.2
178.02629	0.6
179.03412	2.1
181.06593	0.1
182.05737	0.2
183.08096	1.2
183.11650	0.2
185.05995	0.8
191.03378	0.3
193.04988	9.5
194.05733	1.9
195.06120	0.1
196.08757	0.4
197.09612	0.1
200.08401	0.5
201.03751	0.1
201.05466	0.7
202.06213	0.4
203.06876	0.1
206.05817	0.2
211.05946	0.2
211.11247	1.5
212.11455	0.1
213.05478	0.2
213.09151	0.1
215.07091	3.4
216.07848	1.1
225.12767	0.4
226.04764	0.5
229.12268	0.3
229.79402	0.2
237.09242	0.2
238.09920	0.2
250.82982	0.1
253.12305	8.9
254.10207	0.1
254.12585	0.8
255.10191	2.4
256.10547	0.3
269.12057	0.1
282.08780	0.2
285.14948	23.5
286.15295	2.1
297.11301	100.0
298.11652	9.7
301.03662	0.1
317.03058	0.2
317.17606	1.5
592.97888	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0988
Annotation	Quercetin 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
63.02269	3.7
65.00190	7.7
66.71439	0.5
71.06811	1.1
73.15620	0.5
83.01248	3.5
84.27552	0.5
90.27377	0.5
93.03327	1.7
96.73152	0.5
107.01270	12.9
109.02831	1.6
121.02835	10.7
125.02342	1.6
139.03909	0.7
149.02348	1.2
151.00267	42.9
152.00664	1.2
161.02386	0.7
163.00244	1.3
164.01060	0.7
169.01318	2.8
175.03911	0.7
178.99779	14.8
180.00092	0.8
183.04446	0.7
193.01289	0.7
193.35721	0.5
211.03796	0.7
227.03461	0.8
229.04993	1.2
245.04546	1.6
250.13631	0.6
255.02904	1.2
271.02414	0.9
273.03989	1.7
287.85373	0.5
300.02774	1.4
301.03506	100.0
302.03870	7.8
313.05615	4.8
314.06079	0.8
378.57547	0.6
615.10156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60117	0.2
52.32706	0.2
54.83305	0.2
61.83769	0.2
63.02266	0.7
65.00184	1.8
69.31515	2.0
69.31923	0.4
83.01237	1.4
88.78976	0.2
98.19805	0.3
99.12135	0.2
107.01257	4.4
109.02838	2.8
123.00791	0.6
125.02329	2.1
135.00775	0.3
137.02347	13.1
138.02652	0.6
151.00275	26.7
152.00626	1.0
163.00273	2.2
164.01035	0.6
165.01843	1.4
169.01343	2.0
175.03844	0.3
178.99782	29.1
180.00092	1.4
183.04390	0.3
190.99777	0.8
192.00575	2.1
193.01343	1.4
199.03922	0.5
203.03493	0.3
215.03520	0.5
227.03474	1.4
243.02937	1.5
245.04369	0.5
255.02975	0.7
261.04065	0.6
271.02457	3.7
281.00824	0.4
287.01987	1.0
288.02734	0.4
289.03467	0.7
297.06042	0.3
299.01978	1.7
315.01358	0.4
316.02197	4.2
317.02991	100.0
318.03357	6.7
427.38614	0.2
463.08661	2.0
497.54590	0.3
615.09863	14.1
616.09711	1.1
626.85205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.9
58.19573	0.7
59.83566	0.5
61.98694	2.4
69.97084	3.2
71.01221	0.8
74.21765	0.6
93.03325	3.3
93.78356	0.5
95.04880	0.7
96.95907	3.1
109.02818	1.1
115.27925	0.6
121.02811	4.6
122.03629	12.7
123.00790	0.8
124.01547	0.8
125.02343	3.2
133.02864	2.0
133.18602	0.6
135.04436	0.7
136.01524	1.8
137.02342	3.3
149.02338	17.6
150.03122	83.3
151.00249	4.5
151.03473	3.5
152.00934	0.8
161.02339	2.2
164.04692	3.8
165.01859	8.3
165.05475	100.0
166.02620	10.2
166.05783	4.9
167.03320	1.6
175.03831	0.7
177.01790	0.9
177.05525	1.5
179.03383	1.5
180.04205	11.2
181.04970	14.6
185.11771	2.8
187.03918	1.1
193.05164	0.9
195.06548	71.2
196.06883	3.8
205.05016	2.5
209.11696	2.0
210.05251	1.3
210.50204	0.7
220.07323	1.1
221.08319	0.8
225.07625	6.0
243.02965	0.8
263.53448	0.7
271.02499	1.3
283.09695	1.9
287.02026	0.8
315.01520	2.7
316.02335	0.7
357.13312	1.0
372.12326	1.2
387.10663	1.6
387.14731	8.7
388.15125	1.1
402.13440	1.9
403.13763	1.5
407.11642	1.5
417.15515	14.1
418.16238	1.3
565.20892	4.6
613.21576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00496	0.7
59.01252	15.4
61.98690	2.2
69.03323	0.7
71.01254	12.2
71.41199	0.7
71.41541	0.5
72.99176	2.1
73.02828	1.8
74.36008	0.6
75.00752	1.0
76.39706	0.5
83.01260	1.5
85.02831	2.3
86.93008	0.5
87.00739	3.4
88.98654	0.6
89.02314	12.1
95.01264	1.0
97.02826	2.4
99.00783	1.1
101.02320	11.2
109.02773	0.5
109.92224	0.6
113.02335	5.2
113.08336	0.5
119.03407	3.4
125.02321	5.1
126.02621	0.5
143.03384	1.7
149.04471	0.9
161.04460	2.4
169.01311	1.2
179.05533	2.4
183.13826	12.7
184.14192	1.0
195.13815	10.9
196.14140	0.9
203.05685	0.6
211.13377	1.9
212.13611	1.2
213.14900	100.0
214.15251	7.0
221.06531	1.2
235.08174	4.5
253.09314	1.5
254.55377	0.6
263.07831	0.7
287.07822	0.9
370.31665	0.6
382.45743	0.7
397.13474	29.7
398.13742	3.3
415.14523	20.7
416.14883	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	613.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25193	1.7
59.01239	2.7
61.98709	13.2
64.12137	1.8
71.01275	2.7
71.49523	3.0
73.98587	2.0
93.03357	5.4
109.02848	5.1
113.48282	1.8
121.02859	12.1
122.02950	1.6
122.03651	16.2
123.00770	2.3
124.01572	2.5
125.02316	7.0
128.03378	2.5
133.02820	1.9
135.04399	2.8
136.01537	5.9
137.02357	22.5
138.02679	2.1
149.02345	27.7
150.03134	100.0
151.00269	8.2
151.03941	13.7
152.00990	2.4
152.04498	2.2
159.04323	1.8
161.02406	3.3
162.03012	2.2
163.03922	2.0
163.53169	1.8
164.01070	2.4
164.04684	3.0
165.01857	65.2
165.05492	95.0
166.02652	23.4
166.05867	2.9
167.03374	3.5
169.01344	4.1
175.03954	5.0
177.01859	2.4
177.05463	2.3
179.03427	19.7
180.04205	40.7
181.04997	29.4
184.03716	2.3
185.11772	7.6
187.03943	6.8
190.06293	3.3
194.05815	2.3
195.06575	94.5
196.06889	5.1
203.03514	3.1
205.04924	6.2
209.11769	6.4
210.05266	6.3
220.07344	3.1
225.07626	26.9
251.89476	2.2
271.02490	3.6
272.02737	2.6
287.01920	5.1
288.02701	2.5
305.06317	1.8
306.07797	2.2
315.01541	10.4
316.02167	6.0
317.02542	4.8
318.02759	4.8
319.03177	5.2
320.03210	4.0
329.10385	3.2
357.13538	4.2
365.57217	1.8
372.12045	2.1
373.13049	4.1
386.13605	2.2
387.10577	2.2
387.14587	20.5
392.79724	2.0
403.13806	3.5
417.15567	26.2
418.15820	4.3
467.10034	2.1
535.20026	3.4
547.20111	2.1
550.19153	2.6
565.20819	61.3
566.20813	11.5
613.13513	9.0
642.98334	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
53.83496	0.5
55.01738	2.0
57.03327	4.0
58.12667	0.5
68.99673	0.7
71.72884	0.5
79.01764	20.1
80.02074	0.7
83.01224	2.0
87.04366	0.5
93.03318	1.5
95.04900	0.8
98.20567	1.4
99.08051	5.7
99.93422	0.5
101.12320	0.6
109.02811	1.9
111.04353	2.6
117.03370	0.7
119.04911	37.8
120.05222	1.4
120.22813	0.5
121.06472	0.9
123.08031	1.0
125.05958	1.1
145.02823	2.4
147.04433	0.5
149.05981	23.7
150.03053	1.5
150.06313	1.1
152.04706	0.6
159.08057	0.7
163.07445	0.6
165.09135	3.8
167.07043	21.2
168.07440	1.4
171.04425	2.7
173.09621	0.7
175.07573	0.6
178.02600	1.1
183.08032	1.3
187.03917	1.6
189.09065	0.6
191.03337	0.6
193.04990	51.8
194.05360	3.3
199.07622	0.9
200.08208	0.7
207.06548	1.0
209.08119	12.5
211.07693	0.9
211.11221	1.8
213.09085	0.8
227.10657	0.9
233.08107	0.9
253.12299	7.7
254.12628	0.9
255.10324	1.2
269.11801	4.5
297.11313	80.5
298.11664	7.3
313.10815	100.0
314.11154	9.8
339.12289	0.9
373.10779	1.2
399.16132	1.9
401.13855	0.7
406.90668	0.6
417.16919	0.9
443.14514	0.9
495.32083	0.6
611.23004	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	611.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43236	0.3
53.95697	0.3
55.01750	2.1
57.03323	4.5
59.01251	2.7
68.99693	0.7
69.39696	1.7
69.40110	0.5
76.82552	0.3
79.01755	6.2
79.05393	0.5
83.01209	0.4
85.02818	0.3
87.04420	0.9
91.28046	0.3
95.04902	0.5
97.06464	0.7
98.19830	0.4
99.00721	0.4
99.04391	0.3
99.08043	2.2
109.02832	0.8
111.00764	0.4
111.04398	0.3
113.05923	1.2
119.04872	0.3
121.06487	0.7
122.03683	0.5
123.04459	0.5
132.37697	0.3
135.08031	0.4
137.05931	0.5
139.00195	0.7
139.03929	1.0
141.05475	3.4
147.04404	0.6
147.08044	0.3
149.05986	7.7
150.03128	1.2
150.06340	0.4
155.08542	0.6
156.05685	0.3
157.06519	0.6
159.08070	0.9
161.06030	0.5
162.06790	0.3
163.07530	0.9
165.05473	0.9
166.06296	0.7
167.07051	9.3
168.07370	0.4
171.04428	3.7
173.05948	1.2
173.09641	0.6
178.02615	0.9
179.07089	1.8
181.04854	0.4
183.06543	2.2
183.08080	1.7
184.08443	0.3
191.03389	0.9
192.04224	0.5
193.04988	10.2
194.05316	0.6
195.08058	0.4
197.09518	0.3
200.08321	0.6
206.05687	0.4
207.06584	7.6
208.06989	0.5
211.11198	1.8
211.69948	0.3
225.07596	4.5
225.12799	0.6
237.09077	0.4
243.06676	0.4
251.10732	0.3
253.12317	10.7
254.12636	0.9
255.10286	2.1
265.09204	0.3
267.10278	0.4
269.11771	0.5
270.08902	0.4
271.09732	7.1
272.10168	0.8
280.07178	0.5
295.09735	3.3
297.11304	100.0
298.11636	9.4
298.14899	0.6
313.10822	14.8
314.11069	1.7
355.12061	0.5
383.16516	0.3
399.16266	0.7
401.17654	0.9
417.17191	0.8
425.13858	1.3
443.14923	0.9
593.21228	0.5
611.22852	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	611.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03324	4.7
57.18183	0.3
59.01246	2.1
63.90040	0.2
67.10209	0.2
68.99680	0.8
70.98808	0.5
79.01756	6.9
79.05380	0.4
83.01256	0.3
85.06452	0.6
86.11787	0.3
87.04385	0.7
95.04873	0.3
97.02802	0.2
97.06429	0.2
99.04385	0.6
99.08031	2.6
109.02811	0.6
111.00761	0.4
111.04390	0.3
113.05967	2.0
116.92776	0.3
119.04868	0.3
121.06472	0.8
122.03598	0.3
123.08088	0.4
125.05928	0.3
131.04883	0.2
133.06476	0.3
137.05972	0.6
139.00276	0.5
139.03874	1.1
139.07533	0.4
141.04448	0.4
141.05467	4.5
147.04434	0.6
149.05980	7.3
150.03110	1.0
150.06258	0.4
152.04646	0.4
155.08594	0.5
157.06462	0.5
159.08060	0.7
165.05457	0.8
166.06229	1.2
167.03395	0.3
167.07043	9.6
168.07428	0.5
171.04427	3.6
173.05948	1.2
173.09619	1.1
178.02599	0.5
181.04999	0.6
181.06444	0.3
183.06516	2.6
183.08098	1.3
185.05936	0.3
191.03381	0.4
193.04987	10.4
193.10066	0.3
194.05376	0.4
196.08919	0.4
197.09715	0.3
200.08321	0.4
209.08018	0.3
211.11180	1.5
211.12970	0.3
225.07581	2.8
225.12839	0.3
229.12315	0.5
233.09764	0.2
233.16187	0.3
237.08965	0.3
238.09962	0.4
243.06508	0.3
253.12297	9.6
254.09586	0.3
254.12697	1.0
255.10168	2.1
269.11877	0.4
270.08884	0.3
271.09729	5.7
272.10123	0.6
297.11295	100.0
298.11624	10.3
301.08917	0.3
313.10788	16.4
314.11136	1.9
355.12357	0.3
390.68909	0.3
399.15936	0.4
401.17520	1.1
417.16797	0.6
443.15112	0.4
445.16602	0.7
469.16443	2.9
470.16815	0.7
480.87985	0.3
611.22906	3.6
612.23126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74253	0.3
55.01762	1.2
57.03324	5.0
57.25439	0.3
59.01249	1.8
60.53401	0.3
68.99683	0.4
79.01764	7.5
81.07494	0.3
83.01266	0.6
87.04375	0.7
98.19781	0.7
99.08037	1.0
109.02853	0.8
113.05982	1.1
115.05409	0.3
121.06462	1.3
123.46232	0.3
125.05931	0.4
133.06468	0.4
139.00256	0.9
139.03905	0.5
139.26653	0.3
139.85432	0.3
141.05464	4.0
147.04401	0.8
149.05986	9.0
150.03148	1.0
152.04704	0.6
155.08537	0.4
157.06534	0.5
159.08046	0.7
161.06001	0.5
165.05484	0.8
166.06241	0.9
167.03445	0.4
167.07066	5.8
168.07338	0.5
171.04445	4.2
173.05978	0.7
173.09660	0.8
178.02682	0.8
181.05063	0.4
183.06546	2.1
183.08098	1.7
189.12918	0.3
191.03369	0.4
193.04997	11.8
194.05411	0.5
196.08850	0.4
200.08372	0.7
209.63370	0.3
211.11172	1.4
225.07640	4.4
225.12688	0.5
228.07739	0.4
229.12381	0.5
253.12329	12.1
254.12709	1.5
255.10265	1.2
269.11865	0.6
271.09732	5.0
272.10098	0.4
282.09021	0.5
297.11319	100.0
298.11664	8.8
307.45871	0.4
313.10828	11.9
314.11139	1.1
401.17560	0.4
417.16922	0.4
470.02182	0.4
611.22437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03322	4.1
59.01242	2.5
62.58426	0.3
68.99667	0.6
71.29596	0.5
78.54757	0.3
79.01757	5.8
87.04358	0.6
95.51157	0.3
99.08064	1.8
109.02831	0.5
111.00794	0.5
111.08064	0.3
113.05995	1.6
114.32748	0.3
117.03350	0.6
121.06478	1.2
125.05963	0.7
130.08554	0.3
137.06021	0.8
139.00258	1.0
139.03885	0.9
139.07581	0.4
141.05472	3.2
145.06528	0.5
147.04416	0.8
149.05983	7.3
150.03131	1.1
152.04610	0.4
155.08632	0.4
159.08086	0.8
165.05466	0.7
166.06285	0.8
167.03400	0.5
167.07051	7.9
169.10106	0.3
171.04413	4.1
173.05977	1.4
173.09624	1.0
178.02582	0.8
181.04909	0.6
183.06529	2.1
183.08083	1.4
184.08636	0.4
193.04982	9.8
194.05307	0.6
196.08896	0.5
200.08434	0.7
211.11197	2.6
225.07687	3.8
225.12706	0.5
251.10773	0.4
253.12315	9.0
254.12579	0.8
255.10248	4.6
256.10553	0.5
269.11713	0.8
270.08963	0.4
271.09735	6.3
272.10135	0.6
297.11304	100.0
298.11630	10.0
313.10806	14.8
314.11145	1.6
355.11682	0.5
401.17664	1.1
417.17206	1.1
443.15118	0.6
565.98541	0.4
611.22791	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	611.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.5
56.27983	0.8
57.03315	3.4
58.78872	0.8
59.01248	2.4
59.02614	0.7
68.99683	0.9
69.48742	4.1
69.49145	1.9
71.01234	1.0
71.04868	1.0
79.01778	2.1
80.96398	1.8
85.02818	2.2
85.06460	1.1
87.00815	1.0
95.04937	0.8
97.02832	1.7
97.06481	2.6
99.04393	17.9
99.08030	19.6
111.04391	1.8
113.02339	7.7
113.05972	10.1
113.45054	0.9
116.92746	2.6
123.04450	1.0
125.02323	5.3
137.05975	2.4
139.03899	4.3
139.07542	3.8
141.05475	57.6
142.05807	2.0
149.05984	1.7
152.04684	1.5
155.06909	1.1
165.05443	2.0
167.03355	2.4
167.07051	91.4
168.07385	3.8
169.01364	2.2
171.04456	1.5
173.05962	1.0
183.06554	100.0
184.05347	0.8
184.06863	4.5
193.01273	1.0
193.05016	2.9
203.07051	2.4
211.13365	3.8
247.06088	2.0
253.12389	2.0
255.10100	1.1
271.09714	2.2
297.07977	1.2
297.11240	19.8
298.11621	3.2
313.10785	4.2
354.75262	1.0
371.16583	0.9
383.16632	1.8
415.15439	1.3
427.15466	3.6
435.92914	1.0
443.14655	1.7
451.15875	1.3
465.93875	0.9
529.30109	1.4
585.10309	1.0
609.39935	0.9
611.22589	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	611.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
61.98693	2.9
65.00191	1.5
71.48775	0.6
71.49226	0.9
73.46541	0.6
83.01239	0.9
85.94384	0.6
100.08862	0.6
107.01261	2.6
108.02032	1.4
109.02852	1.2
121.02798	1.1
121.10114	1.4
125.02306	1.0
135.00754	0.9
148.01534	1.2
151.00282	7.4
152.14009	0.7
161.02284	0.9
163.00252	1.1
165.09088	2.3
169.01331	1.2
171.04393	0.9
178.99779	4.1
196.05420	0.6
199.03914	2.5
203.03413	0.9
209.11755	0.7
211.03964	0.7
211.45630	0.7
215.03383	1.2
220.50003	0.6
221.53508	0.6
226.02571	2.0
227.03421	3.8
243.02962	9.9
244.03267	1.0
254.02206	2.4
255.02954	21.0
256.03314	2.4
271.02469	62.0
272.02930	5.9
273.03830	0.7
283.02435	0.8
297.11166	0.7
299.01950	15.7
300.02734	100.0
301.03424	31.7
301.07019	1.3
302.03949	2.2
357.20306	1.0
375.21558	1.2
430.60446	0.6
445.07776	8.1
463.08698	3.2
611.17688	33.8
612.17859	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	611.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53735	0.4
55.77403	0.4
57.03323	1.8
57.56842	0.4
59.01242	2.4
61.82550	0.5
63.54397	0.4
65.00199	0.9
70.15107	0.5
70.96961	1.0
83.01271	1.0
83.75600	0.4
87.04406	0.6
99.08039	1.9
107.01304	1.2
109.02823	1.0
113.05936	0.9
121.10119	5.5
124.01555	2.6
125.02335	1.0
135.00827	0.6
136.01529	0.7
137.02367	0.7
137.06023	1.4
139.03897	0.9
139.07541	0.5
141.05502	1.9
149.06006	4.0
150.03113	0.6
150.41599	0.5
151.00276	4.3
152.01060	1.0
152.04686	0.6
159.04431	1.1
159.08054	0.7
163.00284	1.3
164.01077	1.7
165.05470	0.7
165.09148	3.9
167.07066	6.6
169.01395	0.8
171.04436	2.9
173.05989	1.1
173.09703	0.8
178.99776	5.3
183.06543	1.1
183.08061	0.6
187.03951	1.1
193.04982	4.5
203.03378	2.1
204.04250	1.0
211.11217	1.8
213.01886	0.5
214.02644	6.8
215.03407	1.6
225.07668	2.5
226.07796	0.5
227.03561	1.0
230.98682	0.5
231.03018	1.4
241.01448	0.6
242.02156	6.3
243.02919	3.8
253.12350	4.7
255.10277	1.8
259.02466	7.1
260.02930	0.5
267.10403	0.5
270.01669	6.3
271.02469	37.1
271.09702	3.9
272.02890	3.0
280.29965	0.6
287.01971	30.7
288.02380	3.6
297.11313	56.8
298.11691	5.3
313.07251	0.5
313.10840	9.2
314.11157	0.8
315.01462	16.0
316.02219	100.0
317.02725	12.7
318.03281	0.6
401.17926	0.8
417.17084	0.6
443.14816	0.8
445.07709	4.7
446.08231	0.7
463.08710	0.8
490.29861	0.5
611.17633	47.0
612.17865	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	611.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59075	2.9
71.49193	4.4
75.00729	3.1
79.01759	2.7
81.03345	4.7
83.01254	4.4
93.03367	6.5
95.01331	2.9
97.02834	3.8
101.96236	2.6
107.01238	6.3
109.02826	4.0
111.00732	2.9
119.04904	33.4
121.02887	4.0
123.00795	3.0
123.04374	4.0
124.01566	4.7
125.02362	14.4
135.04439	33.4
136.98672	3.3
137.02327	8.6
145.02832	5.0
147.04419	3.6
149.02299	5.7
151.00252	5.0
151.96133	3.1
153.01831	4.0
163.00307	9.1
163.03908	4.7
165.01842	6.9
167.03400	11.1
177.01849	7.6
179.03456	7.2
180.00529	4.2
181.01349	3.2
187.03944	6.4
189.02074	3.5
193.01300	8.7
203.03349	3.5
205.01357	5.9
205.04942	3.0
207.02975	5.7
207.05093	5.6
209.04488	6.7
219.02910	3.3
223.02393	3.4
235.02472	17.7
239.05591	5.3
243.06592	3.4
249.04073	5.8
261.03967	7.1
265.03564	10.2
274.30542	3.9
283.06122	8.0
291.04922	4.0
328.05865	7.2
329.06546	6.8
341.06516	4.0
371.07700	40.0
372.07977	3.6
385.09128	3.7
401.08725	31.4
402.09085	3.7
403.10190	5.2
431.09796	7.3
461.10654	3.9
468.61334	3.3
473.10645	8.6
491.11969	100.0
492.12500	16.1
501.12088	3.9
503.12137	3.9
521.13306	5.5
611.16150	69.6
612.15826	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	611.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01173	1.9
61.98635	1.8
65.00127	1.5
71.01170	1.6
73.02745	0.5
75.72740	0.5
83.01193	1.1
87.00717	0.7
89.02245	1.5
101.02234	1.8
103.49982	0.5
107.01273	2.8
108.01989	0.8
109.02755	1.3
113.02254	0.7
119.04811	1.1
121.02842	3.3
125.02245	1.9
135.00655	0.5
137.02235	0.5
149.02216	0.6
151.00273	17.0
152.00523	0.6
163.00298	2.3
163.03885	0.5
164.00891	0.5
169.01256	1.6
177.05139	0.5
178.99779	7.8
183.04364	0.9
183.13908	0.7
187.03925	0.5
199.03831	1.0
203.03355	0.6
211.03877	1.6
211.13324	4.1
212.13675	3.5
213.13878	0.5
215.03426	0.6
216.04210	0.7
227.03401	2.2
229.04985	1.1
235.08142	0.6
236.08557	0.5
239.03424	0.6
243.02937	6.4
245.04469	1.7
254.02228	1.5
255.02966	18.1
256.03265	1.7
271.02478	34.4
272.02902	3.6
273.04041	1.2
273.63931	0.5
274.08780	0.5
283.02386	2.3
299.01923	3.5
300.02731	72.8
301.03494	65.7
302.03915	4.4
313.03540	2.1
340.96545	0.5
347.90088	0.5
397.13705	1.5
398.13947	2.0
399.14169	1.1
415.14734	0.8
416.15012	1.0
417.14783	0.5
421.09525	1.1
447.09332	100.0
448.09683	12.0
465.07950	3.4
611.13953	11.1
611.24121	0.7
612.05469	0.5
612.13647	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	611.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14391	0.5
57.56103	0.5
59.01243	0.8
61.98682	0.9
65.00185	1.4
70.78531	1.7
82.31149	0.6
83.01254	0.7
107.01299	2.6
109.02870	1.2
124.01545	2.1
125.02331	1.5
137.02316	2.6
151.00296	8.3
152.01016	1.3
161.02332	0.7
163.00262	2.0
164.01106	1.6
169.01202	0.6
176.50302	0.5
178.99788	10.2
192.00627	0.6
199.03935	0.6
203.03421	1.3
210.08337	0.6
211.13280	0.7
214.02687	6.7
215.03165	0.8
227.03462	1.5
242.02173	5.1
243.02936	4.6
244.03603	0.6
255.02971	1.8
259.02438	5.8
270.01691	8.3
271.02475	45.0
272.02905	3.3
287.02005	21.8
288.02585	3.1
299.01910	0.9
300.02771	6.2
301.03497	3.0
302.03659	0.8
315.01587	0.6
316.02237	100.0
317.02847	21.1
318.03491	1.1
381.88916	0.6
419.81073	0.6
463.08600	0.9
611.14050	79.4
612.14392	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	611.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.7
63.02273	1.1
65.00194	2.6
66.15096	0.4
69.54533	2.6
71.01239	1.7
75.43668	0.4
83.01240	1.9
84.16320	0.4
85.02812	0.4
87.00773	0.3
89.02301	1.2
91.01780	0.5
93.03342	1.3
101.02321	0.8
102.90480	0.3
106.61972	0.3
107.01272	5.2
108.02067	1.5
109.02834	3.0
113.02353	0.8
119.01242	0.4
119.04882	1.0
121.02840	9.9
124.01486	0.4
125.02309	1.2
135.00771	0.9
137.02388	0.5
139.03864	0.6
145.02840	1.6
147.04294	0.4
148.01534	1.9
149.02318	1.1
151.00267	18.2
152.00537	0.6
153.01884	0.3
159.04395	0.7
162.27092	0.4
163.00270	4.2
163.03894	1.1
164.01045	0.9
167.04912	0.4
169.01332	1.6
173.06035	0.5
175.03955	0.4
178.98225	0.5
178.99788	9.5
180.00111	0.4
183.04427	0.8
185.02356	0.4
187.03908	1.2
190.99796	0.6
192.00526	0.5
198.03070	0.5
199.03946	1.1
200.04683	0.3
201.05467	0.8
203.03513	0.6
211.03856	1.7
211.13313	5.2
212.13649	2.9
213.01862	0.4
213.13863	0.8
215.03531	0.5
216.04263	0.8
226.02681	1.5
227.03452	4.3
228.04057	0.8
229.05005	1.3
235.08229	0.4
239.03407	0.7
243.02948	11.4
244.03374	0.8
245.04526	2.6
254.02222	2.2
255.02968	28.1
256.03329	2.9
257.04559	0.5
271.02469	59.2
272.02930	5.7
273.04068	2.2
283.02451	2.8
284.03235	0.6
299.01990	2.1
300.02731	100.0
301.03464	52.3
302.03900	4.1
397.13736	1.7
398.13971	1.7
399.14120	1.1
415.14410	0.4
416.14777	1.0
417.15060	0.6
429.08185	0.6
447.09299	27.3
448.09677	3.4
489.10370	30.7
490.10590	4.7
514.68994	0.4
548.72205	0.4
580.82062	0.4
581.12909	0.7
593.12970	47.3
594.13275	7.6
611.14008	13.2
612.14313	2.8
612.29584	0.4
634.06415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85389	0.2
55.01754	0.6
57.03317	0.6
58.00455	1.0
59.01247	21.5
60.01583	0.2
61.98686	0.4
68.99707	0.3
69.03326	1.5
69.17595	1.0
69.18024	0.9
71.01250	18.5
72.01579	0.4
72.99174	2.1
73.02818	3.0
75.00737	0.7
81.03323	0.8
83.01263	1.9
83.04895	0.5
85.02819	3.8
85.99940	0.3
87.00748	4.4
88.01142	0.2
89.02314	18.3
90.02631	0.4
91.03899	0.2
93.03341	0.3
95.01257	1.4
97.02818	3.2
98.20597	0.4
99.00761	1.3
99.04417	0.3
101.02320	15.8
102.02647	0.4
103.00249	0.2
103.03861	0.2
105.41001	0.2
107.01286	0.2
109.02817	0.5
111.00773	0.5
111.04406	0.5
113.02321	6.9
113.03085	0.4
114.02676	0.2
115.03932	0.3
119.03384	6.0
121.02863	0.4
123.04390	0.2
124.01579	0.4
125.02332	6.8
127.03999	0.2
131.03366	0.9
133.04948	0.8
135.73172	0.2
136.33664	0.2
137.02338	0.2
139.00287	0.2
139.03896	0.7
141.01875	0.3
143.03404	2.9
149.04475	0.5
151.00229	0.5
157.04970	0.2
161.04456	3.6
163.03926	0.2
165.12773	0.5
167.03387	0.4
167.10637	0.2
167.14319	0.8
169.01273	0.6
178.99800	0.2
179.05536	4.1
181.04904	0.2
181.12196	0.3
183.13815	7.5
184.14157	0.4
185.04506	0.4
193.12263	2.1
199.05975	0.4
211.13326	100.0
212.13667	7.3
212.77681	0.2
214.02686	0.4
215.03389	0.2
217.07150	0.4
221.06639	1.1
233.23586	0.2
235.08192	7.0
236.08496	0.2
243.02977	0.2
245.06631	0.4
253.09172	1.9
259.02466	0.3
263.07681	0.7
270.01678	0.3
271.02457	1.8
277.09210	0.5
287.01962	1.0
287.07700	1.5
299.01981	0.7
300.02658	0.2
305.08853	1.6
315.15826	0.2
316.02216	3.8
317.02750	0.9
323.09805	0.8
361.11331	0.6
379.12366	0.4
397.13461	46.3
398.13754	3.7
415.14548	22.8
416.14877	2.3
463.08795	0.9
464.09308	0.3
561.20746	0.2
609.12518	2.2
609.27710	2.1
610.12769	0.5
610.28070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19536	1.6
55.01759	6.0
59.01241	4.2
65.00194	4.4
68.99691	5.7
70.02847	1.6
70.27647	1.6
81.78473	1.8
84.86538	1.8
87.00746	4.6
87.04371	1.8
99.00793	2.3
99.08060	11.8
113.05973	45.3
117.03371	2.8
122.03628	39.8
122.04462	3.1
123.74106	1.6
132.53821	1.7
137.05984	100.0
138.06317	3.1
139.03923	4.4
139.05461	1.8
155.07018	5.2
167.04871	6.4
167.07056	42.2
171.04439	31.0
181.05029	5.3
193.04993	3.1
195.04478	6.1
206.05894	2.4
211.03972	2.2
211.11177	2.6
211.13240	3.4
213.05399	2.9
233.09494	2.0
238.56802	1.9
239.03482	40.3
241.10226	3.8
255.10168	9.7
265.08646	5.0
296.06723	2.3
297.11252	6.1
301.08698	5.0
309.11356	4.9
311.09290	1.9
329.08209	7.9
353.10272	51.8
354.10748	4.1
359.09103	2.4
362.21692	2.0
368.13791	2.0
383.16516	14.1
384.16953	2.2
387.97000	1.9
399.12299	6.2
427.15396	6.8
443.14902	3.0
451.09299	2.8
451.15405	20.3
452.15277	2.3
469.16461	3.0
532.18872	3.7
547.21228	20.0
548.21234	3.3
565.22260	8.8
609.12921	2.4
609.21228	65.8
609.31250	4.2
610.21692	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	609.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	5.2
57.03321	1.0
59.01235	1.0
65.00190	1.4
68.99679	4.4
69.19477	5.1
69.28582	0.4
71.04930	0.4
79.01740	0.6
83.01243	0.7
85.02827	1.5
85.06467	1.4
87.00749	4.8
87.04398	1.5
94.04117	0.6
97.02838	0.9
99.00780	0.5
99.08035	8.7
99.50819	0.5
101.03870	2.7
107.04911	0.9
109.06492	0.8
111.00751	2.4
111.04442	1.0
113.05962	42.7
114.06308	1.4
115.05389	0.5
116.10284	0.5
117.03329	1.3
121.02887	0.6
122.03619	44.8
123.03937	1.1
127.05492	1.2
137.05975	100.0
138.06340	4.5
139.03888	4.5
145.06520	0.6
149.05940	0.7
150.81076	0.6
152.04628	0.9
154.02605	1.9
155.04868	0.7
155.07065	2.8
166.06270	0.7
167.04819	1.5
167.07043	31.1
168.07385	1.8
169.06488	1.2
171.04417	26.5
172.04752	1.3
181.04985	3.0
183.04457	0.8
193.04994	2.0
195.04408	2.7
211.11218	2.5
213.05524	1.2
227.10835	0.6
233.09705	4.0
239.03482	10.2
239.10780	0.8
241.10350	4.0
242.10564	0.6
243.71333	0.5
245.10030	0.5
250.10124	0.7
253.08688	0.7
255.10265	9.9
257.09625	1.2
259.11411	0.8
261.09119	0.5
265.08707	1.6
265.12314	0.9
266.05698	0.7
267.10089	0.7
270.73517	0.5
272.20657	0.5
273.09128	1.0
279.10364	1.0
285.09259	1.0
291.10208	1.5
292.10709	0.5
295.09830	1.4
297.11429	1.3
298.27078	0.5
299.07242	1.1
301.08603	3.9
303.10181	0.5
307.09860	0.6
309.11359	3.5
316.15045	0.5
318.08936	0.5
319.09750	1.0
327.13733	0.6
329.08179	7.5
330.08691	1.0
337.12390	0.5
339.17477	1.0
347.09189	1.9
351.13931	1.3
353.10260	30.7
354.10632	5.1
359.09253	2.1
365.15564	0.5
367.13385	0.6
368.14185	1.4
371.12924	1.6
383.16531	12.9
384.16898	2.5
391.12976	0.6
392.14288	0.6
399.12311	6.9
400.12744	0.8
401.18109	0.6
407.16589	3.2
409.14502	0.8
411.05011	0.5
411.51019	0.5
423.15482	0.7
425.17889	0.7
427.15442	9.3
428.16040	1.2
441.13422	0.7
442.14029	1.3
443.14948	3.8
451.15402	17.2
452.15762	2.7
469.16470	1.9
487.83691	0.5
495.14886	0.8
521.20227	1.0
532.18927	3.7
547.21234	15.5
548.21448	3.3
565.22339	6.5
566.22693	1.2
609.21240	67.5
610.21631	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Robinetin 3-rutinoside
Peak:m/z	Relative Intensity
55.52055	0.5
59.01251	1.5
63.02254	2.0
65.00195	3.0
70.97443	1.2
73.49825	0.7
83.01257	2.5
93.03339	1.2
94.15351	0.6
105.11791	0.6
107.01260	8.3
108.02074	1.3
109.02850	5.3
117.65221	0.6
119.01242	0.7
121.02831	8.4
124.01501	0.7
125.02324	5.3
135.00745	0.8
137.02267	0.6
139.03896	0.7
148.01611	0.9
149.02322	1.5
151.00266	34.5
152.00609	1.5
159.04353	1.0
161.02322	1.2
163.00266	7.7
164.00938	0.9
165.01878	0.8
169.01326	4.3
175.03909	1.0
177.01840	0.7
178.99777	18.9
183.04352	1.0
185.05992	0.8
187.03862	2.1
190.99780	0.8
199.03970	0.9
201.05482	1.4
203.03447	1.1
207.02939	0.6
211.03934	2.8
211.13097	0.7
212.04179	0.6
213.01752	0.7
215.03360	0.8
226.02744	0.9
227.03455	4.8
228.03850	0.7
229.05040	2.8
239.03468	1.8
243.02937	8.5
244.03448	0.8
245.04491	4.2
254.02100	0.8
255.02965	26.8
256.03394	4.0
257.04446	1.1
257.31473	0.6
271.02454	39.6
272.02899	4.5
273.03949	3.4
283.02438	4.5
284.03201	1.8
285.03952	2.2
299.01944	1.9
300.02728	59.3
301.03488	95.7
301.99170	0.6
302.00293	0.9
302.03787	9.2
316.02310	1.0
426.20117	0.8
429.52939	0.7
466.05844	0.7
537.53796	0.7
609.14575	100.0
610.14917	18.0
610.22412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36477	3.9
59.01228	7.8
59.42361	4.1
59.66224	3.5
60.66864	3.7
63.01321	3.6
66.63076	3.8
70.80001	3.5
70.86826	7.7
70.87177	5.0
71.01257	12.0
75.00752	4.6
81.38074	4.0
85.02813	11.0
87.00742	5.0
89.02299	4.3
113.02348	27.5
125.02323	10.0
177.01917	8.3
205.51100	4.5
220.89229	4.2
267.07181	100.0
271.55499	4.6
305.06485	6.2
311.57175	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	609.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	11.2
69.79358	21.8
74.91937	4.4
106.67345	5.1
109.02838	13.7
121.02848	5.4
125.02336	100.0
137.02312	21.4
139.03857	12.5
149.02362	10.6
165.01820	11.0
167.03418	9.6
175.03897	6.9
177.01854	84.5
177.05334	5.2
178.02231	4.9
191.03519	5.7
194.73586	4.3
199.03922	5.0
201.01830	5.0
243.03046	6.0
255.02882	19.4
256.03604	7.0
273.04037	11.4
283.02328	8.0
285.04099	5.6
303.05017	6.9
305.06680	76.0
306.06595	5.5
390.47980	6.9
423.07108	77.0
424.07397	8.0
441.08206	21.0
442.08484	5.8
483.09171	6.2
634.27594	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	609.1241
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
52.51277	1.7
59.01240	6.2
60.80729	1.7
61.98699	22.9
62.21713	1.9
63.02281	2.6
65.00175	4.5
71.01245	5.6
71.29768	3.7
80.96396	3.5
83.01252	2.8
85.02863	2.5
94.03156	2.1
96.69786	1.8
101.02320	3.4
107.01261	7.0
109.02790	5.2
109.99976	10.4
111.00755	3.4
113.02303	2.5
117.03363	2.1
119.04852	2.5
120.98813	1.8
121.02853	5.6
121.49238	2.2
122.75486	1.9
123.00726	2.8
125.02349	11.7
133.02873	2.9
135.04390	6.1
137.02335	2.3
137.73164	2.0
137.99448	3.9
139.00243	13.3
145.02792	4.6
149.02328	3.1
150.99150	3.0
151.00273	25.7
152.00975	2.4
158.03558	2.1
161.02333	7.0
163.00278	6.8
163.03857	3.4
164.01091	3.5
165.98914	10.2
166.99744	8.8
169.01334	6.7
171.04344	2.5
178.99791	24.1
179.03310	2.6
183.04445	2.6
187.03828	2.8
194.99144	2.2
198.03151	2.0
199.03882	4.1
201.01823	3.4
203.03384	3.6
206.99258	2.0
211.03876	4.0
211.13266	8.1
214.02631	3.6
215.03413	4.1
216.04231	1.9
221.18776	2.0
223.06023	2.3
227.03340	7.0
231.02859	3.0
242.02127	4.5
243.02933	14.0
245.04379	3.1
255.02972	22.5
259.02353	4.8
270.01605	7.8
271.02460	76.7
272.02844	10.2
273.03976	3.9
284.10355	1.9
287.01935	21.5
288.02478	5.5
291.87057	2.0
299.01968	40.1
300.02692	58.1
301.03445	44.7
302.03806	3.2
315.01395	4.8
316.02197	74.5
317.02924	60.1
318.03293	5.0
385.13025	3.6
397.13367	2.9
429.08017	3.0
447.09317	42.0
448.09573	3.8
463.08902	38.1
464.08884	4.2
577.25372	2.5
609.12421	100.0
609.26324	3.4
610.12671	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	609.1246
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
54.76253	1.0
59.01254	2.3
61.98693	5.3
65.00200	3.4
67.82592	1.4
69.18860	12.4
70.35821	1.2
71.01248	2.4
83.01242	2.4
88.98663	5.8
95.01263	2.1
96.95901	1.7
107.01276	7.4
109.02837	6.3
109.99945	6.4
111.00751	4.2
117.03378	1.4
119.04898	2.1
121.02843	3.1
123.00764	3.4
124.01535	3.5
125.02345	10.8
127.29037	1.2
133.02861	4.0
135.00821	1.4
135.04408	5.8
136.98718	1.5
137.02303	2.1
139.00278	6.9
143.04901	1.5
145.02849	3.5
148.01529	2.5
149.02348	1.6
150.38704	1.2
151.00255	22.5
152.00990	4.2
159.04416	2.2
161.02307	8.2
163.00232	4.3
163.03906	1.8
164.01015	2.8
165.99010	6.7
166.99721	4.3
169.01334	13.1
171.04488	2.0
175.03929	1.9
177.01831	2.0
178.99797	16.9
179.03423	2.2
183.04398	2.6
187.03893	2.9
194.99326	1.7
198.03085	1.9
199.03922	5.3
201.01900	2.3
203.03447	2.3
206.99350	2.0
207.99960	1.3
211.04013	1.9
214.02711	3.4
215.03375	4.7
216.04053	1.3
217.09514	1.2
226.02635	1.9
226.06636	1.2
227.03419	7.9
229.05038	1.2
231.02930	3.7
242.02177	5.1
243.02979	14.5
244.03566	2.7
245.04529	2.8
255.02950	22.2
256.03305	2.4
259.02423	4.7
260.03287	1.4
270.01761	6.5
271.02460	71.7
272.03055	10.6
273.04077	4.0
283.02652	1.8
287.01999	16.8
288.02792	5.7
299.01968	46.1
299.05405	2.6
300.02689	57.2
301.03470	41.8
302.03796	3.5
315.01453	4.9
316.02185	70.3
317.02954	46.9
317.06726	2.3
318.03232	3.4
392.11826	1.3
416.80240	1.5
429.08121	2.6
445.07758	1.3
447.09314	45.4
448.09567	8.2
463.08838	30.4
464.09125	3.3
591.11609	1.7
609.12445	100.0
610.12915	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	609.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.5
63.02269	1.8
65.00191	2.3
71.01240	1.0
83.01273	1.8
86.27898	0.6
89.02317	0.9
89.40984	0.6
102.95783	0.6
107.01289	3.2
108.02052	1.6
109.02838	1.4
117.03346	3.0
119.04965	1.0
121.02848	2.7
124.01581	0.7
125.02316	1.6
135.00742	1.4
145.02849	6.7
148.01587	1.3
150.57191	0.7
151.00270	14.8
163.00269	2.2
164.01077	1.0
169.01270	1.4
178.99773	9.4
187.03903	1.2
190.99771	0.8
196.47672	0.8
199.03874	1.4
211.03938	1.4
211.13339	6.2
226.02539	0.8
227.03412	3.0
229.74644	1.0
242.02225	0.9
243.02983	12.4
244.03383	1.0
245.04507	1.2
254.02197	3.0
255.00259	1.4
255.02969	28.2
256.03311	2.2
271.02466	64.8
272.02979	6.2
273.03931	0.9
287.01956	1.1
299.01959	2.6
300.02737	100.0
301.03464	48.6
302.03931	3.1
316.02029	3.7
317.02747	1.1
397.13477	2.5
415.14575	1.4
441.79343	0.7
445.07672	1.0
463.08820	36.2
464.09119	5.1
609.12439	39.4
610.12787	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	609.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.8
59.23549	0.7
63.02264	1.2
65.00194	1.6
69.31983	4.7
71.01247	2.6
78.20132	0.6
83.01257	1.4
87.00761	0.9
89.02313	3.4
96.95856	1.4
98.19795	0.9
101.02308	1.7
107.01277	4.5
108.02041	1.4
109.02828	1.7
113.02294	1.0
114.16103	0.6
116.92725	0.8
117.03335	2.2
117.92706	0.8
119.03401	0.7
119.04896	1.6
121.02818	2.4
124.01543	0.8
125.02348	1.2
144.98015	0.7
145.02852	8.1
148.01511	0.9
151.00273	14.5
161.02267	0.8
163.00270	2.5
163.03938	1.0
164.00990	0.8
169.01311	2.0
169.10631	0.7
178.99794	9.1
183.13756	0.8
192.00609	0.8
211.03947	1.6
211.13341	10.8
214.02722	0.9
215.03334	1.1
226.02623	1.9
227.03362	3.0
229.05086	0.7
243.02948	11.3
244.03403	1.4
245.04469	1.0
254.02118	2.3
255.02985	23.0
256.03326	1.7
271.02466	56.7
272.02985	6.2
273.03958	1.3
283.02612	1.1
287.01944	1.3
299.01962	2.6
300.02728	100.0
301.03461	49.4
302.03873	3.4
305.59842	1.0
316.02307	6.0
343.04758	0.8
397.13464	5.2
404.57898	0.8
415.14508	2.1
463.08823	38.7
464.09122	4.9
569.19135	0.8
593.96436	0.7
609.12469	48.7
610.12677	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	609.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50611	0.6
60.06035	0.5
63.02266	0.7
65.00184	1.3
71.37218	0.9
83.01267	1.0
83.34396	0.5
107.01272	2.6
109.02834	0.9
112.91952	0.5
119.04943	0.8
124.01546	2.9
125.02301	0.8
133.02986	0.6
135.00786	1.0
136.01530	0.6
137.02357	3.7
145.02870	0.6
149.99591	0.7
151.00269	10.7
152.01025	1.5
163.00276	2.5
164.01015	3.1
165.01772	0.8
178.99782	9.1
187.03806	0.7
192.00519	0.7
199.04007	0.7
203.03432	1.6
204.04195	0.7
214.02634	7.9
215.03395	1.8
227.03427	1.1
242.02130	6.3
243.02931	4.7
244.03520	0.8
244.80794	0.6
259.02405	8.0
270.01685	8.7
271.02454	49.6
272.02850	4.0
287.01968	27.9
288.02469	2.7
315.01523	0.8
316.02209	100.0
317.02802	23.4
318.03247	1.6
463.08813	15.0
464.09225	1.4
550.01709	0.7
609.12451	49.3
610.12744	8.4
613.44861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04352	0.2
61.98690	0.2
63.02271	0.8
65.00189	1.1
69.22881	1.8
83.01272	0.9
91.01778	0.2
98.20634	0.3
107.01267	2.4
109.02842	1.0
117.03341	0.2
119.04919	0.7
123.00760	0.4
124.01555	2.5
125.02340	0.7
130.66545	0.1
135.00772	0.8
136.01572	0.5
137.02342	2.7
145.02846	0.7
147.04411	0.2
148.01579	0.2
149.99355	0.2
151.00270	9.1
152.01076	1.3
159.04410	0.4
161.02353	0.3
163.00267	1.9
163.03899	0.3
164.01064	1.6
165.01877	0.3
169.01343	0.9
171.04454	0.3
173.02368	0.2
175.03836	0.4
177.01865	0.3
178.99782	10.3
180.00177	0.5
185.02428	0.3
187.03876	0.6
189.01886	0.3
190.99837	0.4
192.00537	0.8
193.01392	0.2
199.03911	0.7
203.03447	1.1
204.04192	0.6
207.02896	0.2
208.65506	0.2
213.01930	0.4
214.02655	7.8
214.04724	0.4
215.03311	1.6
216.04356	0.2
217.01405	0.3
219.02869	0.3
227.03407	1.3
229.01498	0.2
231.02972	0.6
232.03796	0.7
242.02174	5.9
243.02934	4.4
244.03546	0.6
245.04587	0.2
259.02448	7.1
260.02835	0.7
269.99359	0.1
270.01672	6.8
271.02463	42.9
272.02841	3.2
279.71347	0.2
281.01111	0.2
287.01962	23.7
288.02502	3.8
299.01968	0.8
315.01517	1.5
316.02216	100.0
317.02847	22.7
318.03336	1.0
358.31302	0.2
359.04025	0.2
391.03635	0.2
463.08813	21.1
464.09116	2.5
483.09390	0.2
509.63934	0.2
583.18719	0.2
609.12451	61.4
610.12799	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	606.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50492	0.3
59.01241	0.4
59.48101	0.3
61.98702	100.0
62.42179	0.3
62.61377	0.3
67.80453	0.3
71.01234	0.4
71.28741	0.5
85.02789	0.3
89.02302	0.3
117.87785	0.3
125.02351	1.2
125.19084	0.3
132.33719	0.3
139.41183	0.3
145.02864	1.7
152.50894	0.3
161.02357	0.3
169.01372	0.7
209.11829	0.8
353.25967	0.3
371.22293	0.7
433.25961	0.8
551.80865	0.3
607.30859	1.0
615.48358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.0885
Annotation	Epigallocatechin 3,4',-di-O-gallate
Peak:m/z	Relative Intensity
57.03310	2.5
69.03316	1.1
69.49741	1.4
69.50143	4.7
71.01244	1.4
81.03337	1.4
82.78329	0.8
84.42754	0.9
97.02834	1.7
107.01196	1.0
109.02825	1.0
125.02332	56.2
126.02621	1.7
127.20889	0.9
137.02309	2.2
139.03915	0.9
161.02336	3.6
165.01880	2.0
167.03387	2.9
169.01332	100.0
170.01593	4.2
187.73994	0.8
209.11780	2.7
210.12105	1.6
252.76865	0.9
259.53583	0.8
269.04318	1.2
271.02402	2.9
287.05588	2.4
300.02728	3.0
301.03406	1.7
305.06714	6.2
321.02533	4.3
331.04477	1.0
457.07709	14.1
458.08060	1.2
609.14471	3.4
610.14319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2403
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
52.14872	0.3
53.22512	0.3
69.99675	1.2
72.04436	0.3
87.49602	0.3
97.28275	0.3
100.96130	0.3
106.06476	0.6
156.52592	0.3
158.36232	0.3
169.57800	0.3
231.61363	0.3
310.06473	0.3
415.15439	0.9
416.16400	0.7
429.17264	1.1
430.18100	1.4
438.40955	0.4
443.18835	1.1
444.19235	0.5
445.19812	0.4
455.18970	0.5
457.20621	1.8
458.21216	0.5
459.17590	3.0
460.18195	0.6
461.23740	0.6
469.20215	0.4
470.20892	1.1
471.18112	1.8
472.18918	1.0
473.19751	6.0
474.20404	1.1
475.21301	1.1
485.18576	2.4
485.23242	1.2
486.20660	4.2
487.21344	2.0
496.18890	1.2
497.19876	0.6
499.17493	2.7
500.22705	0.4
501.23904	3.4
502.21381	0.6
511.21545	3.7
512.21442	1.1
513.19434	2.7
514.20074	9.7
515.20203	1.8
517.18768	0.9
518.19775	1.8
528.21405	1.0
529.22406	100.0
530.22736	22.2
532.21313	1.5
533.21747	2.1
561.25311	1.0
573.21289	1.2
574.21362	0.5
605.23987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56074	1.5
57.71957	1.4
59.01261	3.2
60.19999	1.4
60.99167	5.0
62.34862	1.4
66.34188	1.6
87.00769	2.7
88.00268	8.5
88.98682	40.2
89.02316	100.0
98.19830	2.7
98.59438	1.6
106.43035	1.7
125.53967	1.7
173.31593	1.4
185.52390	1.5
185.79123	1.5
219.10788	1.7
254.36931	1.7
304.32666	1.5
356.89410	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09855	2.2
51.95580	2.2
59.01245	44.4
59.41004	2.1
61.98703	17.7
71.01245	3.6
71.49644	3.1
89.02311	2.8
125.02335	5.1
128.03430	2.8
140.88187	2.8
151.00339	3.1
163.11186	2.4
171.10181	16.9
172.10493	4.4
203.05368	3.8
209.11771	100.0
210.12183	6.1
211.13321	10.3
212.13657	4.9
227.12811	9.2
253.09238	5.6
271.02444	6.5
283.13391	3.4
287.02036	4.3
289.18002	17.6
307.19290	15.3
316.02191	13.2
317.12122	35.8
406.57782	2.6
432.36996	2.8
523.68878	2.8
536.50873	2.5
594.26837	2.7
603.09857	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	6.9
62.93449	1.0
96.29985	1.1
96.95881	5.7
98.28452	1.1
100.37975	1.1
106.06509	2.3
107.01256	1.3
108.02071	2.6
113.02294	1.1
125.02346	6.4
148.01563	2.0
151.00266	1.9
161.02357	2.6
167.05899	2.4
169.01427	1.3
170.19795	1.2
195.18716	1.1
212.45828	1.2
226.02800	1.8
227.03450	2.6
243.02975	10.7
254.02278	1.3
255.02985	21.6
256.03201	2.5
269.04465	1.9
271.02460	59.5
271.65567	1.5
272.02933	6.0
299.01913	5.9
300.02731	100.0
301.03082	10.3
307.83716	1.2
317.11417	8.1
321.88458	1.3
489.10593	1.3
531.11365	18.6
532.11981	2.4
545.09961	1.8
550.16193	1.2
587.10382	51.3
588.10791	7.6
605.31665	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	603.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74664	1.2
59.01263	1.6
61.98705	1.4
69.36599	4.1
69.37025	7.7
71.01244	1.7
93.03333	4.5
96.95889	13.5
98.20605	2.9
98.95480	1.4
107.01231	1.5
109.02834	3.0
121.02831	23.6
122.03659	10.3
125.02344	13.0
133.02849	1.5
135.04468	2.6
136.01553	2.8
137.02319	8.2
149.02348	39.2
149.05936	1.7
150.03127	96.8
151.00261	4.3
151.03543	4.0
152.00623	1.8
161.02356	5.1
164.04668	10.4
165.01837	14.4
165.05478	100.0
166.02405	1.8
166.06267	63.3
167.06763	4.1
169.01343	13.3
177.01846	2.7
178.99803	3.0
179.03412	13.8
180.00055	1.3
180.04190	18.6
181.04976	2.0
181.08626	35.8
182.08955	3.0
190.78490	1.5
194.05710	3.6
195.06560	96.8
196.06952	5.7
201.05431	1.4
205.04945	2.7
217.01353	1.8
225.07567	6.3
229.04832	1.4
241.95450	1.3
242.51672	1.3
258.08917	1.4
271.06192	3.5
283.06320	1.5
301.10663	1.8
313.06866	1.4
317.03006	8.4
318.03329	8.6
319.03561	7.6
329.10312	12.1
330.10785	2.3
343.11646	2.7
344.12622	10.7
358.10632	1.9
359.14975	37.3
360.15414	4.6
373.12900	49.0
374.13229	5.4
407.17023	2.4
421.14856	9.3
422.15262	1.9
434.39862	1.3
451.10284	3.2
555.22333	15.8
556.22626	2.9
603.09180	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	603.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22622	0.6
61.98691	0.8
69.26395	2.4
69.26820	4.2
71.01262	0.8
84.67458	0.7
93.03331	3.3
95.01300	0.9
96.95883	1.5
107.01297	1.1
109.02856	0.9
109.86176	0.6
121.02852	9.2
122.03634	12.7
124.01593	1.0
125.02343	2.9
132.45563	0.6
133.02861	1.9
134.03612	0.7
135.04408	0.8
136.01564	1.6
137.02330	2.8
139.00244	0.9
147.04536	0.8
149.02351	30.5
149.05975	1.0
150.03127	94.4
151.00240	2.6
151.03426	4.3
159.90224	0.6
163.03847	0.7
164.04712	5.7
165.01823	8.0
165.05479	100.0
166.06157	11.4
169.01273	1.8
175.03897	1.6
177.01817	0.7
178.99945	1.5
179.03391	6.0
180.04202	11.9
181.04990	13.2
181.08662	4.9
182.05632	1.8
193.01346	1.0
194.05807	1.2
195.06561	80.6
196.07234	11.8
197.08029	2.6
203.03419	0.8
211.09685	8.1
212.09883	0.7
225.05614	1.0
225.07549	4.5
243.02901	0.8
259.02145	0.7
267.06525	0.8
270.96802	0.7
271.02438	1.3
287.01996	4.2
301.10941	1.0
305.02823	3.0
313.10889	1.5
316.02142	4.2
317.03046	2.1
329.10214	7.1
330.10764	0.7
343.11792	10.2
344.12552	6.3
359.10626	1.3
359.14975	25.1
360.15234	2.8
373.12637	2.5
391.13776	1.4
407.17145	1.8
421.15295	0.9
421.62875	0.7
463.08960	5.0
555.22412	8.5
556.22772	1.5
603.09442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.4
61.10421	0.4
61.98694	1.3
67.01770	0.5
68.01395	0.3
69.03337	1.4
69.71191	0.9
69.71613	1.6
76.24399	0.4
79.01753	0.5
81.03349	0.9
82.53662	0.4
83.01225	0.5
89.03837	0.5
93.03332	3.1
95.01301	0.8
95.04902	1.6
96.95885	1.2
97.02831	1.4
105.03350	4.6
107.01299	0.6
109.02852	4.3
111.04406	0.8
117.03349	0.7
119.04942	0.6
121.02857	0.6
123.00750	1.3
123.04419	0.5
124.01546	0.4
125.02336	52.0
126.02695	1.0
131.07855	0.3
133.02852	3.3
137.02303	1.0
139.03889	2.5
145.02863	2.2
149.02356	0.7
151.00253	0.6
151.03915	0.4
157.06496	0.9
158.57588	0.5
159.04410	0.5
161.02351	45.3
161.05984	2.0
162.02675	2.2
165.01883	0.8
166.99792	0.8
167.03400	1.8
169.01338	100.0
170.01689	4.1
177.01851	20.2
178.02232	1.5
183.08020	0.5
185.06009	0.7
187.04028	0.6
189.01868	10.4
190.02365	0.9
191.03505	0.8
193.01373	4.2
199.07680	0.9
201.01837	0.6
201.05466	1.1
203.03354	0.8
216.00571	1.1
217.01372	14.4
217.69962	0.4
218.01750	0.5
219.02937	0.8
227.07108	1.8
229.05034	9.1
230.05283	0.8
231.02902	2.4
233.04483	0.7
241.05025	2.2
243.06610	1.6
256.03812	1.1
269.04623	2.9
271.06119	39.7
272.06467	3.0
272.08957	0.6
283.06091	2.9
287.05615	0.6
291.05109	0.9
303.03799	0.5
305.06686	1.0
311.05615	8.1
312.06070	1.1
316.02185	0.6
321.04108	2.5
322.04214	0.4
339.04999	2.0
357.06180	7.0
358.06665	0.5
415.08252	1.7
433.09225	16.4
434.09344	2.7
451.10318	22.8
452.10736	3.9
477.08264	4.0
478.08334	0.6
531.07837	0.4
585.92059	0.4
603.11322	2.9
604.11627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59062	0.3
63.02261	2.5
65.00190	4.1
65.49185	0.3
69.75542	0.3
70.04997	0.4
70.05325	1.6
80.66805	0.4
81.03327	0.4
83.01241	3.5
107.01265	8.4
109.02831	6.7
123.00758	0.6
125.02338	2.2
137.02330	17.7
138.02657	0.4
151.00267	33.5
152.00636	1.1
163.00255	1.7
164.01039	0.7
165.01836	1.3
169.01328	2.4
170.01593	0.4
174.03123	0.4
178.99774	25.0
180.00079	1.1
190.99802	0.6
191.03346	0.5
192.00497	2.0
193.01306	1.3
199.03903	0.4
215.03217	0.4
217.04916	0.4
227.03377	1.3
243.02910	1.2
245.04468	0.4
259.02347	0.5
261.04037	0.7
271.02383	2.3
272.02789	0.3
287.01892	0.8
289.03406	0.4
299.01974	0.9
316.02338	2.4
317.02982	100.0
318.03339	8.3
399.19254	0.3
449.07147	1.0
503.68719	0.4
546.18549	0.3
601.08264	7.1
602.08545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07637	0.5
63.01988	0.5
63.02256	3.3
65.00203	4.5
70.78217	0.6
70.78555	1.1
78.95776	0.8
83.01254	2.9
93.20913	0.5
95.14094	0.5
96.95882	5.9
96.96855	0.6
100.29168	0.5
107.01257	9.2
108.64846	0.5
109.02831	7.2
125.02379	3.6
137.02342	19.0
143.43974	0.5
151.00275	33.8
152.00630	1.4
161.02199	0.5
163.00278	2.9
164.00987	0.9
165.01855	1.6
169.01329	2.3
178.99777	25.8
180.00145	1.3
183.04338	0.8
189.05486	0.5
192.00572	1.9
193.01326	1.6
199.03896	0.8
203.03378	0.8
205.84012	0.5
227.03499	1.7
243.02939	1.6
245.04396	0.9
260.27585	0.6
261.03986	0.7
271.02457	3.2
272.02948	0.6
287.02029	1.1
289.03586	0.6
299.01935	1.3
316.02234	1.6
317.03000	100.0
318.03323	8.2
449.07245	0.5
564.47266	0.5
601.08246	14.4
602.08655	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	603.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38731	0.4
50.78199	0.4
61.98697	3.3
64.01206	0.4
65.00176	0.8
71.01261	0.7
71.49648	0.6
81.14870	0.4
83.66013	0.4
86.78616	0.4
96.95880	0.9
107.01264	1.2
108.02053	1.9
109.02795	0.6
121.02844	0.4
125.02347	1.1
128.03435	0.4
135.00752	0.7
148.01538	2.0
151.00302	2.0
163.00310	0.8
169.01311	0.8
171.10178	1.3
178.99742	1.6
199.03922	1.6
203.03520	0.5
211.03839	0.4
215.03357	1.0
216.04091	0.8
226.02689	1.2
227.03447	3.2
233.50682	0.4
243.02963	12.0
244.03285	0.8
254.02133	1.6
255.02969	26.3
256.03317	1.6
271.02469	59.7
272.02905	6.5
299.01941	3.8
300.02734	100.0
301.03122	10.2
306.07376	0.5
309.17136	0.4
315.09042	0.5
387.78287	0.4
489.10562	0.9
531.11438	55.9
532.11865	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	599.1045
Annotation	Orientin 2''-O-gallate
Peak:m/z	Relative Intensity
61.98708	2.4
62.50905	0.3
62.55700	0.3
63.02269	3.2
65.00193	6.3
69.37785	1.5
69.38206	1.2
80.99213	0.3
81.03307	0.7
83.01257	4.5
91.01770	0.4
93.03329	1.1
95.01247	0.4
100.26650	0.3
107.00535	0.8
107.01267	13.2
109.02838	11.2
119.01256	1.1
121.02834	5.7
123.00750	0.6
124.01537	0.9
125.02338	4.5
135.00772	0.6
137.02342	18.7
138.02690	1.1
139.03856	0.4
141.01920	0.4
143.04884	0.4
148.01608	0.4
149.02353	1.2
151.00273	53.0
152.00578	2.1
153.01842	3.5
155.03453	0.7
159.04391	0.6
159.66319	0.3
161.02371	0.6
163.00285	5.2
163.03947	0.8
164.01013	1.1
165.01859	2.2
169.01335	4.6
171.04538	0.3
175.03889	1.0
177.01784	0.5
177.05466	0.4
178.99785	39.7
180.00122	1.6
183.04390	0.9
187.03923	1.5
189.01834	0.5
190.99808	0.8
191.03397	0.4
192.00580	2.6
193.01378	1.7
199.03940	1.0
201.05624	0.7
203.03432	1.3
209.11714	0.4
211.03944	1.1
213.01762	0.5
214.02625	1.2
215.03409	1.1
217.04996	0.4
227.03445	2.4
229.01367	0.5
229.05028	1.4
231.02910	0.8
242.02185	1.6
243.02985	3.4
244.03355	0.6
245.04596	2.7
255.02962	2.8
256.03549	0.7
259.02554	2.2
261.04071	1.5
270.01663	1.5
271.02454	13.6
272.02875	1.0
273.03961	1.8
280.64050	0.4
283.02594	1.1
287.01978	6.4
288.02469	0.8
289.03577	0.8
297.06354	0.4
299.01981	2.4
300.02484	1.0
301.03528	58.7
302.03912	5.2
315.01486	3.3
316.02219	18.6
317.02997	100.0
318.03317	8.4
445.07898	0.7
463.08795	3.3
464.08981	0.4
599.10394	43.0
600.10797	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	597.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.7
61.98699	21.3
65.00584	0.6
71.01244	1.3
81.03319	14.6
82.03628	0.7
83.04893	42.0
84.05216	2.1
100.07550	6.2
104.72353	0.6
125.02316	3.1
126.05475	1.2
126.58538	0.7
127.03918	0.9
141.15685	0.7
149.52589	0.6
164.33276	0.7
169.01357	0.9
192.04189	1.2
199.18066	7.5
202.18932	0.6
224.17667	0.8
225.16060	8.6
234.70316	0.6
243.17105	20.4
244.17421	1.3
265.07202	2.0
269.15121	1.1
270.05264	0.8
285.07590	1.5
287.02335	0.6
300.10086	1.0
309.21817	1.1
331.11856	1.2
346.32220	0.7
353.20828	7.3
354.20996	0.8
355.66043	0.8
384.92822	0.6
413.43250	0.7
435.16550	0.6
451.33008	1.7
469.33908	15.7
470.33975	1.6
579.37549	2.8
597.38690	100.0
598.39038	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	599.1042
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
57.64466	0.1
58.95050	0.1
59.01241	0.3
61.98666	0.2
63.02268	2.1
65.00191	1.2
67.01740	0.2
69.03316	0.2
69.59842	0.3
69.60269	0.5
71.01250	0.8
72.21536	0.1
72.99164	0.1
73.02805	0.3
75.00714	0.2
79.01748	0.3
83.01254	1.7
85.02827	0.6
87.00732	0.3
91.01759	0.1
93.03327	1.4
95.01260	0.9
97.02820	0.2
98.24911	0.1
101.02306	0.4
101.74400	0.1
107.01270	6.0
108.01514	0.2
109.02810	0.4
111.00756	0.4
113.02336	0.7
117.03354	0.2
121.02823	0.2
123.00766	2.8
123.04382	0.3
124.01579	0.3
125.02338	6.7
126.02612	0.2
127.00185	0.2
130.04039	0.1
131.04900	0.2
133.02840	0.3
135.00771	0.5
136.98682	0.5
137.02293	0.3
138.03091	0.2
139.00279	1.0
140.01056	0.7
141.01833	0.2
141.07021	0.1
143.04936	0.8
145.02841	0.6
145.06458	0.2
147.04431	0.1
149.02271	0.2
151.00273	9.8
152.00600	0.4
153.01814	0.4
154.04114	0.3
154.99809	0.1
155.04909	0.2
156.62526	0.1
157.06447	0.5
158.03577	0.1
159.04462	0.7
161.02333	0.3
163.00296	1.4
164.01071	1.0
165.01817	0.5
166.02531	0.1
166.99747	0.2
167.03439	0.2
167.04924	0.3
168.00552	1.2
169.01337	11.4
169.06487	0.6
170.01675	0.4
171.04413	0.6
172.04941	0.1
173.02356	0.3
175.03995	0.1
177.01862	0.3
179.03494	0.2
183.04376	0.1
184.05177	0.2
185.06000	1.9
187.03940	1.3
188.04341	0.2
189.05449	0.5
191.03513	0.1
192.00562	0.2
194.86517	0.1
195.04492	0.3
196.00186	0.3
196.05208	0.2
197.06023	0.3
199.03906	0.4
201.05528	0.5
211.02237	0.2
211.03940	0.6
212.04471	0.2
213.03975	0.1
213.05551	1.5
214.02602	0.3
214.05898	0.2
215.03444	0.2
223.04115	0.1
227.03458	1.3
228.03743	0.3
229.05005	4.8
229.07300	0.2
230.05354	0.4
239.03392	0.6
240.04224	0.4
241.04977	1.1
243.02925	0.4
255.03018	0.8
256.03723	0.5
257.04538	5.4
258.04883	0.5
267.02844	0.3
284.03299	1.3
285.04025	100.0
286.04376	8.3
312.04819	0.2
313.05637	40.1
314.05957	2.9
416.44879	0.1
522.84778	0.1
599.10669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34641	2.1
57.03318	5.6
59.01260	11.0
61.98690	4.2
65.00188	2.0
70.14447	8.6
71.05633	1.9
79.01756	6.4
80.55096	2.1
80.68353	1.9
83.01250	2.8
90.88829	2.1
99.08035	7.3
109.02807	2.7
111.04383	3.2
113.05995	3.5
115.70196	2.0
121.02819	2.0
125.02322	3.4
127.03883	2.0
135.04427	5.2
136.01552	4.9
137.05980	3.0
138.03119	32.7
139.03909	2.8
141.05487	5.5
145.02859	55.0
146.03242	2.8
151.03886	2.2
152.99518	2.5
153.05466	64.2
154.05801	3.1
165.09097	3.7
167.07043	38.1
168.07376	3.9
171.04311	10.6
173.06009	4.4
173.09671	3.2
177.05334	2.4
179.03362	9.3
183.06548	5.4
193.04959	6.7
198.06911	2.1
204.11078	2.6
209.08192	8.4
211.11310	4.5
211.13339	3.5
225.07687	4.6
239.10730	6.2
253.12311	6.4
255.10191	11.3
267.06555	13.5
268.07297	2.8
271.09790	8.6
281.08331	2.7
283.09753	62.2
284.10165	4.9
297.11298	100.0
298.11636	16.6
299.09219	46.0
299.12271	3.6
300.09586	4.3
313.10739	15.6
508.29602	2.5
597.20764	24.8
598.21808	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	597.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67960	0.4
51.88969	0.4
55.01752	1.9
57.03053	0.6
57.03317	7.5
59.01234	1.4
60.53804	0.4
68.99670	0.8
69.03322	0.7
69.26438	1.6
69.26867	2.4
71.04889	2.4
71.12652	0.4
79.01760	7.8
79.05383	0.9
81.03324	0.9
83.01249	1.8
83.04891	2.8
85.02819	1.0
87.04390	1.2
93.03321	0.5
95.04902	0.5
96.36312	0.4
97.02843	1.1
99.04396	8.1
99.08025	7.0
107.04882	0.7
107.58166	0.4
109.02808	2.4
111.00759	0.6
111.04429	0.5
113.02343	0.7
113.05977	0.5
121.02772	0.7
121.06451	1.1
123.04395	2.5
123.07994	0.6
124.01557	1.3
124.98694	1.0
125.02302	2.2
125.05936	1.2
127.02955	0.9
127.03891	17.0
127.05392	0.9
128.04221	0.7
135.00748	0.6
137.02327	0.7
138.03108	0.8
141.06920	0.5
143.04942	0.5
145.06464	1.3
147.04407	0.8
149.02365	1.0
149.05981	8.1
150.03101	0.9
150.06303	1.1
151.03899	3.1
152.01018	1.0
152.04704	2.3
153.01863	0.5
153.05450	1.2
155.03433	1.0
156.05699	1.0
157.06488	1.1
159.08051	0.6
165.05489	0.6
165.09122	0.7
166.02557	0.6
166.06212	0.8
167.03375	0.6
167.07048	23.3
168.07321	1.3
169.04985	10.0
169.06401	0.4
171.04410	5.7
171.10281	0.5
173.05998	5.8
173.09651	0.9
177.01843	2.8
178.02596	0.8
179.03387	0.7
180.00566	0.8
182.07356	0.5
183.08041	2.4
185.09740	0.5
193.04979	12.4
194.05388	1.8
195.08060	0.8
197.06155	0.5
197.64812	0.5
199.07507	0.9
209.08087	1.8
209.09816	0.6
211.06035	12.8
211.07567	0.6
211.11203	2.7
211.13307	6.5
212.06396	1.0
227.10698	0.5
229.12332	0.5
233.02234	0.5
237.09219	1.4
238.09792	0.6
239.07040	2.3
240.07755	0.6
243.06560	3.8
251.07213	0.6
253.08615	1.5
253.12315	14.6
254.12689	1.7
255.10262	3.7
256.10574	0.4
257.08191	7.1
257.10800	0.9
275.10516	1.1
279.10269	0.4
281.05072	0.6
281.08188	10.7
282.08582	2.0
283.09756	0.5
284.06842	0.9
295.09857	0.5
297.11295	100.0
298.11642	15.8
299.09204	72.2
299.11664	3.4
300.09528	6.9
302.52875	0.5
307.06412	0.5
329.11841	0.8
329.23361	0.7
357.14819	0.8
383.16440	1.6
385.14575	1.2
401.17490	0.6
403.15332	2.1
411.12454	1.1
429.13409	3.4
451.15494	1.8
489.81531	0.5
553.22333	1.3
579.20184	0.9
597.21106	2.5
598.21039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72395	0.3
53.37271	0.3
55.01747	1.7
57.03051	0.5
57.03322	5.5
59.01240	1.4
61.98695	1.4
63.18666	0.3
64.54505	0.3
65.03854	0.4
68.99694	1.1
71.04882	0.7
71.40755	0.4
71.41092	0.4
79.01764	7.4
81.03330	0.4
83.01247	1.2
83.04900	1.2
85.02816	0.7
86.47677	0.3
87.04383	1.0
90.53222	0.3
97.60674	0.3
99.04402	2.2
99.08033	3.0
101.03870	0.4
107.04918	0.4
109.02843	2.2
111.00756	0.4
111.04391	0.3
113.02324	0.5
116.44533	0.3
117.06993	0.3
119.04884	0.4
121.06487	0.9
123.04416	1.2
124.98692	0.8
125.02328	2.0
125.05982	1.0
127.03906	5.3
127.05373	0.4
128.13968	0.3
137.02347	0.4
141.07040	0.4
142.30396	0.3
145.06477	0.6
147.04408	1.2
147.41591	0.3
149.02299	0.4
149.04872	0.6
149.05997	8.6
150.03113	1.1
150.06331	0.4
151.03044	0.3
151.03937	3.0
152.04665	1.1
153.01846	0.5
155.03400	0.6
155.08565	0.6
157.06473	1.0
159.08047	0.9
161.05994	0.4
163.03862	0.3
165.05348	0.5
167.05618	0.6
167.07045	12.0
168.07422	0.6
169.01353	0.5
169.04988	3.9
169.06400	0.5
171.04428	5.9
172.04733	0.6
173.05980	1.9
173.09625	1.3
177.01797	0.4
178.02650	0.5
178.99898	0.4
183.08051	1.7
193.04984	12.4
194.05305	0.7
195.08122	0.5
196.08838	0.5
197.09604	0.4
198.06673	0.3
199.07486	0.4
200.08415	0.8
211.06058	7.0
211.07918	0.5
211.11238	2.4
212.06302	0.5
213.05489	0.4
213.09033	0.7
225.12816	0.5
233.09613	0.4
235.11183	0.5
237.09154	0.5
239.07152	1.1
253.08533	0.4
253.12320	10.4
254.12677	1.0
255.10283	2.8
256.07376	0.5
257.08197	5.8
269.12082	0.4
271.09747	0.4
279.10416	0.4
281.08173	2.3
282.08731	0.4
283.09726	1.1
297.11319	100.0
298.11636	10.2
299.09241	21.9
300.09656	1.8
301.08792	0.5
313.10898	0.6
323.09372	0.4
341.10254	0.6
361.23703	0.5
367.13086	0.5
379.24738	0.3
385.14099	0.4
401.17560	1.1
403.15363	1.5
411.12030	0.5
427.15628	0.6
429.13416	1.4
579.20459	0.9
597.20886	1.0
597.32648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.1
57.03324	7.6
59.01242	3.8
60.63053	0.9
61.98711	1.6
66.00440	1.0
68.91229	1.0
68.99666	1.6
71.04897	1.6
71.48718	1.2
71.49101	1.1
77.51801	1.0
79.01745	7.4
83.01259	5.5
83.04910	1.1
94.68329	1.1
99.04393	6.2
99.08036	14.4
101.02356	1.1
107.04914	2.5
109.02843	4.1
113.02309	4.0
123.04385	2.4
125.02347	5.6
125.05978	2.8
127.03901	11.3
131.04904	1.1
137.02318	1.4
138.03085	2.1
141.05531	1.1
145.06505	2.2
149.06009	8.7
151.03920	12.6
152.04659	1.7
153.05504	2.1
156.65483	1.1
156.97285	1.0
161.41086	1.3
167.03320	2.8
167.07050	69.8
168.07361	4.7
169.01302	2.3
169.04974	16.4
169.10101	2.8
171.04427	9.2
173.05968	2.3
183.08066	2.4
193.04976	16.3
194.05463	1.3
195.08130	1.6
197.09666	1.7
209.09808	1.4
209.11635	2.3
210.12163	2.6
211.11214	4.3
211.13097	1.3
213.05595	1.1
213.09131	6.8
215.07042	4.1
238.09836	1.3
239.07021	1.7
241.08606	4.7
253.12332	16.9
254.12463	1.3
255.10234	16.0
256.10480	1.7
257.08124	5.4
262.18097	1.1
271.09796	2.6
283.09821	13.2
297.11310	100.0
298.11728	9.0
299.09198	14.0
300.09616	1.8
309.07968	1.0
313.10724	2.6
339.12332	18.6
340.12509	1.3
341.15338	1.7
350.59265	1.1
385.14499	4.2
403.15433	3.9
427.15356	6.8
429.13297	7.5
455.83688	1.4
579.19904	7.1
580.20544	1.9
597.12384	2.2
597.21356	23.5
597.31342	2.8
598.21680	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	597.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.2
57.03315	5.2
59.01230	1.6
59.57401	0.6
60.26458	0.7
68.09433	0.6
68.99676	0.7
70.82519	1.5
71.04879	2.4
72.59385	0.6
79.01763	8.4
79.05410	0.6
82.77252	0.7
83.01228	1.8
83.04874	1.9
87.04397	0.8
95.01277	0.9
96.44494	0.6
97.02840	0.9
99.04395	7.9
99.08030	6.9
109.02850	2.4
110.80433	0.7
111.04441	1.1
113.02331	1.2
121.06485	0.8
123.04382	2.5
124.01566	1.6
124.98692	0.9
125.02354	1.9
125.05932	1.5
127.03896	16.7
127.05360	1.3
133.06519	1.0
141.06926	0.8
145.06497	2.0
147.04332	0.7
149.02312	0.8
149.05963	7.8
150.03099	1.4
151.03914	2.9
152.04678	1.9
153.05429	1.2
157.06488	0.8
159.08041	1.0
165.09114	1.0
167.07051	25.3
168.07373	1.8
169.04955	11.2
171.04436	6.5
173.06023	5.3
173.09581	1.3
177.01843	2.2
178.02678	0.8
183.08067	2.5
193.04999	9.8
199.07361	0.9
209.08096	2.8
209.09871	0.8
210.06747	0.8
211.06068	12.5
211.11243	2.3
211.13358	3.2
213.09039	0.9
237.09143	0.9
239.07068	1.5
243.06592	4.8
253.08551	1.3
253.12302	14.8
254.12643	1.5
255.10231	3.1
257.08191	6.8
263.07227	1.1
281.05396	1.3
281.08185	11.5
282.08551	1.7
297.11316	100.0
298.11621	10.1
299.09222	72.7
300.09549	6.3
301.08606	1.2
327.10394	0.7
329.11719	1.2
383.16708	1.8
385.14572	1.3
401.17468	1.2
403.15567	3.0
411.12601	0.9
429.13434	3.2
445.16412	0.8
451.15311	1.5
553.22693	1.2
579.20361	1.4
597.21033	3.6
598.21997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.2
59.01260	2.0
61.98685	1.9
69.03349	1.2
69.60895	1.4
69.61292	5.8
70.30338	1.1
71.01241	1.9
72.17094	0.9
73.02800	1.8
81.03324	10.2
81.57378	0.9
83.01256	6.5
85.02829	1.5
93.03339	4.8
95.01243	3.0
95.04894	5.2
95.56548	1.0
96.95901	1.4
97.02821	4.5
99.04383	1.3
107.04942	2.4
109.02826	3.9
111.04423	3.6
113.02368	2.0
119.04899	10.4
121.02845	4.3
121.06526	1.7
123.00827	1.2
123.04405	16.5
125.02316	13.6
131.03355	1.1
135.04419	4.4
137.02348	6.3
137.05983	6.5
139.03902	11.8
140.04224	1.2
147.04379	2.9
149.02283	1.3
149.05975	2.3
151.03914	3.6
153.05458	1.9
161.05887	2.0
163.03929	4.0
165.01804	1.8
165.05495	7.7
167.03401	29.7
168.03638	1.6
175.03896	1.3
177.01888	1.4
177.05496	2.7
179.03410	9.3
180.04172	1.8
181.04968	1.4
189.05498	6.5
190.05991	1.1
191.03479	2.5
193.04999	4.6
197.04483	4.6
207.02937	1.9
207.06549	2.3
209.04482	25.5
219.06572	1.2
221.04396	5.8
233.04521	2.9
235.06039	1.3
239.05522	12.8
251.05550	3.7
263.05566	2.1
269.06726	1.8
273.07736	3.6
273.64389	1.3
275.05411	1.9
277.70688	1.1
281.06610	1.5
285.07724	2.2
287.67010	1.0
315.08731	16.7
316.09143	2.0
327.08658	7.1
328.08902	1.2
341.10349	1.6
345.09683	7.6
357.09763	100.0
358.10098	10.3
364.99744	1.1
369.09796	6.5
387.10825	82.0
388.11200	9.5
399.10944	5.2
417.11877	25.8
418.12125	3.1
429.11566	2.9
441.11923	1.8
459.12903	11.1
460.13031	1.5
477.14017	20.5
478.14288	3.8
489.14066	7.3
507.15179	3.6
579.17194	2.1
596.40521	2.2
597.18250	11.4
597.30463	2.2
598.18964	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.9
58.49622	0.5
59.01241	0.9
65.03798	0.9
67.01781	0.6
68.99661	1.2
69.03307	1.2
70.78043	1.4
71.01242	2.0
81.03327	7.8
83.01254	5.3
85.02824	2.0
93.03324	4.4
95.01245	2.0
95.04907	4.7
97.02844	5.2
99.04395	3.4
103.60961	0.5
107.04905	1.8
108.02057	1.0
109.02822	2.9
111.04384	2.5
113.02328	1.6
118.60471	0.6
119.04913	8.3
120.67432	0.6
121.02818	3.8
121.06453	1.2
122.03638	1.0
123.00723	1.0
123.04408	15.0
125.02335	10.3
130.04205	0.6
135.04399	4.0
137.02325	5.9
137.05972	7.7
139.03903	8.6
145.02916	0.7
147.04436	3.8
149.02367	1.3
149.05975	1.7
151.03934	3.1
151.07535	1.0
153.05460	1.4
155.03392	1.5
161.02313	1.2
161.05966	1.5
163.03926	3.5
163.07590	1.1
165.01823	2.7
165.05479	6.2
166.02582	1.8
167.03409	29.7
168.03755	1.4
177.01868	1.0
177.05490	2.0
179.03432	7.3
179.07030	1.5
181.05029	2.8
189.05499	6.8
191.03418	2.3
191.07057	0.9
193.04967	5.3
195.06520	1.0
197.04536	4.7
205.01453	0.7
205.04984	1.2
207.02864	1.0
207.06557	2.2
209.04489	29.0
210.04735	1.3
219.02869	1.1
219.06473	0.8
221.04483	5.0
222.04918	0.7
229.08601	1.6
230.68254	0.6
233.04491	1.0
235.06136	1.2
239.05588	11.2
247.05928	0.6
251.05623	4.5
263.05630	1.2
269.06671	2.0
273.07693	3.2
281.06583	0.8
285.07748	1.5
293.06827	1.0
315.08728	17.5
316.09030	1.5
327.08661	8.0
341.10098	1.2
345.09784	5.8
355.08273	1.2
357.09769	100.0
358.10095	10.0
369.09680	5.2
370.09790	0.9
371.11346	0.9
385.09573	0.7
387.10825	81.9
388.11182	7.6
399.10757	4.4
417.11890	22.7
418.12314	2.6
429.11917	2.4
441.11896	1.2
447.13223	0.8
459.12970	11.6
460.13403	0.9
471.13364	1.0
477.13968	23.8
478.14401	2.7
489.13950	8.2
507.15134	2.8
532.67657	0.7
578.84064	0.6
579.17371	1.7
597.18213	13.6
598.18695	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2334
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
55.01765	1.4
57.03320	4.9
67.23107	0.4
79.01757	2.5
83.01256	2.9
87.04385	0.5
92.98006	0.4
97.02858	0.9
99.08026	7.7
112.07951	0.5
146.85252	0.4
149.06006	4.3
152.04701	1.3
162.06752	0.4
166.06281	0.5
167.07056	55.4
168.07414	2.1
171.04424	8.3
175.08911	0.4
183.08090	0.7
185.06180	0.4
191.03722	0.4
193.04993	11.7
196.08928	0.8
211.11177	4.8
222.95435	0.5
253.12328	20.0
254.12625	1.7
255.07590	0.9
255.10265	17.7
256.10547	1.9
274.38022	0.4
295.13336	1.1
297.11313	100.0
298.11642	8.4
339.12347	11.5
340.12738	0.8
383.16431	1.4
401.17465	0.6
427.15436	12.5
428.15729	1.8
474.78091	0.4
577.21899	1.0
595.23322	3.9
596.24109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66613	0.6
55.28848	0.7
55.53038	0.6
57.03315	1.1
58.00459	1.3
59.00961	1.3
59.01249	19.6
61.98699	5.9
66.43039	0.8
69.38758	5.0
71.01250	14.3
71.03120	0.6
72.99164	1.2
73.02809	0.8
74.02352	0.7
80.04933	3.7
85.02821	2.7
86.34435	0.6
87.00747	1.7
88.98699	3.7
89.02314	9.7
94.06487	2.8
95.01254	1.2
95.04929	0.6
96.08072	1.1
96.95876	0.8
97.01567	2.4
101.02311	7.3
104.04943	0.8
105.90211	0.6
106.06496	2.0
108.04429	2.0
109.05206	1.2
110.06036	1.0
113.02321	4.7
119.03389	2.4
120.04430	2.3
121.05225	7.0
122.06002	13.3
124.07568	15.5
125.02333	3.4
125.07857	0.8
126.02660	0.7
128.03416	1.0
136.03943	1.6
137.09586	0.7
138.05624	0.9
140.07069	1.6
143.04512	1.7
148.03941	40.0
148.07564	1.0
149.04292	1.9
150.05527	11.0
152.07114	0.9
161.04437	1.1
164.07109	1.3
165.05478	1.1
166.05023	2.7
168.06595	6.5
169.01381	1.5
179.05510	0.8
181.80418	0.8
192.45270	0.8
194.04518	2.1
195.06538	0.8
209.11787	1.2
213.10193	1.3
215.08186	1.0
225.06709	4.2
226.07382	1.5
227.11835	1.2
229.09685	3.7
229.13379	1.4
230.10431	1.8
231.11340	15.3
232.11563	1.2
239.08279	1.1
240.09029	4.2
243.07625	1.9
243.11375	2.0
244.12126	2.3
254.10550	0.9
255.11363	39.9
256.11740	3.8
257.09293	2.5
259.10931	0.8
272.09085	1.2
272.11642	6.0
273.12415	21.4
274.12753	1.5
275.10535	1.4
306.07623	2.6
328.10437	1.6
372.09225	1.0
373.21591	0.9
373.25970	10.6
374.26248	1.5
416.11899	1.5
435.17731	7.6
453.18744	36.7
454.19168	5.7
479.16699	7.0
480.17218	0.9
496.17139	2.4
497.17764	100.0
498.18063	16.2
535.27667	0.8
574.49792	0.7
595.24976	17.3
596.25525	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	595.2335
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
50.36120	0.2
54.95132	0.2
55.01754	2.2
57.03329	1.9
63.02519	0.2
71.26000	0.4
76.16248	0.2
79.01768	0.5
97.02816	0.9
97.88279	0.2
99.00726	0.5
99.08035	20.5
100.08356	0.5
111.04431	0.2
118.76878	0.2
123.08063	0.5
125.05965	0.3
130.98001	0.2
133.02814	0.3
149.05988	0.5
150.35062	0.2
152.04675	1.5
167.07051	100.0
168.07388	4.6
188.04739	0.3
193.04973	0.7
203.07066	3.4
203.16150	0.2
204.07428	0.3
219.06642	0.3
247.03580	0.3
247.06085	5.1
247.08499	0.4
248.06404	0.3
253.12279	0.4
277.08725	0.3
291.10349	0.4
297.11288	2.6
298.11658	0.3
339.17538	0.8
368.14560	0.3
383.16501	4.1
384.16711	0.4
409.14880	0.2
427.15475	8.5
428.15952	1.4
493.30035	0.2
511.72290	0.2
551.24542	0.5
595.23315	6.0
596.23944	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	595.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03321	3.1
60.48703	0.2
65.15612	0.2
68.99689	0.3
79.01763	4.4
79.05408	0.5
84.09429	0.2
87.04400	0.4
91.26192	0.2
94.72066	0.2
99.08002	0.3
109.02818	0.6
121.06488	0.6
125.05972	0.5
147.04419	0.4
149.05992	5.7
150.03137	0.8
152.04643	0.3
157.23421	0.3
159.08044	0.9
161.06081	0.3
162.06747	0.4
166.06281	0.4
167.07068	4.0
171.04462	2.0
173.09628	0.6
178.02652	0.8
183.08061	1.2
191.03410	0.3
193.04985	7.5
194.05444	0.4
196.08705	0.4
197.09641	0.3
200.08368	0.6
207.15759	0.3
209.08089	0.7
211.11223	1.3
225.12672	0.4
229.12271	0.4
253.12300	9.1
254.12537	0.7
255.10190	1.0
297.11307	100.0
298.11658	10.1
550.78802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2332
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
55.01756	1.2
57.03321	4.2
68.99671	0.5
70.50976	0.4
70.51340	0.5
78.20876	0.2
79.01757	6.6
83.01266	1.1
87.04399	0.6
95.04913	0.2
97.02795	0.2
99.08038	3.7
109.02840	0.6
117.06912	0.2
121.06452	0.8
123.08022	0.6
125.05972	0.4
133.06447	0.3
142.15744	0.2
147.04370	0.6
149.05977	6.8
150.03091	1.1
152.04671	0.5
155.08636	0.3
159.08022	0.6
165.09111	1.9
166.06331	0.6
167.07047	11.4
168.07365	0.5
171.04419	3.0
172.04839	0.2
173.09665	0.8
178.02553	0.5
179.03441	0.2
183.08078	1.6
192.54344	0.2
193.04980	8.7
194.05502	0.5
196.08853	0.4
197.09628	0.4
198.06670	0.3
200.08302	0.6
208.07335	0.2
209.08105	6.7
210.08583	0.3
211.11235	2.2
220.08788	0.3
225.12802	0.3
229.12256	0.3
253.12306	8.6
254.09552	0.3
254.12695	0.7
255.10217	3.4
256.10455	0.3
258.77655	0.2
281.08182	0.2
282.08960	0.3
297.11301	100.0
298.11646	7.4
357.11240	0.8
383.16537	0.5
401.17535	0.9
427.15488	0.7
549.24744	0.2
556.60706	0.2
595.23285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2336
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
55.01756	3.4
57.03321	2.0
71.06759	0.4
77.17225	0.2
79.01768	0.5
82.05093	0.2
86.26396	0.2
90.37233	0.2
97.02806	0.5
99.00739	0.5
99.08031	25.4
100.08364	0.8
100.40044	0.2
125.05941	0.2
132.93082	0.2
133.02866	0.7
152.04709	1.3
159.08066	0.3
161.05974	0.5
166.06261	0.3
167.07047	100.0
168.07391	4.1
169.93863	0.2
175.07582	0.4
187.03961	0.2
188.04703	0.6
203.07074	5.3
204.07394	0.2
219.06609	0.2
224.22490	0.2
247.06093	6.4
247.11334	0.3
248.06401	0.4
255.10268	0.2
259.11249	0.2
262.98148	0.2
274.43246	0.2
277.08832	0.3
291.10382	0.4
297.11337	1.2
307.59064	0.2
323.14465	0.3
339.17383	0.9
383.16495	4.5
384.16943	0.6
427.15463	13.0
428.15714	2.7
455.10114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.3
57.03048	0.3
57.03322	3.4
61.76828	0.3
67.65589	0.2
68.99683	0.7
70.36858	0.9
79.01762	3.8
79.05392	0.3
83.01241	2.6
87.04394	0.4
87.44484	0.2
93.94476	0.3
97.02816	0.4
99.08028	5.7
109.02837	0.4
121.06478	0.5
123.08126	0.4
125.05972	0.6
131.04924	0.3
138.32167	0.3
147.04448	0.4
149.05978	4.6
150.55769	0.3
152.04677	1.5
159.08066	0.4
166.06300	0.5
167.07043	25.7
168.07356	1.1
169.10063	0.3
171.04424	3.7
173.09592	0.3
183.08028	0.9
185.05920	0.3
191.03401	0.3
193.04990	7.0
194.05637	0.4
195.08035	0.4
196.08858	0.6
201.92314	0.3
211.11290	6.8
211.13293	1.3
212.11522	0.7
213.09091	0.5
237.09058	0.3
253.12323	11.0
254.12650	0.9
255.10242	18.2
256.10590	1.5
269.11722	0.4
281.08273	0.4
297.11301	100.0
298.11664	10.4
339.12344	4.4
340.12601	0.6
427.15414	4.7
428.15826	1.0
488.18277	0.3
517.72162	0.3
577.21790	0.5
595.22888	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	595.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03320	5.3
69.32314	0.7
69.32716	3.7
79.01753	7.3
87.04400	0.7
99.08035	9.6
109.02815	0.8
121.06450	0.8
123.08070	0.5
125.05956	0.6
130.27820	0.4
131.27858	0.5
147.04407	0.6
149.05984	7.3
150.03117	0.9
152.04684	1.5
159.08023	0.9
166.06288	1.0
167.07045	51.4
168.07384	2.4
171.04407	2.8
173.09628	1.0
178.02701	0.7
183.08058	1.9
193.03352	0.7
193.05005	9.5
194.05495	1.0
196.08705	0.5
211.11157	1.4
225.12843	0.5
229.12190	0.7
253.12303	9.4
254.12709	0.7
255.10205	1.7
297.11301	100.0
298.11618	10.6
551.24451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41685	0.2
55.01520	0.3
55.01756	1.5
57.03320	5.5
59.16965	0.2
68.99689	0.5
69.49054	1.6
79.01308	0.4
79.01756	6.8
79.05408	0.3
83.01265	1.0
87.04379	0.8
95.04869	0.3
99.08027	5.1
105.07076	0.2
109.02818	1.0
109.06458	0.2
121.06472	0.9
123.08038	0.7
125.05965	0.5
127.05396	0.3
131.04907	0.2
133.06403	0.3
141.06978	0.2
147.04376	0.8
149.05981	8.7
150.03114	0.9
150.06306	0.4
151.03934	0.3
152.04674	0.6
155.08589	0.3
159.08037	1.1
161.05956	0.6
162.06813	0.3
165.09116	1.9
166.06233	0.7
167.07042	18.7
168.07399	0.7
168.09074	0.2
171.04419	3.8
173.09628	1.5
178.02592	0.7
179.03389	0.3
183.08090	2.0
191.03365	0.4
193.04977	12.1
194.05441	0.9
194.34999	0.2
195.08101	0.3
196.08899	0.4
197.09679	0.5
200.08324	0.7
209.08112	4.9
209.10022	0.3
210.06654	0.3
210.08524	0.4
210.10338	0.3
211.11211	2.4
225.12761	0.4
229.12280	0.5
235.11028	0.3
237.09200	0.3
238.09879	0.4
253.12309	14.0
254.09248	0.2
254.12622	1.2
255.10257	2.2
256.10648	0.3
257.30847	0.2
282.08768	0.4
285.12714	0.3
297.11295	100.0
298.11630	10.3
357.11179	0.5
383.16550	0.6
401.17572	0.9
408.95047	0.2
427.15717	0.3
595.23370	3.2
596.23657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03321	0.9
65.17142	0.2
70.97511	0.5
79.01759	2.6
90.78017	0.2
99.08045	1.8
109.02848	0.3
115.05401	0.3
123.08030	0.3
125.05908	0.4
139.12598	0.2
141.07057	0.3
146.08224	0.2
149.05975	4.1
152.04691	0.7
166.06282	0.5
167.07045	10.7
168.07417	0.7
169.10120	0.3
171.04436	0.8
179.03419	0.7
183.08060	0.5
188.60153	0.2
193.04999	6.0
194.05748	1.0
196.08853	0.6
197.09579	0.4
210.10452	0.4
211.11209	12.8
212.11523	1.0
213.09137	0.8
229.12173	0.5
233.08157	0.7
240.07867	0.4
253.12337	2.3
255.10229	31.1
256.10516	3.3
269.11926	0.4
297.11292	100.0
298.11655	10.7
321.11230	0.6
339.12357	0.9
373.70679	0.2
383.16284	0.4
427.15607	0.3
577.22314	1.5
578.23077	0.4
595.23364	4.7
596.23474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2336
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
51.67486	0.1
55.01744	1.0
56.20469	0.1
57.03101	0.2
57.03327	2.0
59.66533	0.2
61.98689	0.2
68.99682	0.2
79.01759	12.1
79.05351	0.2
80.02109	0.3
87.04390	0.4
92.01239	0.1
99.08030	0.4
109.02818	0.9
111.04382	0.2
121.06482	0.4
123.08052	0.3
124.01415	0.2
125.03057	0.2
125.05970	0.6
137.02344	0.2
140.70349	0.2
147.04411	0.4
149.05980	12.9
150.03113	0.4
150.06332	0.5
151.00200	0.2
151.03867	0.3
155.08612	0.3
159.08102	0.5
161.05940	0.2
165.30521	0.2
166.06230	0.4
167.05656	0.2
167.07050	3.4
171.04420	1.4
173.06052	0.2
173.09618	0.5
177.01859	0.2
178.02629	0.4
179.03423	1.3
182.05722	0.2
183.08020	0.8
191.03320	0.3
193.04984	18.9
194.05524	1.7
196.08858	0.2
200.08353	0.5
211.11234	3.6
225.12907	0.3
226.04770	0.4
229.12343	0.3
253.12300	5.5
254.12631	0.5
255.10251	8.3
256.10553	0.7
279.23068	0.2
297.11304	100.0
298.11649	10.6
393.29932	0.2
410.74231	0.2
453.55713	0.2
595.23053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
57.03320	1.1
70.51080	0.7
70.51471	0.4
72.30546	0.2
77.94813	0.2
79.01753	3.0
83.01271	0.3
84.41135	0.2
98.20512	0.3
99.08032	2.0
109.02782	0.3
110.28009	0.2
125.05988	0.2
141.06975	0.7
147.04439	0.4
149.05975	4.0
150.06273	0.2
151.03841	0.3
152.04675	0.3
155.08575	0.3
166.06218	0.3
167.07043	12.2
168.07359	0.6
171.04405	0.8
178.02560	0.2
179.03412	0.7
183.08041	0.6
190.04161	0.2
193.04985	6.2
194.05611	0.9
195.08118	0.2
196.08873	0.8
209.08092	0.5
210.10435	0.3
211.11224	11.7
212.08372	0.3
212.11443	1.0
213.09132	0.8
219.06549	0.3
226.04698	0.2
229.12325	0.4
233.08170	0.4
240.07817	0.2
253.12288	2.8
254.12595	0.2
255.10234	33.6
256.10608	2.9
267.06625	0.3
269.11838	0.4
281.08371	0.3
297.11298	100.0
298.08261	0.5
298.11664	9.9
313.19385	0.2
339.12283	0.4
427.15485	0.3
487.96973	0.2
577.22552	1.2
595.23358	3.9
596.23840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03319	1.5
57.41136	0.2
61.98689	0.3
68.18387	0.3
69.14651	0.4
69.15053	2.4
79.01759	10.1
79.05405	0.3
87.04404	0.5
98.80090	0.2
99.08033	0.6
101.21634	0.2
109.02830	0.9
121.06470	0.6
125.06004	0.5
147.04485	0.3
149.05981	11.4
150.03058	0.4
150.06285	0.3
159.08035	0.5
161.06013	0.3
162.06671	0.3
166.06300	0.3
167.07059	4.7
171.04463	1.7
173.09630	0.4
178.02603	0.4
179.03419	1.0
183.08118	0.5
193.04985	17.1
194.05405	1.4
196.08818	0.3
200.08330	0.3
211.11226	3.7
229.12411	0.4
238.09688	0.3
253.12337	5.6
253.14975	0.4
254.12730	0.4
255.10226	9.7
256.10571	0.8
267.06995	0.3
297.11301	100.0
298.11649	9.7
427.15283	0.4
528.82629	0.3
585.58521	0.3
595.23010	0.7
596.23297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10421	0.2
55.01758	1.0
57.03057	0.3
57.03321	4.1
68.99673	0.8
69.99189	0.6
69.99583	0.3
70.24057	0.2
79.01308	0.4
79.01761	5.6
79.05398	0.3
81.03322	0.3
83.01249	4.2
87.04381	0.6
95.04897	0.4
97.02827	0.3
99.08031	3.7
101.03849	0.3
109.02847	0.6
115.05411	0.3
121.06452	0.7
123.04404	1.7
123.08034	0.3
125.05954	0.4
131.04906	0.2
137.05981	0.3
141.07014	0.3
147.04410	0.5
149.04872	0.4
149.05980	5.8
150.03094	0.6
150.06299	0.3
150.73085	0.2
152.04672	0.3
155.08534	0.4
159.08032	0.9
161.05902	0.2
162.06750	0.4
165.05481	1.9
165.09135	1.0
166.06183	0.7
167.03423	1.1
167.07043	18.3
168.07394	0.8
171.04422	5.5
172.04758	0.3
173.09628	0.6
177.80949	0.2
178.02628	0.6
183.08060	1.3
191.03360	0.4
193.04984	9.3
194.05524	0.4
195.07950	0.2
196.08798	0.4
197.09590	0.3
200.08296	0.6
203.07007	0.4
206.05676	0.3
209.04483	4.4
209.08057	3.9
209.09811	0.3
210.04863	0.4
210.08533	0.3
211.11253	2.3
225.12762	0.4
228.91624	0.2
229.12289	0.3
235.11160	0.3
236.32675	0.2
247.06076	0.3
253.12314	9.3
254.12598	0.6
255.10258	3.1
255.35776	0.2
297.11282	100.0
298.11612	8.6
339.12286	0.3
357.11310	0.4
383.16489	0.9
401.17648	0.8
427.15457	1.7
595.23364	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55291	1.5
70.98396	4.0
71.01244	3.1
79.01752	2.0
79.97204	1.6
81.03329	2.5
83.01242	3.9
93.03355	7.9
95.04951	1.8
97.02836	6.5
107.01276	12.1
107.04855	3.0
109.02866	5.4
111.04390	1.7
117.03347	2.0
119.04913	53.9
120.05293	1.6
121.02843	6.7
123.00745	3.0
123.04425	4.6
125.02340	11.9
133.02821	2.0
135.04431	3.9
137.02322	6.7
139.03931	9.3
143.04953	7.9
145.02808	8.5
147.04402	5.5
149.02324	6.0
149.06033	1.9
151.00259	4.4
151.03877	4.3
161.06006	3.3
162.03084	2.4
163.00273	6.0
163.03912	7.3
165.01894	8.3
165.05437	2.2
167.03424	14.7
175.04001	1.8
177.01877	8.1
179.03380	4.7
181.05136	1.9
187.03998	8.7
191.03432	4.6
193.01363	18.8
197.04451	4.7
199.07599	3.0
205.01360	10.4
205.05075	2.3
207.02939	7.4
209.04509	5.9
219.02916	4.8
221.04527	1.8
223.02477	2.6
227.07057	4.3
233.04459	1.8
235.02432	18.0
239.05470	2.3
241.08653	2.2
247.02538	2.3
249.04021	2.0
261.04001	4.0
265.03589	9.1
267.06659	2.5
271.06119	6.8
283.06180	2.6
313.07178	21.7
325.07202	8.9
326.07712	2.6
339.08545	3.0
343.08200	8.6
355.08237	100.0
356.08585	12.2
367.08203	6.6
369.09625	2.8
385.09293	69.9
386.09628	9.2
397.09210	4.9
412.76453	2.0
415.10248	21.7
416.10593	3.3
427.10507	2.3
457.11566	8.5
475.12512	27.2
476.12640	5.0
487.12479	4.1
505.13626	7.7
577.15454	3.9
595.16681	61.5
596.17102	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	595.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67470	0.6
59.01252	1.2
59.29893	0.5
60.37161	0.4
60.99154	0.6
61.98699	9.8
63.02286	0.7
65.00202	0.6
71.50729	0.7
74.02341	0.6
83.01250	0.5
87.00728	0.6
88.98669	4.2
89.02319	1.0
91.19441	0.4
93.03325	2.9
96.95905	1.1
107.01270	2.7
109.02831	1.1
112.92619	0.4
117.03339	1.4
119.04907	4.7
121.02838	16.7
122.03186	0.7
123.00739	0.6
125.02334	2.0
132.02074	0.8
135.00764	1.6
137.02324	0.8
143.04967	0.9
145.02847	6.5
151.00269	3.4
153.01752	1.0
157.06494	1.1
158.03613	0.7
159.04428	1.6
161.05936	0.5
163.00266	3.3
163.03943	2.6
167.04855	0.6
169.01410	0.7
169.06473	1.1
171.04362	1.1
178.99728	1.1
185.06050	2.4
186.84541	0.5
187.03954	3.8
189.05492	1.3
197.05916	1.2
199.03986	1.2
203.03419	0.8
211.03986	2.5
213.05492	2.9
214.02516	0.7
214.05687	0.4
227.03438	21.8
228.03873	2.1
229.05013	13.6
230.05273	0.8
231.02946	0.6
239.03473	2.0
240.04120	0.8
241.04974	1.6
243.02859	0.7
255.02960	35.7
256.03534	4.8
257.04486	8.1
259.02539	0.6
267.03052	1.2
271.02551	1.7
275.01889	3.0
283.02487	0.6
284.03253	45.7
285.04016	100.0
286.04349	8.7
287.01965	1.2
291.08719	1.8
303.01428	1.3
316.02246	4.5
317.02893	0.9
413.09140	0.6
424.61972	0.5
431.09955	3.9
449.07309	0.5
473.10840	33.8
474.11255	5.1
501.10391	1.6
502.11456	0.5
577.13495	31.4
578.13776	5.4
595.11743	2.4
595.31879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00743	0.3
52.44327	0.3
61.98706	2.2
63.02264	1.3
65.00194	2.5
70.93247	0.6
83.01258	1.7
91.01791	0.7
93.03336	0.6
95.01235	0.3
98.66034	0.3
107.01278	5.1
108.02093	1.7
109.02837	3.3
112.55063	0.3
116.15306	0.3
119.01265	0.7
121.02848	4.0
125.02350	0.8
130.90959	0.3
135.00757	1.4
136.01508	0.3
137.02373	0.4
139.03886	0.3
147.00764	0.5
148.01534	1.6
151.00270	19.1
152.00691	0.7
153.01868	0.6
159.04398	0.7
161.02362	0.4
163.00281	4.6
163.03905	0.3
164.01044	1.0
169.01334	1.1
171.04443	0.4
175.03931	0.5
178.99782	10.4
180.00177	0.6
183.04420	0.8
185.06123	0.4
187.03914	0.9
190.99898	0.7
192.00586	0.7
199.03944	1.2
201.01997	0.4
201.05542	0.8
203.03404	0.5
211.03958	2.4
213.01839	0.6
215.03400	1.1
216.04195	0.4
226.02628	1.9
227.03473	4.7
228.04073	0.7
229.01413	0.3
229.05031	1.5
239.03517	0.6
243.02951	11.7
244.03406	1.2
245.04486	2.3
254.02216	2.6
255.02959	32.4
256.03366	2.6
257.04568	0.7
266.02332	0.5
271.02469	66.4
272.02902	6.8
273.03918	1.9
283.02509	2.8
294.94504	0.3
299.02011	1.9
300.02737	100.0
301.03461	58.5
302.03836	4.3
343.04364	0.5
429.08109	0.7
447.09320	3.6
448.09714	0.5
539.21606	0.3
595.14551	90.6
596.14886	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	594.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51500	0.8
56.44253	0.9
61.98389	1.3
61.98701	25.9
63.02257	1.3
65.00195	2.1
71.13424	1.2
74.82312	1.1
79.06889	0.8
83.01247	2.9
90.95158	1.0
98.41302	0.7
101.24454	1.0
107.01263	4.3
108.01474	1.2
108.02127	1.4
109.02827	2.4
119.04930	2.5
120.05276	1.8
121.02853	4.4
122.03152	1.0
124.42274	0.8
125.02313	1.2
128.94235	0.9
145.02844	2.7
148.01521	1.5
149.01945	1.3
150.03169	0.9
151.00250	18.8
152.00595	5.7
163.00272	4.5
164.00810	1.8
165.05424	1.2
169.01257	1.9
178.99777	8.4
180.00096	3.1
211.03943	1.2
212.04286	1.6
215.03375	1.8
216.03973	0.9
226.02580	1.6
227.03438	4.9
228.03822	2.5
243.02966	12.9
244.03355	6.8
245.04671	1.6
254.02139	2.6
255.02950	29.2
256.03311	17.0
271.02472	61.8
272.02814	35.4
273.03198	3.0
284.03162	1.0
299.01865	4.5
300.02728	100.0
301.03229	82.0
302.03806	30.1
303.04053	2.1
311.26685	1.0
369.05807	1.4
447.09378	16.7
448.09698	32.4
449.09726	3.8
531.11420	25.8
532.11786	4.6
534.49878	0.9
545.67419	1.0
593.12823	2.1
594.13312	60.2
595.13873	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	595.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60272	2.7
58.61638	2.9
59.01248	6.8
61.98706	15.0
71.50728	5.6
88.98680	8.6
96.95898	10.5
103.58151	2.5
108.77545	2.6
110.73278	2.6
112.98457	2.9
113.93817	2.8
125.02351	11.6
137.02341	3.6
145.05321	2.7
177.01804	4.4
193.01347	4.0
214.02711	2.9
219.74255	2.7
229.62856	3.3
242.02223	4.4
259.02496	6.6
268.83752	3.1
271.02417	30.7
287.02008	27.0
288.02496	4.0
315.01312	8.4
316.02243	100.0
317.02612	12.2
343.12057	3.2
373.16721	6.8
505.09854	82.0
506.09995	8.7
535.56421	3.6
594.32910	3.2
595.29169	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	593.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38345	1.9
51.25562	1.9
61.98694	4.3
71.04896	3.5
98.19758	3.9
99.04385	1.7
106.93243	1.6
121.02821	3.9
146.08099	8.3
151.00209	1.5
166.00847	2.2
177.03757	2.6
183.06610	2.0
187.28441	1.7
199.03925	2.1
203.05281	15.7
204.05963	3.6
205.03323	1.7
209.04536	3.8
213.05490	6.5
214.06306	1.9
217.03192	2.0
217.11836	2.5
219.04771	4.8
220.05524	7.6
229.96320	2.6
247.04282	17.5
248.04964	5.2
273.13220	2.1
283.13309	17.5
284.13934	3.4
285.14948	2.1
288.12027	2.5
289.12735	2.3
295.06073	5.1
297.11307	7.1
316.11282	11.6
317.12128	98.2
318.12518	8.2
360.16418	1.9
383.16376	2.5
421.63977	1.7
487.17352	1.9
561.26367	100.0
562.26654	13.7
593.21771	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	593.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23035	0.3
55.01758	9.3
57.03324	0.9
57.64027	0.3
59.01247	5.2
61.98695	2.6
63.24457	0.3
65.00182	0.7
67.01749	0.3
69.03313	0.5
69.37882	0.2
71.01250	0.4
71.48943	0.5
79.95621	0.4
80.96391	1.3
83.01276	0.3
85.02822	1.7
85.06465	0.6
87.04392	0.3
87.78165	0.3
94.39276	0.3
94.97955	0.3
95.01297	0.4
95.04894	0.9
97.02837	0.5
97.06478	1.6
99.00753	1.9
99.04391	8.7
99.08031	1.2
102.37393	0.3
108.02036	0.8
109.02847	0.3
111.00769	1.8
111.04420	1.3
113.02338	3.2
113.05967	5.3
115.05429	0.3
117.03365	0.5
117.07027	0.3
119.04877	0.3
121.02840	39.3
122.03117	1.7
123.04408	1.1
124.01572	0.4
125.02346	0.6
125.05926	0.3
127.05404	0.4
137.02324	0.3
137.05975	2.3
139.00293	1.3
139.03909	7.8
139.07549	2.4
140.04251	0.4
141.05469	29.1
142.05811	0.6
145.02832	1.6
147.49113	0.3
149.06021	0.6
151.03938	0.7
152.04671	0.5
156.33147	0.3
163.03886	1.8
165.01846	2.0
165.05507	1.8
166.06296	1.9
167.03403	0.7
167.04904	0.5
167.05516	0.3
167.07047	7.1
171.04475	0.5
173.05998	0.5
180.05766	0.3
181.05023	0.4
181.06496	1.2
183.06549	29.7
184.05341	0.4
184.06859	1.7
189.05576	0.4
191.03477	0.7
192.04022	0.3
193.04955	0.6
195.04445	0.5
196.08908	0.4
197.05978	1.2
199.07602	0.5
207.04520	0.3
207.08105	0.7
207.11423	0.3
209.04488	22.2
209.09760	0.6
209.11652	0.4
210.04890	1.4
210.06535	0.3
211.11203	4.8
212.08308	0.3
213.05577	0.5
213.09041	0.4
217.10115	0.6
219.08156	0.3
221.05820	0.3
221.09467	0.3
223.07587	0.7
225.05528	1.0
227.10603	0.4
228.07893	0.4
231.11659	0.5
233.09644	1.2
234.09964	0.3
235.07579	0.8
235.11317	0.5
236.08177	0.4
237.09123	0.7
239.10590	0.5
240.07745	0.3
241.08560	0.4
247.11279	0.8
249.09132	0.5
250.09872	0.6
251.07068	1.2
251.10689	1.1
252.07852	0.7
253.08655	1.1
255.10234	9.0
256.10675	0.5
257.09558	0.9
259.11304	1.6
261.09091	0.3
263.07089	0.6
265.08618	2.0
265.11798	0.5
266.09338	0.3
267.06366	0.3
267.10153	2.1
271.02542	0.4
271.09683	0.5
275.10745	0.5
277.08670	1.8
277.12103	0.6
278.09360	0.9
279.06619	0.6
279.10196	1.0
281.13315	0.4
289.08578	0.4
291.06894	0.3
291.10138	0.8
293.11819	1.0
294.08984	0.9
295.09732	7.0
296.09988	0.4
298.09726	0.3
299.14673	0.6
300.02902	0.6
301.03424	0.6
305.08231	0.4
305.11880	0.3
306.08844	0.8
306.12445	0.4
313.07211	0.6
313.12247	0.5
319.09683	1.0
321.11157	1.8
323.14120	0.4
324.15131	0.9
325.12079	0.3
327.13693	0.3
337.10809	3.7
338.11102	0.5
339.13681	0.4
339.17474	3.6
345.11353	0.4
351.13794	0.8
353.11823	1.3
355.17172	0.6
357.06296	0.6
359.09161	3.1
360.09439	0.7
363.13632	0.4
367.13400	1.3
368.14090	4.0
369.14618	0.4
383.16510	29.3
384.16910	4.1
385.18051	1.0
407.16467	0.6
409.14218	0.4
410.15152	0.8
411.15674	0.3
417.09695	0.4
419.16357	0.6
427.11270	0.4
431.24152	0.6
433.17810	0.6
436.12900	0.3
441.13348	0.6
442.14355	0.5
451.15479	13.7
452.15738	2.1
455.15103	0.4
463.44461	0.3
489.15179	1.9
489.21518	0.4
490.15863	0.4
493.20154	0.8
505.11267	1.1
505.19968	0.3
507.21838	0.3
515.18164	0.5
531.21844	0.5
533.19696	5.3
534.19800	1.0
549.10333	2.4
549.23102	0.5
550.10358	0.4
551.20740	1.2
552.20941	0.4
575.20612	1.9
593.13599	5.1
593.21692	100.0
594.13605	1.2
594.22028	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40535	0.6
53.12154	0.6
53.86518	0.5
55.01521	0.9
55.01758	9.3
57.03313	1.0
57.20943	0.6
58.29135	0.5
58.64591	0.6
59.01245	4.7
61.98703	10.0
71.48936	1.0
76.89127	0.5
78.79896	0.5
78.95786	0.7
80.96371	2.1
82.57098	0.6
84.34425	0.5
85.02859	1.5
85.06481	0.6
95.04916	1.1
97.06451	1.8
99.00746	1.4
99.04395	7.7
99.08032	0.8
108.02045	0.7
108.23747	0.5
109.02925	0.6
111.00742	1.2
111.04394	1.1
113.02322	2.8
113.05975	4.9
122.03565	0.7
123.04365	1.0
125.02340	1.4
137.05936	1.5
139.00285	1.0
139.03896	7.2
139.07518	1.8
141.05478	28.3
142.05789	1.1
145.02803	1.5
151.03969	0.8
163.03943	0.9
165.05557	1.2
166.06218	2.6
167.04932	0.8
167.07083	6.5
183.06561	26.4
184.06874	1.1
193.05034	0.7
199.07649	0.6
209.11795	5.0
211.11264	4.8
213.05623	0.6
233.09666	1.1
237.08954	0.7
239.10696	0.7
251.07187	1.2
252.07832	0.9
253.08592	0.6
255.10219	10.2
259.11133	1.1
263.10529	0.6
265.08667	1.6
267.10104	1.2
271.02640	1.0
271.09778	0.6
277.08719	2.1
279.06610	0.9
286.51993	0.6
291.10062	1.1
293.11920	1.5
294.08670	0.8
295.09634	4.8
300.02750	1.9
301.03281	1.5
306.08841	0.9
319.09695	1.5
321.11270	2.1
324.14990	1.2
337.10834	2.6
339.17517	3.2
353.11691	1.7
359.09241	4.2
368.14224	4.4
383.16516	23.8
384.16937	2.8
441.13232	0.9
451.15485	13.0
452.16016	1.3
455.15073	0.9
489.15384	2.6
520.95416	0.7
533.19556	4.4
534.19855	0.9
575.20612	2.1
593.21692	100.0
594.21991	20.5
609.78864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.3
61.67205	0.9
61.86968	1.0
61.98700	12.3
63.02279	1.8
65.00178	1.4
70.99191	1.0
71.01254	1.4
71.50457	1.7
71.88385	1.3
72.99188	1.5
75.00746	32.4
83.01246	1.8
96.95904	4.3
96.96546	0.9
101.02315	1.3
102.11991	0.9
107.01266	4.6
108.02138	1.1
109.02816	2.2
119.04871	2.4
121.02835	4.7
125.02316	3.8
134.04871	0.9
145.02849	4.6
147.00891	1.0
149.02336	1.6
151.00275	21.0
163.00240	3.4
163.03827	1.4
169.01357	4.3
171.10165	1.2
175.04028	1.3
177.01859	1.1
178.99745	10.3
180.57991	1.0
195.65887	1.4
199.03897	1.2
211.03967	2.0
226.02826	1.4
227.03430	3.6
229.04895	1.5
243.02960	12.1
244.03360	1.7
245.04532	2.3
254.02258	3.0
254.08011	1.1
255.02962	27.7
256.03403	3.1
271.02469	61.3
272.02914	7.5
283.02542	2.6
299.01987	2.5
300.02725	100.0
301.03470	67.6
302.03909	6.2
313.03876	1.1
316.02362	5.2
317.02826	2.2
407.11728	1.3
447.09311	53.4
448.09760	6.3
463.08936	5.9
593.13007	59.9
594.13403	11.3
619.24792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71819	0.4
60.47150	0.3
61.98702	0.7
63.02261	1.2
65.00191	2.3
70.82813	0.7
70.83148	0.4
83.01271	1.2
93.03324	0.5
105.80421	0.4
107.01279	4.7
108.02064	1.5
109.02846	2.1
117.03335	1.1
119.01259	0.5
119.04901	2.6
121.02834	3.7
125.02357	0.4
135.00752	1.2
139.03885	0.4
145.02869	4.3
147.00841	0.6
148.01575	1.8
150.53383	0.4
151.00285	18.6
152.00723	0.7
153.01851	0.4
157.06320	0.4
159.04393	0.6
161.02359	0.6
163.00269	3.9
163.03912	1.7
164.01024	0.9
169.01308	0.9
171.04428	0.6
178.99777	11.2
183.04442	1.1
185.02261	0.4
187.03917	0.8
190.99821	0.5
192.00583	0.6
193.01343	0.4
199.03943	1.3
200.04504	0.4
201.05498	0.8
203.03516	0.4
205.04970	0.4
208.89450	0.4
211.03923	1.5
215.03410	0.9
226.02661	1.2
227.03433	3.7
229.05003	1.2
239.03410	0.5
243.02992	11.1
244.03461	1.2
245.04579	2.3
254.02206	1.3
255.02977	29.8
256.03311	2.7
271.02478	58.5
272.02890	5.6
273.03995	1.7
283.02402	2.4
299.02020	1.6
300.02744	100.0
301.03485	62.1
302.03870	3.7
352.75244	0.4
364.96457	0.4
429.08243	0.4
447.09317	49.5
448.09628	6.7
531.11255	0.6
593.13007	64.5
594.13361	12.8
594.20673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.261
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.38666	0.7
71.08669	0.7
71.33176	1.2
75.19388	0.8
109.66998	0.7
111.80449	0.7
128.28903	0.7
443.22629	2.6
445.19519	1.3
447.25504	0.8
456.22852	1.7
458.20883	0.9
459.21896	3.2
469.25049	0.7
471.25540	2.3
472.22839	2.2
473.23611	1.1
482.21225	2.1
485.19955	1.6
487.25565	3.9
497.23590	2.9
499.21558	4.2
500.22165	13.3
501.22415	1.9
513.23248	1.8
515.24530	100.0
516.24854	19.2
519.23657	1.0
559.23328	3.7
560.24030	1.1
613.13074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10188	0.2
61.98702	0.4
63.02256	1.8
65.00186	2.6
71.01237	0.2
81.03310	0.2
83.01256	2.0
91.01774	0.3
93.03344	0.7
98.19782	0.4
99.62128	0.2
107.00537	0.3
107.01269	6.1
108.02086	1.6
109.02155	0.3
109.02842	3.0
113.04617	0.2
117.03373	1.4
118.47218	0.2
119.01283	0.5
119.04919	3.3
121.02847	4.3
123.00777	0.2
124.01531	0.6
125.02351	0.6
135.00775	1.5
139.03915	0.3
143.04875	0.2
145.02847	4.5
146.03346	0.2
147.00758	0.3
148.01552	1.9
149.02307	0.7
151.00269	20.5
152.00670	0.6
153.01843	0.4
159.04317	0.5
161.02361	0.3
163.00276	4.1
163.03888	1.4
164.01012	0.9
167.04924	0.4
169.01370	1.3
171.04439	0.3
173.06029	0.4
174.03174	0.3
175.03964	0.4
178.99779	10.0
180.00148	0.4
183.04410	0.9
185.05850	0.3
187.03929	0.8
190.99808	0.6
192.00575	0.7
193.01257	0.5
195.04494	0.2
198.03160	0.4
199.03868	1.3
200.04517	0.3
201.01865	0.2
201.05499	0.8
202.02655	0.2
203.03416	0.6
205.04933	0.2
211.03964	1.7
212.04492	0.2
213.05391	0.3
215.03540	1.0
216.04227	0.9
226.02612	2.0
227.03438	4.3
228.04054	0.6
229.01323	0.3
229.04950	1.3
229.70711	0.2
239.03448	0.7
243.02933	12.3
244.03477	1.3
245.04477	2.6
254.02187	2.1
255.02960	32.2
256.03375	2.5
257.04617	0.5
271.02460	63.0
272.02905	7.1
273.04001	1.9
283.02417	2.0
291.08890	0.3
299.02017	1.9
300.02719	100.0
301.03452	59.8
302.03860	4.8
316.02054	0.2
343.04547	0.3
429.08127	0.5
447.09274	45.2
448.09573	5.8
463.08813	0.3
531.11334	0.7
533.29645	0.3
593.12970	49.4
594.13281	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	591.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.3
59.01237	2.8
61.98706	7.9
65.00186	1.7
71.01260	1.4
71.49721	0.8
72.49344	1.0
79.01649	0.8
83.01250	1.1
89.02321	1.4
97.02811	0.9
101.02298	1.4
107.01260	3.6
108.02040	1.5
109.02798	2.8
116.53013	0.8
121.02805	3.1
125.02338	9.8
135.00797	1.1
137.02260	1.3
140.97633	0.9
148.01561	1.4
149.02295	1.1
151.00270	17.0
159.04306	0.9
161.02342	1.4
163.00238	3.4
163.03908	1.9
169.01332	7.9
169.85583	1.0
177.01860	1.5
178.99779	8.6
187.03888	0.9
192.00389	1.0
201.05402	1.1
203.03456	0.9
211.03905	2.1
227.03409	2.4
243.02956	9.1
244.03416	0.9
245.04495	2.3
254.02254	1.3
255.02971	20.2
256.03293	1.5
271.02469	45.6
272.03040	5.1
283.02521	2.0
299.02017	1.4
300.02740	100.0
301.03467	58.1
302.03995	4.7
316.02267	1.0
337.95935	0.9
343.18628	0.9
439.06628	1.4
447.09277	47.4
448.09610	6.1
473.60934	1.0
489.10370	41.9
490.10669	6.4
529.13446	13.8
530.13940	1.9
531.27594	1.6
591.13446	33.0
592.13654	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	589.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99630	0.2
57.03313	0.6
59.01254	0.4
61.98693	0.5
65.03815	0.4
67.01751	0.7
68.99680	0.3
69.03319	1.5
69.28278	2.1
72.62434	0.3
79.01765	0.3
81.03328	0.8
82.24581	0.2
83.01250	1.2
93.03338	2.5
95.01254	0.7
97.02813	1.6
105.03321	0.9
107.01252	0.3
107.04879	0.6
109.02806	1.6
111.00723	0.3
119.04906	2.7
121.02821	0.6
123.00776	1.1
124.01550	1.6
125.02329	62.3
126.02659	2.0
137.02344	4.7
139.03912	1.0
149.02312	1.3
151.03899	4.3
160.01408	0.3
161.02335	6.0
163.03908	0.8
164.01097	0.4
165.01852	1.1
166.02621	0.3
166.99709	0.6
167.03413	1.6
168.00514	0.6
169.01328	100.0
170.01674	3.6
175.03923	0.3
177.01875	1.2
177.05516	0.7
178.13309	0.3
179.03369	0.6
191.03426	0.5
193.01346	4.4
195.06549	0.3
199.04007	0.3
201.02051	0.2
203.03375	0.5
209.11703	0.4
219.06509	0.5
221.04604	0.4
231.06590	1.3
257.08154	3.3
258.08514	0.4
269.04611	0.3
269.08096	0.6
273.07654	1.0
281.04507	0.8
287.05679	0.5
297.07376	0.4
299.05621	0.5
305.06671	1.9
317.06699	2.2
319.04794	0.6
419.11307	1.1
437.12271	3.2
438.12708	0.4
463.10440	1.6
529.26563	0.3
567.97223	0.3
589.13593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	7.5
61.98706	11.9
65.00197	2.3
67.01772	3.5
69.50785	2.1
71.01255	9.5
71.20895	4.2
72.99186	2.0
79.95551	2.1
81.03345	4.3
83.01250	4.2
84.35668	2.5
84.93780	2.9
88.19323	2.3
88.98689	2.9
89.02341	4.2
91.01789	2.6
92.82783	2.1
93.03332	2.2
95.01255	9.1
96.95870	18.7
101.02329	3.7
107.01278	8.3
109.02860	4.7
111.00771	27.1
121.02845	3.6
122.03616	8.6
123.00780	23.7
123.04414	12.0
125.02338	70.9
136.97583	1.9
137.02342	9.0
138.03133	42.2
139.00267	48.3
140.01051	2.9
141.01926	2.6
149.02356	6.5
150.03159	10.9
151.00290	8.8
151.03888	3.8
161.02342	2.9
162.71497	2.4
164.84940	2.5
165.05460	14.3
166.06261	3.5
166.99779	88.1
167.03438	3.2
168.00529	7.7
169.01340	81.5
169.06438	2.5
170.02083	8.5
171.08118	3.7
171.10277	2.4
177.01820	4.9
181.01392	3.7
181.08722	2.2
185.00850	17.6
185.05838	2.9
193.01361	3.0
194.99326	2.4
195.06534	5.4
211.02449	5.6
211.07600	3.2
213.09145	74.9
214.09471	4.2
227.07118	9.1
228.07396	2.5
229.08652	100.0
230.09024	8.4
239.07132	7.9
255.06595	14.7
257.08231	6.2
271.04633	5.5
273.07712	5.7
300.02875	3.1
313.05640	27.4
391.14178	11.7
405.23618	2.5
419.13498	66.7
419.19098	4.4
420.13770	7.9
435.12933	9.0
456.92749	2.2
498.26453	2.6
525.13885	6.5
543.15057	91.2
544.15259	14.4
569.13275	8.1
587.14105	74.0
588.13837	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	3.7
62.17958	0.4
70.53458	1.6
85.16789	0.4
93.03317	3.8
95.04917	0.6
96.95897	2.0
105.03373	0.8
107.29842	0.4
112.31212	0.4
121.02834	6.0
122.03629	12.8
122.04457	0.9
123.04423	0.9
124.01606	0.5
125.02361	1.0
132.02124	0.8
133.02847	1.6
134.03647	0.6
135.04472	0.8
136.01564	1.0
137.02333	0.9
148.01538	0.6
149.01094	0.8
149.02347	36.3
150.03128	94.8
151.03473	4.7
160.01588	0.6
161.02376	0.8
164.04715	8.0
165.05481	100.0
166.05824	6.7
169.01465	0.6
179.07043	1.3
180.04213	6.3
186.15938	0.4
195.06551	66.1
196.06924	4.0
202.65948	0.4
207.06599	0.5
211.07590	0.5
223.09738	0.7
242.09491	0.8
270.08954	1.6
271.09372	0.5
274.07175	0.5
282.08856	0.5
283.09772	1.1
285.11276	1.7
286.08398	0.9
296.06808	0.5
297.11209	0.6
298.08481	1.5
298.11539	0.4
299.09152	1.8
299.12616	0.8
311.09232	1.0
313.10730	1.5
314.07996	2.1
325.10684	1.2
326.07928	1.0
326.11505	1.1
327.12302	3.9
328.13101	8.0
329.10229	4.9
329.13684	0.9
330.10910	2.0
341.10269	7.1
341.14081	0.4
342.10410	0.7
343.11621	0.7
343.15393	2.1
344.12634	6.7
345.13245	2.4
356.12558	3.1
357.13019	0.7
358.13916	0.4
359.14972	24.0
360.15308	3.1
371.14944	16.6
372.15405	2.4
408.63647	0.5
461.16031	1.3
463.17529	1.3
480.29733	0.5
492.17871	1.1
507.13354	0.8
507.20215	9.2
508.20453	1.5
519.19983	1.5
537.21277	52.8
538.21527	8.7
585.24139	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	585.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33923	0.3
51.27108	0.3
57.03328	0.3
61.98702	7.4
70.44402	0.6
71.01279	0.4
71.85049	0.3
80.07657	0.3
80.96882	0.3
93.03333	2.8
95.01254	0.4
95.04892	0.5
97.63170	0.3
105.03343	0.5
121.02837	3.8
121.08890	0.3
122.03624	13.4
123.00780	0.5
123.03902	0.5
124.01633	0.5
125.02336	5.8
133.02794	1.6
135.04399	0.8
136.01552	1.7
137.02359	0.5
149.02339	18.0
150.03122	87.0
151.00304	0.4
151.03436	4.4
155.17595	0.3
160.01523	0.4
164.01094	0.4
164.04680	3.0
165.05473	100.0
166.05782	6.3
167.03476	0.4
169.01332	5.3
179.07021	0.5
180.04193	6.6
181.04750	0.7
195.06546	67.7
196.06888	4.9
222.08904	0.3
240.07826	0.3
242.09407	0.8
270.08972	1.6
271.09348	0.4
272.79190	0.4
282.08734	0.5
283.09613	0.4
284.06790	0.4
285.11395	1.3
286.08432	0.6
298.08279	1.1
299.09152	1.5
299.12744	0.4
311.09149	0.5
313.10791	0.9
314.08032	1.7
316.02081	0.6
317.02368	0.6
318.02917	0.4
324.09967	0.4
325.10626	1.5
326.08026	0.9
327.12256	0.5
329.10269	5.1
330.10660	0.6
340.12769	0.5
341.10260	6.0
341.14157	0.4
342.10678	0.9
344.12604	5.8
345.13071	1.0
355.11920	0.4
356.12457	2.6
358.13217	0.3
359.14960	16.7
360.15311	2.1
369.13351	0.5
371.14954	14.4
372.15189	1.5
415.13770	0.5
507.19769	0.6
537.21216	1.2
585.23553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	31.7
59.16355	16.5
61.98716	80.2
67.66325	13.3
70.00202	14.9
70.63370	40.6
71.01257	24.4
81.55506	13.1
87.00778	14.9
88.64219	14.8
89.02310	19.0
99.40263	12.7
101.02348	20.0
101.06626	12.6
103.04078	12.4
121.02821	21.4
122.97365	14.1
125.02349	22.5
145.72150	13.0
165.05475	24.8
169.01295	20.2
185.11813	17.6
328.98514	14.6
333.00497	18.4
361.16528	60.4
523.22015	100.0
583.19214	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10681	0.2
55.01750	0.8
57.03323	1.9
64.54130	0.2
71.49024	0.2
71.49435	0.2
73.02834	0.2
75.44592	0.2
80.96349	0.3
92.03763	0.2
97.02824	1.6
98.22346	0.2
99.08034	18.1
100.08389	0.7
105.97572	0.2
123.08092	0.3
125.05986	0.6
137.05965	0.3
138.03110	0.2
142.96021	0.2
149.06021	0.2
152.04691	3.6
165.09108	0.2
167.07050	100.0
168.07391	4.7
179.03488	0.5
194.05804	0.6
209.08136	0.5
218.04855	0.2
235.77225	0.2
239.10698	0.3
257.08286	0.4
265.08463	0.2
267.10233	2.1
268.10489	0.3
285.07800	1.2
285.14996	0.6
297.11508	0.4
299.12854	0.2
415.19104	3.7
416.19403	0.4
499.28714	0.3
509.33740	0.2
551.24133	0.4
553.25745	0.2
565.25940	1.6
566.26892	0.2
583.27057	3.3
584.27399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0883
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
52.85341	0.2
55.35996	0.2
55.45032	0.2
61.98699	0.4
63.02263	2.3
65.00190	5.2
67.00674	0.2
71.08192	0.3
78.04019	0.2
83.01252	3.4
93.03323	1.5
95.01247	0.2
107.01264	10.4
109.02832	1.8
121.02841	9.1
122.03191	0.4
123.00778	0.3
125.02369	0.9
135.00732	0.3
137.02377	0.3
139.03902	0.7
147.04350	0.2
148.01588	0.3
149.02338	1.0
151.00270	36.1
152.00565	1.4
157.06535	0.3
159.04410	0.5
161.02365	0.5
163.00267	1.8
163.03915	0.3
164.01004	0.6
165.01839	0.2
167.04941	0.3
169.01372	2.4
169.02681	0.4
171.04375	0.3
175.03935	0.6
178.99774	17.1
180.00142	0.8
183.04395	0.4
185.05945	0.3
187.03853	0.3
192.00510	0.4
193.01329	0.9
199.03960	0.3
201.05502	0.8
203.03418	0.4
205.04991	0.2
211.03957	0.8
227.03459	0.9
229.05016	1.3
230.02303	0.2
239.03426	0.3
240.04242	0.3
243.03069	0.3
243.06123	0.2
245.04437	1.4
255.02962	1.6
256.03439	0.6
257.04501	0.6
271.02493	0.6
272.03079	0.3
273.04022	2.2
283.02054	0.4
283.04657	0.8
299.01984	0.4
300.02664	1.0
301.03516	100.0
302.03860	9.7
433.07565	0.4
470.35861	0.2
585.08960	2.6
586.09149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2186
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
51.13659	0.6
56.66634	0.6
59.01261	0.7
61.98695	6.5
67.01755	1.4
68.99686	19.4
69.25634	1.2
69.26039	4.8
71.01252	0.7
81.03333	0.8
95.01258	1.0
107.01269	0.7
108.02053	27.1
109.02882	5.8
117.03366	1.7
121.02839	1.8
122.03632	4.2
123.00772	13.9
123.04404	29.0
123.39067	0.5
124.04753	1.4
125.02355	4.3
131.51779	0.6
132.02066	5.2
133.02856	2.8
134.03613	1.1
135.04466	0.9
136.01558	0.6
137.02347	1.0
138.03130	45.3
139.03532	1.5
147.04376	2.1
148.01564	2.3
149.02335	1.2
150.03125	15.8
151.03838	1.1
153.05519	1.3
160.01576	2.4
161.02357	12.5
162.03137	30.7
163.03909	13.5
164.01079	1.1
164.04344	1.0
165.05504	3.0
167.03403	1.3
169.01323	1.8
175.03964	0.9
177.05490	47.3
178.02634	39.3
178.05858	3.2
179.03392	5.3
193.04990	100.0
194.05373	8.3
195.06639	1.0
209.08122	0.8
242.09462	1.0
253.09267	0.7
268.07251	0.7
270.08994	1.9
284.07080	1.2
285.11328	2.8
295.09668	0.6
298.08499	2.0
299.09244	2.5
301.10809	0.7
305.05942	0.7
310.08301	0.7
311.09106	1.6
313.10553	1.0
314.08035	3.1
325.10699	1.4
326.07898	0.9
326.11496	1.1
329.10281	6.8
330.10526	1.2
341.10248	8.1
342.10797	1.2
343.11914	1.2
344.12616	10.9
345.13022	1.1
356.12698	4.3
357.13138	0.8
358.13782	0.8
359.14966	17.5
360.15271	1.3
371.15009	7.7
372.15198	1.0
396.39447	0.6
553.20746	1.1
577.26709	0.7
583.21771	45.9
584.22125	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	583.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.1
61.98698	13.3
67.64282	0.4
71.01256	0.9
71.21445	0.5
71.21774	0.7
81.07397	0.4
88.98668	0.6
89.02332	0.9
90.32272	0.4
93.03326	4.3
93.68557	0.4
107.01250	0.5
109.02888	0.6
115.74763	0.5
120.32056	0.4
121.02838	8.7
122.03629	12.9
123.00702	0.7
124.01537	1.4
125.02318	2.5
128.05289	0.5
133.02829	2.1
134.03624	0.7
135.00735	0.5
135.04449	0.4
136.01540	1.8
137.02335	1.6
149.01122	0.7
149.02336	18.4
150.03123	90.7
151.00252	1.0
151.03439	3.7
152.70703	0.4
160.01596	0.8
161.02328	0.7
164.01080	0.8
164.04689	3.1
165.05475	100.0
166.05817	4.2
169.01320	1.0
177.05495	0.8
178.99770	1.9
180.04196	7.0
181.04781	0.5
191.03389	0.6
193.01308	0.9
195.06546	67.0
196.06857	3.4
199.04021	0.5
203.03362	1.0
208.03825	0.6
214.02641	2.3
214.58241	0.6
215.03351	0.9
222.05266	0.5
240.07751	0.7
242.02177	1.8
243.02892	1.6
259.02438	3.0
267.06619	0.9
268.07321	1.8
270.01657	3.0
271.02466	13.9
272.02798	1.3
280.07272	1.1
283.09720	1.6
287.01953	11.7
287.05051	0.4
288.02368	1.7
293.08029	0.6
294.05505	0.7
294.08783	0.7
295.06021	0.7
295.09213	0.5
296.06757	1.0
308.07031	0.9
309.07700	1.0
311.09161	0.8
312.06241	1.7
315.01468	5.0
316.02219	41.1
317.02740	6.1
322.08072	0.7
323.09140	3.1
324.06339	0.9
324.09848	1.6
327.08722	5.7
328.09189	1.1
337.10565	0.5
338.11758	0.9
339.08731	8.9
339.12335	1.0
340.08878	1.1
342.10992	5.2
349.92813	0.5
354.10870	2.5
355.11340	0.7
357.13416	19.3
358.13812	2.4
369.13382	22.7
370.13657	2.9
414.21283	0.6
461.07074	2.1
473.72583	0.5
494.23270	0.5
535.19720	1.5
583.10950	12.4
583.20990	1.5
584.11328	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	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26293	0.6
59.01256	0.8
61.98709	2.0
70.37710	0.5
70.52870	0.8
70.53198	1.2
71.01274	0.6
72.63193	0.5
79.61196	0.6
84.97598	0.6
93.03311	3.3
98.14384	0.6
109.02843	0.8
121.02845	5.4
122.03639	14.2
123.04460	0.6
125.02341	4.1
132.02184	0.6
133.02872	1.9
136.01595	1.0
137.02370	1.1
138.03125	0.9
147.04420	0.8
149.02348	28.0
150.03128	93.2
151.03456	3.3
161.02315	1.1
163.03888	0.6
164.04713	7.0
165.05482	100.0
166.05772	3.1
169.01315	4.6
175.03955	1.0
177.05481	1.9
180.04179	6.6
182.45845	0.7
190.06250	0.9
195.06552	61.4
196.06796	3.5
208.15207	0.7
209.06125	0.7
221.12039	0.6
222.05119	1.1
224.06709	1.1
230.54688	0.6
267.06573	0.9
268.07397	1.4
280.07449	0.8
283.09702	1.9
284.06558	0.7
287.02060	0.8
294.05283	0.7
296.06882	1.1
297.11176	1.1
299.09253	0.8
308.07004	1.3
308.10324	1.3
309.07642	1.8
311.09134	1.1
312.06412	2.2
323.09137	3.0
323.12503	0.7
324.06421	1.1
324.09964	1.5
325.10785	2.6
326.11523	4.1
327.08713	5.7
337.10760	0.8
338.11533	1.6
339.08789	9.6
339.12448	1.7
340.09164	0.8
341.13818	0.7
342.11002	4.5
354.10846	2.9
355.11749	0.9
357.13446	23.6
358.13776	2.5
369.13428	24.9
370.13724	2.3
431.26422	1.2
449.27386	1.2
457.13251	1.2
461.16095	1.4
467.97058	0.6
472.15118	0.9
487.17462	1.9
505.18738	8.2
506.18793	1.3
517.18683	2.0
535.19727	41.7
536.20062	6.7
583.21655	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	583.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	11.6
61.99016	0.6
71.07765	0.6
76.84986	0.2
93.03332	3.4
95.01289	0.4
109.02836	0.5
120.79027	0.3
121.02840	5.3
122.03625	13.3
123.00775	0.6
123.04398	0.9
124.01599	0.7
133.02844	1.7
134.03673	0.6
135.04443	0.7
136.01544	6.3
137.02348	1.3
139.03947	0.5
145.02911	0.4
147.04388	0.3
149.02348	17.0
150.03128	89.2
151.00343	1.5
151.03914	7.9
161.06018	0.4
163.03917	0.3
164.04703	3.4
165.05484	100.0
166.02644	4.5
166.05821	4.0
166.42885	0.2
167.03407	0.6
175.03917	1.0
176.42799	0.3
177.01875	0.4
177.05412	0.4
180.04196	6.5
181.04968	5.2
189.05504	0.5
190.06323	0.7
191.03415	0.4
195.06557	71.1
196.06866	3.9
205.04941	0.3
206.05771	0.3
221.08125	1.0
282.05481	0.4
292.49887	0.3
297.07562	0.3
329.10324	0.5
342.11044	0.7
343.11429	0.4
357.09702	1.0
357.13467	8.0
358.13831	0.6
369.13373	0.3
372.12115	1.0
373.12717	0.7
387.14493	13.4
388.14841	1.6
505.18924	0.8
535.19720	1.8
536.20337	0.3
583.21881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	4.8
66.65341	0.3
71.01271	0.6
71.49650	0.6
74.23214	0.4
83.10524	0.4
87.04439	0.5
88.98650	0.4
93.03339	5.6
95.01258	0.4
96.95879	4.2
98.97053	0.4
105.67403	0.4
108.02087	1.2
109.02831	1.2
119.00848	0.4
120.21794	0.4
121.02854	13.7
122.03642	17.4
123.00759	0.9
123.04436	1.5
124.01567	1.3
125.02383	1.0
125.16177	0.4
132.02072	0.9
133.02849	2.6
134.03658	1.3
135.04416	8.1
136.01558	13.5
136.04857	0.7
137.02356	3.5
139.03922	0.8
145.02783	0.5
146.03598	0.6
147.04428	1.5
147.05490	0.4
149.02356	32.5
149.06017	0.8
150.03136	95.2
151.00302	3.6
151.03934	14.2
152.01036	1.7
152.04401	0.4
153.01819	0.8
154.02629	1.0
159.04442	0.6
160.05235	0.9
161.02309	0.8
161.05992	1.4
162.03140	0.9
163.03957	3.2
164.04723	5.5
165.05489	100.0
166.02637	9.7
166.05818	4.4
167.03394	3.4
168.04018	0.5
171.04445	0.5
172.05235	1.4
173.06100	0.7
174.03151	0.9
175.03929	4.7
175.07504	0.7
177.01833	0.9
177.05531	1.2
179.07089	0.4
180.04198	6.2
181.04987	11.4
187.07588	0.4
188.04677	0.6
189.05537	4.6
190.06279	6.1
191.03400	0.7
191.06914	0.4
192.04175	0.5
195.06564	53.6
196.06914	3.0
205.05023	0.6
205.08681	2.3
206.05750	0.6
207.06607	0.6
220.07475	0.5
221.08092	1.2
233.08116	0.4
239.03322	0.4
251.72397	0.4
266.05899	0.7
267.03516	0.3
267.06598	0.5
282.05386	1.0
283.06241	0.4
297.07721	1.3
309.07642	0.5
309.14850	0.5
314.08203	0.5
315.08807	1.0
324.09714	0.4
325.07077	0.8
325.10880	1.1
327.08835	0.7
329.10312	4.4
340.13022	0.6
341.10101	0.6
341.13733	0.5
342.11020	1.5
343.11826	0.4
355.12131	0.8
356.12634	1.8
357.09641	2.4
357.13431	10.8
358.13910	0.9
369.13477	1.1
372.12128	1.9
373.12869	2.6
386.14020	0.8
387.14508	27.9
388.14868	3.0
407.11740	1.8
490.16006	0.6
505.18634	5.5
506.18869	1.1
517.18604	1.9
523.12823	0.4
535.19745	47.7
536.20062	7.1
583.21930	2.5
584.22009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35547	0.6
55.01762	2.2
57.03328	5.6
60.49057	0.6
61.98684	0.9
65.00195	9.0
68.99680	1.1
71.49297	0.9
78.95778	1.3
79.01762	16.5
83.01234	0.9
83.04908	0.9
85.06464	1.5
87.04395	1.1
89.00233	2.0
91.01762	1.5
93.03341	1.9
96.63018	0.7
97.02834	7.2
99.04400	0.8
99.08029	8.0
109.02824	0.9
111.04376	1.3
117.03334	1.2
119.04913	70.8
120.05266	2.7
121.02844	3.5
121.06506	1.2
122.03680	0.7
124.01546	4.2
125.05972	1.2
127.03905	3.3
129.97580	0.7
131.04927	0.8
135.04428	1.5
137.05977	1.1
139.03914	6.3
139.04907	0.8
141.05580	0.8
145.02855	4.8
147.04417	1.0
149.05992	15.9
149.99500	2.0
150.03195	1.8
151.00081	0.8
151.03920	1.7
152.04704	1.0
153.05478	4.7
155.03342	1.9
163.03938	1.2
165.01851	29.4
166.02380	1.6
167.07059	34.1
168.07367	2.3
169.05028	1.5
171.04419	6.1
173.05937	1.3
173.09705	0.9
178.02568	0.9
179.03432	2.2
181.04987	9.4
183.02911	4.4
183.08078	1.6
191.03424	0.7
193.04993	27.8
194.05473	1.5
199.06027	1.2
200.08284	0.8
207.02917	0.7
207.06557	1.7
207.08243	0.9
209.08115	1.1
211.06070	2.5
211.11215	1.3
223.11087	1.0
237.09229	0.7
241.08620	0.7
249.90768	0.7
253.12329	13.0
254.12628	2.1
255.10217	1.9
257.08115	1.1
269.08167	3.0
269.11758	1.9
281.08267	1.9
283.09772	9.9
284.10144	1.6
285.07681	52.3
286.08041	4.4
297.11310	100.0
298.11652	9.9
299.09222	9.0
299.12164	1.4
300.09753	1.6
300.13437	0.7
312.10013	1.3
313.10818	26.4
314.11118	1.9
347.22495	1.1
371.12897	2.4
373.10745	0.9
389.14032	1.5
390.14508	0.7
399.15765	0.9
401.13821	2.4
402.14020	0.9
408.83292	0.7
415.12000	0.7
422.63992	0.7
429.92645	0.6
455.15320	0.8
466.77301	0.7
583.19696	31.5
583.29218	1.1
584.20190	6.7
584.29840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23434	0.4
55.01752	2.0
55.38234	0.3
57.03325	6.2
68.99670	0.5
70.51707	0.7
70.52071	0.8
79.01765	6.3
79.05373	0.4
87.04388	1.5
95.01274	0.6
98.19946	0.4
99.08033	6.6
109.02844	1.1
109.99967	2.7
121.06509	0.8
123.00758	0.5
123.08025	0.5
125.05974	0.7
137.99484	0.9
139.00313	0.9
139.03960	0.5
140.01051	7.2
145.06441	0.4
147.04417	0.7
149.05986	6.5
150.03107	0.8
152.04678	1.0
153.01805	1.3
155.03423	1.6
155.08528	0.6
159.08008	1.1
161.06000	0.7
165.98958	2.6
166.06195	0.5
167.07048	24.1
168.00572	1.8
168.07372	1.3
169.54471	0.3
171.04427	3.3
173.09650	0.7
178.02634	0.7
178.99672	0.5
179.03415	1.0
181.01379	1.0
182.02122	15.9
182.03769	0.8
183.02507	0.8
183.08028	1.9
191.66191	0.4
193.04991	8.2
193.06599	0.7
194.05548	0.8
195.08113	0.4
196.08839	0.4
197.04498	6.6
200.08315	0.9
206.05664	0.5
209.07979	0.8
211.11137	1.8
225.12816	0.7
229.12189	0.4
238.09932	0.6
240.00481	0.4
241.08580	0.7
242.08844	0.7
253.05009	0.7
253.12300	16.6
254.12653	1.9
255.10316	1.3
265.05002	0.9
269.11710	0.4
270.05380	2.4
271.05673	0.4
282.08795	0.6
283.06125	2.1
283.09659	1.1
284.10074	1.6
285.07623	6.3
285.10394	1.1
286.08115	0.6
297.11304	100.0
298.11649	11.3
299.12372	0.4
356.10504	2.4
357.11133	1.2
358.11621	0.5
371.12930	1.8
374.11548	0.9
383.16547	1.0
385.14468	1.7
389.13913	1.6
415.11798	3.3
416.12045	0.6
427.15472	0.7
439.80978	0.4
583.19647	11.5
584.20001	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	583.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01235	1.3
61.98694	1.0
68.99688	1.4
71.01244	0.6
71.25523	0.4
71.48934	0.5
75.02264	0.4
79.01752	1.0
79.40485	0.4
85.02818	0.5
90.64910	0.4
94.60608	0.4
95.01265	0.6
97.96369	0.4
99.04367	0.5
109.02874	0.6
111.04421	0.5
113.05939	0.5
117.03349	0.7
119.01290	2.4
123.00763	1.0
124.01508	0.8
125.02317	2.0
127.05493	0.5
134.89450	0.4
135.00713	0.5
135.04350	0.6
136.54091	0.5
137.02333	1.1
139.03889	3.7
141.05434	1.6
143.04921	1.2
145.02831	0.5
147.00737	2.4
147.04385	0.6
149.02296	0.6
150.03098	1.2
155.04936	0.7
159.04393	1.1
161.02261	0.5
163.00232	2.6
163.03923	0.8
164.00966	0.7
165.01895	0.8
165.05455	1.1
167.27701	0.4
169.02936	0.5
171.04398	6.5
173.02359	0.6
173.05936	1.1
175.03920	1.6
179.03365	0.8
181.04979	0.9
183.04424	1.5
183.06540	1.0
183.08142	0.6
185.02345	0.8
187.03899	3.5
191.03415	0.6
195.06396	0.5
197.02400	2.3
198.03099	0.7
198.06853	0.4
199.03937	6.1
201.01907	0.9
203.03389	1.0
211.04021	0.7
213.05399	0.4
214.02533	0.6
215.03439	4.5
225.01891	3.7
226.02525	1.2
227.03456	3.6
229.01321	0.7
241.05098	0.4
242.02116	0.8
243.02953	14.9
244.03378	0.8
253.01453	2.4
253.08636	0.5
254.02063	0.5
255.02936	2.2
255.06487	0.4
269.08170	6.3
270.08411	0.6
271.02484	17.0
271.09735	1.7
272.02817	1.7
281.00787	0.7
282.01688	1.0
283.09714	3.9
297.11261	1.0
299.01953	100.0
300.02380	11.4
313.10605	2.2
347.22400	1.0
355.04578	1.6
355.13431	2.7
373.14322	2.4
388.07745	0.4
390.29675	0.5
391.08313	0.5
423.12381	0.8
539.13104	0.6
565.18610	0.8
583.12378	10.2
583.20032	1.9
583.31232	1.6
584.12640	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	582.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33939	0.2
59.01245	0.7
61.98700	100.0
62.98397	0.3
70.51956	0.6
71.01251	0.4
89.02325	0.3
96.95891	0.3
116.92754	0.3
120.99519	0.4
125.02322	0.8
137.02339	0.2
169.01355	0.5
191.14314	0.3
227.14256	0.3
228.14832	0.5
229.15228	0.2
244.85020	0.2
253.14366	0.5
301.13470	0.3
308.34744	0.3
327.12289	0.5
328.12802	1.0
329.13049	0.8
330.13095	0.6
342.14767	0.3
343.15195	0.4
344.15274	0.5
345.15405	0.3
345.40778	0.2
357.17224	0.6
358.17456	1.8
359.17618	1.9
360.18018	1.5
522.26593	0.5
531.18719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1091
Annotation	Myricetin 3-(2''-p-hydroxybenzoylrhamnoside)
Peak:m/z	Relative Intensity
53.43750	0.4
54.21444	0.5
61.98708	2.6
62.77043	0.5
63.02273	1.0
65.00189	1.8
69.48812	4.2
69.68697	0.5
70.74403	0.5
70.91879	0.5
83.01263	1.2
85.99305	0.5
93.03339	10.9
107.01263	4.9
109.02831	3.1
124.01586	2.9
125.02335	1.7
130.57784	0.5
137.02350	24.1
138.02710	1.3
139.09937	0.5
143.04872	0.6
144.30859	0.5
150.03093	0.6
151.00272	15.5
152.00989	1.3
156.08893	0.6
159.04419	0.6
161.02348	0.6
163.00227	2.7
164.01048	2.3
165.05524	0.5
169.01324	1.5
171.04439	0.6
175.03958	0.7
178.99782	14.6
184.85381	0.5
187.03935	1.7
192.00616	0.8
193.01230	0.7
199.03847	0.8
203.03409	3.1
204.93550	0.5
213.01837	1.0
214.02675	6.3
215.03381	2.4
217.01201	0.7
219.02908	0.6
227.03375	1.4
229.05040	0.9
231.02985	0.7
232.03496	0.7
241.01266	0.6
242.02148	4.7
243.02963	5.2
259.02417	7.7
260.03012	0.7
270.01648	6.8
271.02463	36.7
272.02887	3.5
285.04083	3.1
287.01965	30.2
288.02533	3.7
289.03595	0.6
299.02005	0.8
315.01486	18.7
316.02206	100.0
317.02927	51.8
318.03253	4.3
445.07779	5.5
446.07858	1.1
463.08679	3.3
583.10895	76.7
584.11218	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.2
59.01246	0.4
61.98699	100.0
63.65887	0.2
66.34496	0.2
69.41076	1.5
78.95776	0.8
79.01758	0.6
99.08041	0.4
104.44259	0.1
107.65590	0.2
111.04399	0.2
113.05915	0.2
135.04430	0.4
137.05995	0.2
149.06000	0.4
152.99547	0.4
153.05472	0.8
167.07043	1.9
168.04239	0.2
171.04433	0.4
179.03456	0.3
183.06552	0.5
183.08049	0.2
193.05063	0.6
194.68602	0.2
209.08107	0.2
211.11203	0.9
216.57426	0.2
250.57748	0.2
253.12352	0.4
255.10187	2.6
256.10611	0.4
269.08179	0.2
279.23306	1.5
280.23682	0.8
281.23795	0.4
282.24124	0.3
283.09741	4.3
284.10257	0.5
297.11282	9.0
298.11667	0.8
317.08948	0.2
325.10712	0.3
325.72250	0.2
334.50253	0.2
399.12509	0.5
433.24005	0.2
467.11694	0.3
504.30969	1.0
505.31427	0.3
506.31827	0.2
507.31891	0.7
581.22021	0.7
581.31226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
61.01650	0.2
61.98701	100.0
71.49020	0.3
78.13968	0.2
78.95790	0.6
79.01775	0.2
82.95993	0.2
94.06228	0.2
97.02891	0.3
99.08055	0.5
133.02861	0.2
152.99513	0.7
153.05452	0.5
167.07051	3.9
171.04462	0.3
171.54683	0.2
179.03333	0.4
193.05099	0.2
209.08171	0.2
211.11125	0.2
241.08722	0.4
253.12407	0.3
255.10286	0.6
279.23325	2.6
280.23642	1.2
281.24054	0.6
282.24344	0.6
283.09830	1.8
297.11307	3.8
298.11731	0.7
413.13861	0.3
504.30814	1.0
507.31473	0.4
581.27643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
57.03057	0.4
57.03324	7.5
59.01244	0.4
61.98697	0.5
64.06696	0.3
68.99686	1.2
79.01765	5.8
79.05374	0.5
83.01255	5.3
84.62894	0.3
85.06462	11.4
87.04369	0.9
90.21288	0.3
99.08013	3.2
109.02831	0.8
121.06465	0.9
123.08053	0.4
125.02325	0.5
126.33276	0.3
134.58882	0.3
137.05997	0.4
143.04906	0.4
149.05997	7.3
152.04686	1.1
153.05486	25.7
154.05763	1.0
155.08566	0.7
161.06053	0.5
162.06702	0.6
167.07057	18.4
168.07382	0.9
171.04434	8.1
172.04880	0.6
173.09579	0.4
179.03383	0.4
183.06586	0.5
183.08058	1.4
191.03416	0.4
193.04997	10.2
194.05367	0.4
195.08051	0.5
196.08905	0.9
197.09674	1.9
197.11497	0.4
197.95570	0.4
200.08363	0.8
206.05855	0.6
210.06667	0.4
211.11209	4.0
225.12874	0.6
237.09303	0.4
241.08699	4.2
242.19853	0.3
248.06871	0.4
253.12321	20.1
254.12604	2.0
255.10236	10.0
256.10504	0.9
267.10333	0.7
271.09790	0.5
271.61118	0.3
283.09717	4.1
295.13400	0.5
297.11316	100.0
298.11633	9.3
298.14923	0.7
330.46786	0.3
339.12335	8.0
383.16754	0.4
387.16019	0.5
408.90918	0.4
413.14063	2.1
427.15567	6.9
428.15796	1.1
506.63824	0.4
581.21722	6.7
582.22394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
57.03319	1.6
57.94305	0.3
59.01251	0.3
61.98697	0.9
65.00188	0.6
68.99683	0.4
71.28806	0.7
77.75539	0.3
79.01746	1.9
83.01241	0.8
85.06457	1.9
95.04941	0.3
99.08023	1.5
99.25047	0.3
99.76266	0.3
109.02832	0.6
111.04405	0.4
112.70139	0.3
115.05452	0.4
130.04120	0.4
135.04405	1.6
149.05988	2.4
153.05490	4.6
166.06255	0.5
167.07034	10.7
168.07376	0.3
171.04451	1.5
173.09625	1.5
179.03386	2.5
192.70404	0.4
193.04997	3.5
194.05632	0.4
197.09634	14.0
198.10005	0.6
199.07509	1.4
200.08342	0.3
211.11179	0.7
213.09178	0.3
215.10701	1.0
241.08652	35.8
242.09015	2.9
253.12364	3.8
255.10220	1.4
267.06665	0.9
274.52573	0.3
283.09729	100.0
284.10065	9.3
297.11298	26.6
298.11624	2.7
339.12192	0.7
369.14810	0.9
427.15259	0.5
563.20691	4.5
564.21057	0.9
581.21857	5.3
581.30377	0.7
582.22174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.9
57.03319	7.3
68.61728	0.6
68.99684	0.7
69.15034	4.1
69.15456	1.9
79.01760	10.1
79.05399	0.8
87.04370	1.0
99.08034	9.7
109.02846	1.2
111.04384	0.6
121.06511	1.4
136.01491	1.2
138.03133	7.6
147.04443	1.2
149.04863	0.9
149.05968	10.7
150.03178	1.1
151.03905	0.9
152.04692	1.3
153.05489	7.4
159.08090	1.3
161.05994	0.7
164.01016	1.4
166.02599	0.7
167.07045	38.9
168.07379	2.1
171.04408	3.3
173.09641	1.2
178.02631	1.3
179.03427	4.7
180.04184	7.5
181.04578	0.6
183.08049	2.6
193.04976	13.0
194.05389	1.1
195.06563	7.7
197.09624	0.9
200.08322	1.0
211.11205	1.7
211.82866	0.6
225.12810	0.7
229.12297	0.8
237.09053	0.6
253.12312	18.9
253.14972	0.9
254.12659	2.0
255.10152	0.9
281.08286	1.0
283.09781	5.5
295.09711	1.1
297.11307	100.0
298.11630	9.4
321.49304	0.6
326.13007	0.6
355.13443	1.2
357.11172	1.5
369.14853	2.5
383.16656	1.3
385.14359	2.2
387.16144	4.0
388.63763	0.6
413.14020	1.8
581.21771	39.8
582.22009	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	581.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56066	0.2
55.01711	2.1
57.03269	5.8
57.03573	0.5
68.99643	0.7
69.17165	3.3
71.50749	0.2
75.95067	0.2
76.80576	0.3
79.01764	9.4
79.05382	0.5
83.01255	2.2
85.06470	3.6
85.06947	0.6
87.04375	0.7
87.18829	0.3
91.05345	1.1
95.04905	1.5
97.02779	1.0
99.08037	8.1
104.58338	0.2
107.04854	0.7
109.02770	0.9
109.06474	1.4
111.04406	4.4
116.02133	0.3
121.02679	0.3
121.06393	1.1
123.04382	1.5
123.07991	0.9
125.05920	0.6
130.04073	0.3
132.08492	0.3
133.06413	0.4
135.04410	5.0
136.05148	0.6
141.07098	0.3
145.06407	0.7
147.04324	0.7
149.02283	0.4
149.04890	0.4
149.05984	6.0
150.03137	1.3
150.06290	0.3
151.03926	1.7
151.07542	2.3
152.04625	1.2
153.04282	0.5
153.05472	9.4
154.05730	0.5
155.08508	0.6
159.08003	1.3
161.05939	0.6
163.03856	0.6
164.04706	2.0
165.07962	0.3
165.09128	3.7
166.06238	0.5
167.07056	29.7
168.07320	1.0
171.04437	3.6
172.04698	0.5
173.05956	0.4
173.09584	1.3
178.02557	0.6
179.03416	5.2
182.07230	0.4
183.08093	2.8
191.03401	1.1
192.04218	1.7
193.04999	8.2
194.05682	0.9
195.06563	6.0
196.03598	0.3
196.08781	0.7
197.04369	0.3
197.09624	1.4
200.08289	1.0
205.05055	0.4
209.08121	15.6
210.08453	1.0
211.11211	2.0
213.09187	1.4
224.03204	0.9
225.12804	0.5
237.09203	0.8
238.09811	0.5
239.10692	2.3
241.08707	2.3
242.09116	0.3
253.12325	14.7
254.12657	1.6
255.10301	3.8
256.10675	0.4
265.08575	0.7
281.08203	0.7
281.11954	0.3
282.08673	0.4
283.09756	71.7
284.10092	7.0
295.09711	0.3
297.11322	100.0
298.11652	10.0
299.12900	2.3
313.12411	0.9
353.11923	0.3
357.11343	1.8
358.11804	0.3
369.14963	2.6
371.12979	0.8
383.16428	0.7
385.14630	0.3
387.16000	2.8
413.14005	2.4
427.15787	0.4
433.83490	0.3
581.21753	6.3
582.21954	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	581.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78922	0.5
53.51982	0.5
55.01764	3.1
57.03311	3.0
61.79363	0.5
79.01766	11.1
80.96375	2.1
88.04037	0.5
90.96593	0.5
91.05418	1.5
97.02830	1.1
98.20686	1.1
99.08031	6.7
111.04400	6.2
117.16839	0.5
123.04401	3.0
127.07298	0.5
135.04425	7.9
136.05191	0.9
138.03120	6.1
145.06462	1.8
149.05956	3.4
151.03941	3.0
152.04674	1.2
153.05489	9.6
155.08646	0.7
159.08026	0.8
163.03969	0.6
164.04692	3.4
167.07053	24.6
168.07460	0.8
171.04436	1.6
178.02527	0.8
179.03429	6.8
180.03822	0.6
183.08095	2.9
191.03413	1.0
192.04185	2.4
193.04962	3.7
195.08156	0.7
195.86710	0.6
197.09756	0.9
203.07088	2.8
205.05051	0.8
211.11197	0.7
211.13159	0.6
213.09097	2.2
224.03169	1.8
225.12704	0.6
237.09114	1.7
239.10657	3.2
241.08646	5.0
247.06042	2.4
253.12297	3.8
255.10263	5.6
281.08090	1.1
283.09756	100.0
284.10162	8.4
297.11325	41.2
298.11734	3.2
299.09341	0.6
310.34186	0.7
325.94473	0.5
383.16479	2.9
427.15457	2.4
549.45331	0.5
581.21814	18.3
581.30090	3.1
582.22375	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	581.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21102	0.8
53.31612	0.7
59.01238	1.8
60.84914	0.7
61.98703	9.3
67.01745	1.1
68.27881	0.8
68.99688	18.3
70.40766	1.4
70.41119	2.1
70.51778	0.7
71.01234	1.5
73.02795	0.8
75.44714	0.7
79.44778	0.8
93.03336	1.0
95.01265	1.6
96.95912	1.4
108.02052	27.9
109.02873	4.4
110.28534	0.9
116.92738	2.2
117.03342	1.8
121.02781	1.8
122.03619	3.0
123.00771	12.5
123.04406	29.7
125.02351	5.7
126.02682	1.3
132.02098	4.3
133.02953	1.6
138.03130	38.1
139.03510	1.6
147.04414	2.7
148.01581	1.5
149.02187	0.9
150.03133	13.2
153.05476	1.2
158.18604	0.9
160.01575	2.1
161.02353	11.8
162.03127	25.9
163.03918	10.4
165.05457	1.4
167.03391	2.3
169.01294	2.3
175.03969	1.6
177.05487	39.7
178.02634	34.7
178.05846	2.8
179.03313	3.5
179.07124	0.9
193.04988	100.0
194.05356	6.3
208.03555	0.9
220.07326	1.2
257.07977	0.8
268.07352	2.7
280.07468	1.2
283.06204	0.8
283.09744	2.8
284.07062	1.0
288.02771	1.0
296.06891	1.3
308.06918	1.5
309.07562	1.9
312.06360	3.0
323.09247	2.9
324.06393	1.5
324.10049	2.7
327.08798	7.8
328.64795	1.0
337.10718	1.1
338.11710	1.0
339.08713	10.9
339.12344	1.5
341.10446	1.8
342.11118	9.3
354.11179	3.6
356.12683	1.4
357.13461	14.8
358.13712	2.1
369.13419	12.5
373.26169	1.5
388.50232	1.1
415.38388	0.9
551.19604	1.6
581.20337	37.2
581.30396	2.5
582.20868	6.2
582.29858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43067	0.8
51.68728	0.9
57.03322	0.9
59.01252	3.3
61.98715	1.7
69.03317	1.5
71.01250	3.4
71.07079	1.6
73.02831	1.5
75.00732	2.2
81.03315	10.1
83.01240	5.9
85.02824	2.3
88.98679	2.8
89.02317	3.5
93.03357	2.4
95.01276	2.5
95.04900	6.8
97.02832	6.0
99.04391	1.7
101.02335	2.6
107.01286	1.1
107.04900	1.9
109.02841	3.6
109.06460	1.1
111.04398	2.7
113.02334	3.7
119.03342	1.4
121.02848	3.6
121.06509	1.4
123.00777	1.1
123.04400	10.2
125.02347	11.1
126.46991	1.0
131.03371	1.1
131.04939	1.8
135.04427	2.6
137.02367	5.1
137.05972	3.1
139.03926	5.1
147.04437	2.2
147.08014	1.4
149.02299	1.5
149.05995	3.2
151.03893	3.9
153.05492	1.0
155.03419	1.6
163.03906	2.3
164.04707	1.8
164.37183	0.9
165.01849	1.7
165.05496	2.8
166.02582	2.1
167.03412	20.4
168.03842	1.1
173.04494	1.0
173.05988	7.7
177.05476	1.2
179.03392	4.4
181.04901	1.2
191.03482	1.5
197.04422	5.2
202.02925	0.9
205.01393	1.4
209.04495	20.2
210.04773	1.9
213.09090	7.0
219.02821	1.5
221.04546	1.8
225.09064	1.3
227.10686	2.5
229.08629	3.7
238.32286	0.9
239.05464	7.5
253.08684	1.3
255.06532	1.6
255.10211	1.3
257.08173	8.3
269.08508	4.8
269.77591	1.0
281.08151	1.1
283.09683	3.1
287.09222	1.1
299.09195	19.7
299.12286	1.5
300.09726	2.1
311.09219	8.6
313.11011	1.2
323.09216	1.1
325.10736	2.8
329.10226	6.4
330.10782	1.0
341.10269	100.0
342.10602	11.4
353.10251	4.7
355.11624	1.1
371.11331	80.4
372.11673	11.7
383.11472	5.2
389.21777	1.2
401.12415	25.8
402.12817	1.9
413.12411	1.5
425.12219	1.2
443.13318	8.5
461.14600	13.5
462.14819	1.6
473.14441	7.4
491.15332	3.0
502.44092	1.0
521.26099	5.7
545.16443	1.4
581.19000	7.0
582.18903	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	69.6
61.98697	5.0
69.39334	39.1
71.01253	59.6
72.99148	6.8
73.02807	17.7
77.65982	6.2
85.02795	6.1
89.02317	90.1
92.77850	6.6
98.20683	5.6
99.00762	31.1
101.02306	40.9
102.83103	5.3
111.00748	13.0
112.98715	10.9
113.02313	9.1
115.00217	7.5
122.03568	5.7
125.02323	12.4
129.16830	5.8
131.03363	15.9
138.85545	5.6
141.92033	6.3
149.02348	7.2
149.04446	100.0
150.03107	46.3
160.71094	5.0
164.04602	6.8
165.05473	61.3
175.02348	11.7
176.01918	5.5
191.05501	29.7
195.06599	33.1
251.07727	10.3
266.26779	5.7
311.09705	7.2
333.15344	8.5
337.09555	26.5
356.02289	15.5
461.14584	23.9
519.24390	23.1
579.16229	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76275	0.9
59.01236	1.7
59.10160	0.8
67.14698	0.8
71.49355	1.1
73.86301	0.7
82.86139	0.8
99.92458	10.4
116.92741	100.0
117.92757	6.0
119.48773	0.8
120.36945	0.8
135.24527	1.2
172.06140	0.7
186.28267	0.9
194.00900	1.1
254.54387	0.8
271.02396	2.3
287.01935	1.7
287.14948	1.8
316.02118	5.0
317.02823	1.5
366.14105	1.0
463.08801	6.1
545.00067	2.7
546.00372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.8
61.46085	1.2
61.98700	20.2
69.43056	4.7
69.43475	4.3
71.01248	4.4
73.02822	1.7
81.03349	1.3
85.02804	2.8
86.95989	1.1
89.02294	3.2
93.03334	2.7
98.19707	1.7
101.02325	3.2
113.02317	4.8
113.80103	1.2
116.92673	1.5
121.02814	5.5
121.17857	1.1
122.03635	12.1
124.01505	1.6
125.02306	5.3
135.04398	2.5
137.02284	1.6
139.00235	1.6
149.02345	29.9
149.04274	1.6
150.03128	56.4
151.03539	3.1
152.01042	3.9
161.04382	1.1
163.03859	5.3
164.04712	18.0
165.05476	68.6
166.05838	4.8
167.03371	2.1
169.01289	3.6
169.05029	2.2
169.06514	1.4
171.07951	1.6
175.00240	3.2
177.01848	2.1
177.05370	1.4
179.07022	5.7
180.04199	5.4
181.04985	1.7
190.02597	10.0
191.03358	2.6
193.01347	9.3
195.06544	58.7
196.06857	3.2
205.05028	10.5
206.05748	4.6
207.02835	2.3
208.03705	26.2
209.03964	2.1
213.09140	50.6
214.09552	5.6
221.08101	3.2
223.06064	100.0
224.06430	7.6
239.07106	3.6
250.04816	1.4
257.08221	2.0
261.73111	1.3
265.07120	10.2
359.14880	3.9
371.11429	8.3
372.11478	2.9
419.13403	48.8
420.13791	6.1
453.74478	1.5
461.14560	2.5
463.08578	2.5
521.20154	9.5
567.41675	1.5
606.88232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85644	0.3
59.01254	4.4
61.98700	3.4
69.03374	0.3
69.89772	0.7
69.90179	1.3
71.01250	4.3
72.99183	3.3
73.02814	1.4
75.00743	100.0
76.01084	1.0
83.01258	0.6
85.02817	1.7
87.00725	0.4
89.02316	1.9
93.44547	0.4
99.00751	1.1
101.02336	3.6
113.02328	1.9
125.02319	0.9
131.03404	0.6
136.01559	1.7
149.04501	0.4
151.03914	2.6
161.04378	0.8
163.03815	0.4
180.80714	0.3
194.02565	0.3
234.88931	0.3
237.29176	0.3
243.84503	0.3
264.06793	0.3
322.13324	0.3
342.11133	0.6
353.10162	0.4
357.13419	3.4
358.13925	0.6
358.36877	0.3
371.20752	1.4
378.99036	0.3
388.20981	0.3
503.24997	13.0
504.25500	2.1
519.24030	3.0
520.24854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.0
61.98689	2.1
70.51621	0.9
70.52005	1.0
71.01256	1.3
72.99174	0.5
73.02813	0.4
75.00751	0.9
81.22800	0.5
85.02850	0.6
86.20844	0.5
89.02323	0.9
99.00737	0.5
101.02305	1.0
113.02299	0.8
119.04880	0.5
125.02311	1.7
128.03391	0.7
138.82292	0.5
143.04477	0.7
147.59634	0.5
169.01292	0.7
200.00691	0.4
209.11679	2.0
211.07581	1.7
225.92690	0.4
227.14366	17.8
228.14677	1.4
255.13832	2.1
268.07437	0.6
271.13489	0.8
283.10077	0.9
283.13358	3.9
299.12878	11.4
300.13315	0.8
306.04242	0.5
306.07535	0.9
327.12350	51.9
328.12726	5.1
342.14694	24.1
343.15192	2.5
357.17038	100.0
358.12866	0.5
358.17380	11.0
456.78784	0.5
463.08481	0.5
480.51370	0.5
579.16443	0.8
579.29779	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	579.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24899	1.0
59.01250	4.5
60.99174	20.1
61.98704	1.2
69.59792	4.6
69.60201	1.3
71.01260	1.5
72.99184	1.0
85.02786	1.0
88.98676	100.0
89.02314	1.6
111.48263	0.9
125.02321	1.4
151.00256	2.2
178.99738	1.9
183.13872	1.0
192.00778	0.9
227.03487	2.3
243.03011	5.0
243.05057	0.9
254.01839	1.3
255.02975	11.4
256.03406	1.3
271.02475	26.3
272.02945	3.1
299.01962	2.4
300.02731	48.9
301.03326	8.9
331.86136	0.9
489.10379	58.2
490.10779	8.5
579.30316	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	1.2
71.01244	3.0
71.49330	0.6
71.49700	0.7
75.00734	4.7
82.38039	0.5
85.02814	1.3
89.02325	1.2
95.01255	0.8
99.00752	0.6
101.02314	1.5
102.46682	0.5
109.02840	1.2
111.00738	0.6
113.02318	0.9
115.77279	0.5
123.00771	2.3
124.01571	0.7
125.02339	1.9
128.03435	0.6
137.02339	9.1
149.02374	1.1
151.00270	17.2
151.03885	1.0
152.00954	0.7
152.04675	2.2
160.00497	0.6
161.02344	0.7
163.03885	0.9
165.01863	0.8
166.02621	60.9
167.03098	4.1
175.03941	1.0
177.01851	2.7
178.02615	0.6
181.04977	80.4
182.05339	3.3
184.03680	1.6
190.06250	0.9
191.03477	1.3
192.04147	1.3
193.04932	1.2
195.03008	0.7
201.11327	0.7
205.04987	0.5
205.08571	0.9
207.06557	1.3
209.11725	1.1
211.07562	1.3
219.06552	0.6
272.08847	0.6
295.27512	0.5
301.06812	0.7
306.07681	1.1
316.09348	0.7
344.95920	0.5
359.11313	1.7
362.35846	0.7
371.15112	0.7
387.10852	18.0
388.11118	1.7
402.13211	6.7
403.13541	0.8
417.15524	100.0
418.15857	12.4
451.36786	0.6
519.27051	0.5
579.17249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63196	0.3
52.73070	0.2
59.01245	17.7
61.98698	1.5
67.30206	0.3
71.01244	1.3
73.02814	0.3
78.95770	6.8
78.98447	1.5
79.95592	2.4
80.96384	14.6
81.03348	0.3
81.96333	0.3
82.95959	1.2
82.96800	0.3
85.02814	0.5
87.00732	0.3
94.97961	3.0
95.01240	0.3
95.98376	0.4
96.95863	0.5
96.97559	0.3
98.20583	0.7
101.02352	0.5
106.64594	0.2
106.97983	0.5
109.81599	0.2
122.21756	0.3
122.97462	0.9
125.02330	0.7
134.97469	0.8
135.12920	0.2
148.99036	1.0
152.98463	0.6
152.99606	1.4
164.98537	1.8
165.98885	0.6
167.07124	0.3
168.04173	1.4
182.99496	0.4
195.38358	0.3
201.91489	0.2
206.99707	0.4
218.99239	0.3
224.06871	1.1
225.00690	2.4
226.01056	0.5
242.07962	2.8
261.22113	0.6
277.21667	0.3
279.23267	100.0
280.23633	9.8
280.26819	0.5
302.64102	0.3
369.05823	0.3
385.76486	0.3
418.39661	0.3
504.30945	27.1
505.31201	4.4
578.27191	21.2
579.27008	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	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85724	0.2
59.01250	22.5
61.98699	0.8
63.73884	0.2
70.04879	0.5
70.05256	0.5
71.01252	0.4
78.95775	23.1
79.95595	0.3
80.96394	1.9
82.95959	0.3
90.32272	0.3
94.97961	0.9
96.96851	0.3
101.97063	0.3
118.62270	0.2
122.98389	0.4
133.09415	0.3
135.82309	0.3
152.99504	3.4
153.71968	0.3
167.07053	1.2
168.04219	3.5
169.04366	0.3
189.07158	0.2
209.11568	0.3
211.13173	0.3
224.06886	8.2
225.00612	0.3
225.07159	0.3
242.07956	2.2
244.42982	0.2
261.22354	0.4
275.74603	0.2
279.23279	100.0
280.23605	10.0
297.11307	0.4
323.12866	0.6
346.81284	0.3
354.33392	0.3
375.47363	0.3
387.36105	0.3
441.63208	0.2
504.30960	63.3
505.31271	10.8
578.27289	3.1
579.27563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.3
59.01253	14.4
61.36833	0.7
69.84993	4.0
71.01250	3.1
79.01760	0.9
85.02848	1.0
88.61020	0.8
89.02321	1.2
99.08012	2.8
101.02330	3.1
113.02274	0.9
127.56576	0.8
146.17712	0.8
149.05977	1.1
161.04454	1.1
167.07045	29.9
168.07425	0.9
193.04950	3.8
209.11768	1.7
235.08177	2.1
253.09251	13.4
254.09744	0.9
268.50146	0.8
281.24826	100.0
282.25192	9.8
293.21176	2.1
321.11307	1.2
321.34543	0.8
383.16394	2.8
402.24921	0.8
577.22064	9.0
578.22534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58470	0.3
55.01759	0.8
59.01246	0.5
61.98701	100.0
69.29149	3.3
71.01252	0.4
79.01777	1.3
79.95610	0.9
80.96387	4.1
93.52331	0.4
94.97976	1.0
97.02849	0.8
99.08022	4.1
100.08385	0.5
117.03316	0.7
119.04943	0.4
122.89285	0.3
122.97507	0.5
131.34850	0.4
145.02872	2.9
149.05991	1.2
152.04706	1.1
153.05083	0.6
164.98566	0.8
166.06238	0.8
167.07059	29.4
168.07387	11.1
169.07614	0.4
181.63629	0.3
193.05006	2.9
194.05380	1.2
209.11761	0.6
211.13623	0.5
225.00722	0.9
267.06650	0.8
275.48248	0.4
279.23264	0.8
280.23676	1.5
281.23935	0.7
295.09842	0.4
306.08627	0.5
307.09781	0.6
308.10126	0.5
319.09363	0.5
321.11292	1.0
322.11679	0.9
333.11404	0.5
334.11728	0.5
383.16501	1.3
384.16739	4.0
395.12680	0.7
396.13184	1.1
410.14832	1.0
411.15613	1.2
417.58661	0.4
578.22559	16.3
579.29492	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	577.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.5
56.02076	0.8
59.01239	3.4
61.98698	0.8
63.96109	1.2
69.03323	1.0
71.01251	8.4
71.49367	0.6
72.99173	0.4
73.02809	1.4
78.95779	0.7
78.98463	6.1
79.01759	0.8
79.95602	12.0
80.96385	75.5
81.03349	0.7
83.01215	0.4
84.36559	0.4
85.02825	2.8
87.00745	2.8
94.97957	17.3
96.95883	0.9
97.02840	1.7
99.00769	1.1
101.02292	3.1
106.97966	3.4
109.02809	0.5
113.02301	0.5
122.97472	5.8
125.02347	3.3
125.03172	0.5
127.03889	0.9
133.27925	0.4
134.97488	5.7
136.99059	1.4
148.99054	6.0
152.98524	6.8
152.99669	0.5
163.38477	0.4
164.98531	10.9
167.07040	2.6
168.07445	0.5
170.84563	0.4
182.99620	2.6
186.96664	0.4
193.05023	0.8
206.99675	3.0
209.11786	0.5
225.00687	16.5
226.00986	0.6
242.08069	0.4
243.01776	1.4
255.06662	0.7
277.21790	2.2
279.23267	14.5
297.11288	1.2
299.04352	2.5
302.66177	0.4
410.14429	1.3
424.16278	0.6
425.16797	0.7
477.20389	0.5
504.31036	4.6
533.22333	2.4
577.27063	100.0
578.27319	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	577.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31663	5.3
59.01253	36.2
62.93689	5.2
69.96272	6.1
70.07475	28.8
71.01264	42.9
73.02818	12.8
83.97756	5.5
85.02840	16.9
87.11977	7.8
87.24934	6.9
89.02316	52.7
96.67374	5.4
96.95847	8.0
99.00780	18.2
101.02317	15.3
111.09824	6.4
113.02396	8.5
125.02340	18.7
131.03415	13.0
141.64499	5.6
147.20869	6.1
149.04437	25.2
152.08305	12.7
153.09111	12.9
184.15686	7.2
191.05501	80.9
191.06979	9.3
205.12263	35.3
211.60461	6.0
229.93761	7.4
233.06630	9.4
293.08783	14.7
517.22882	100.0
518.22882	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	577.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.2
57.03312	1.2
59.01242	0.5
60.04786	0.3
62.05663	0.3
67.51148	0.3
68.98267	0.3
70.52316	1.1
79.01761	4.7
97.02840	2.3
99.00781	0.4
99.08028	13.6
102.90879	0.3
109.02835	0.6
123.08039	0.8
125.05978	1.1
145.12111	0.3
149.05992	5.2
151.03938	0.6
152.04689	5.8
153.05403	0.4
164.58968	0.3
166.06300	1.9
166.72615	0.4
167.07042	100.0
168.07367	5.1
193.04990	12.0
194.05363	0.6
207.08147	0.6
211.11127	0.5
211.13289	0.5
217.10152	0.8
231.55290	0.4
233.09692	1.0
247.11287	0.6
251.07111	0.4
255.10161	1.2
267.06610	3.1
267.10101	0.7
268.06927	0.4
271.28479	0.3
277.08603	1.0
277.12289	1.0
278.09314	0.6
279.10184	0.3
285.12906	0.7
295.09833	1.1
305.08261	0.5
306.08081	0.6
307.09872	1.6
308.10126	0.4
313.12326	0.4
318.08939	1.5
319.09604	1.0
321.11270	4.7
322.11801	1.0
323.13129	0.5
333.11371	2.3
334.11600	0.5
339.17404	0.9
367.13315	0.6
368.14185	0.8
377.13898	0.7
383.16495	13.7
384.16888	2.3
390.27701	0.3
393.14993	0.6
394.11877	0.6
395.12851	4.3
409.14407	2.6
410.15057	2.9
411.15649	0.6
477.20609	0.7
533.22980	0.6
577.22247	46.6
578.22565	10.0
593.21906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46324	0.5
57.03317	1.0
59.01245	5.8
61.98695	1.1
69.03316	0.5
71.01233	1.1
83.04891	1.8
89.02306	0.8
96.95879	6.3
97.06445	0.7
98.20634	0.8
101.02306	0.9
109.02823	0.5
125.02389	0.6
133.06435	0.5
143.04909	1.0
147.04436	0.5
154.07774	1.0
155.08542	1.3
171.10175	1.0
186.06847	0.8
193.12262	1.2
211.07574	1.2
223.07567	1.0
225.12813	12.4
225.14856	0.9
226.13222	1.4
239.10713	0.5
253.09273	2.5
253.12260	1.7
268.07404	0.6
269.08090	0.7
269.11838	0.9
281.11740	3.5
283.09781	0.6
297.11285	12.4
298.11597	1.1
309.14771	0.6
325.10782	52.6
326.11115	5.6
340.13110	22.9
341.13397	2.6
341.23303	9.5
342.23697	0.7
355.15479	100.0
356.15836	13.5
407.11658	1.8
408.12170	0.5
430.46759	0.5
499.71368	0.6
517.29919	0.9
545.94275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.4
57.03321	1.2
58.72380	0.3
60.64980	0.3
70.82200	0.7
79.01763	4.3
97.02838	2.2
99.08034	14.3
100.08395	0.3
109.02843	0.5
111.04377	0.6
111.28751	0.3
123.08041	1.0
125.05982	1.4
147.41255	0.3
149.05971	4.3
151.03867	0.4
152.04680	6.1
166.06276	1.6
167.07045	100.0
168.07355	4.9
193.04987	8.6
194.05321	0.6
211.11195	0.6
230.05659	0.3
233.09631	0.5
247.11269	0.4
249.09236	0.4
255.10277	1.5
267.06665	1.5
267.10278	0.7
277.08905	0.3
281.07996	0.5
291.10226	0.5
295.09854	1.2
305.08221	0.5
307.09720	0.9
318.09021	0.7
321.11246	3.7
322.11609	0.6
324.15240	0.5
329.92657	0.4
333.11301	1.2
339.17410	0.4
353.11487	0.4
367.13181	0.6
368.13986	0.9
383.16492	9.4
384.16788	1.4
394.11938	0.6
395.12848	2.0
409.14417	1.3
410.15161	1.2
433.21896	0.5
477.20810	1.9
533.23120	0.6
577.22272	47.6
578.22662	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	577.1561
Annotation	6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin
Peak:m/z	Relative Intensity
50.07599	2.0
53.11330	2.0
56.93820	2.7
60.58891	1.9
71.01241	2.2
71.49094	3.9
72.50525	2.1
89.02323	2.8
96.95883	28.4
102.13702	2.4
119.04877	3.7
125.02329	4.6
129.74704	2.3
151.40689	2.4
209.09259	2.4
253.04695	2.4
267.06573	4.1
279.06525	4.7
281.08197	21.5
282.08435	2.6
291.06622	2.8
309.07544	6.3
312.06238	2.5
321.07742	2.5
332.15128	4.0
337.07156	41.2
338.07498	5.3
349.07013	2.9
367.08115	19.8
397.09286	4.0
457.11307	11.8
487.12198	4.4
577.15546	100.0
578.16003	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	577.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03324	1.0
59.01245	1.2
61.98697	2.5
63.48001	0.2
71.01241	0.5
71.49493	0.2
73.02806	0.4
79.01757	3.6
84.04024	0.2
89.02296	0.8
91.05402	0.8
96.95890	0.3
97.02821	0.4
99.00742	0.6
101.02297	0.5
107.04901	0.3
111.04398	2.8
119.04853	0.4
122.03578	0.2
123.04406	0.6
125.02338	0.6
135.03436	0.3
135.04413	5.2
136.05174	0.2
137.05966	0.2
142.38664	0.2
142.82780	0.2
145.06488	0.7
148.07930	0.2
149.02377	0.4
149.04459	0.3
150.03096	0.6
151.03946	1.3
152.04691	0.2
153.05467	0.7
155.08601	0.3
159.08084	0.5
161.02415	0.2
161.05997	0.2
163.03902	0.4
164.04704	1.7
165.05315	0.2
169.01332	0.3
169.10062	0.2
171.04411	1.2
171.10168	0.3
173.05995	0.4
177.01883	0.4
178.02597	0.4
179.03426	4.6
180.03838	0.2
182.07301	0.2
183.08083	1.7
186.06714	0.2
191.08171	0.2
192.04153	1.2
195.08145	0.2
197.04436	0.2
197.09604	1.0
199.07799	0.2
205.05037	0.6
206.07469	0.2
213.09186	1.0
224.03223	0.7
224.08408	0.2
237.09175	0.4
239.10750	3.5
240.11095	0.4
241.08659	3.5
242.09111	0.2
255.10268	2.0
268.07300	0.3
279.10281	0.7
281.08337	0.3
282.08786	0.3
283.09747	100.0
284.10095	8.7
287.02011	0.4
297.11349	0.4
315.01431	0.4
325.10791	1.5
339.25092	0.3
341.23206	0.3
355.24612	0.3
404.70117	0.2
435.09387	0.2
506.36212	0.2
517.30707	1.1
577.19391	1.2
578.18939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00306	0.3
59.01225	0.4
61.98698	3.7
63.02268	0.9
65.00188	0.7
83.01255	1.3
85.02817	0.7
91.01751	0.6
93.03360	1.9
107.01251	2.4
109.02805	0.7
111.20803	0.4
114.41315	0.4
117.03353	5.1
118.05373	0.4
118.52491	0.3
118.62564	0.4
119.04915	14.1
120.05247	0.8
125.02328	2.0
127.03874	0.4
132.02063	0.7
135.00764	1.3
143.04855	1.1
145.02853	15.7
146.03154	0.9
151.00275	4.4
152.00606	0.4
153.01793	0.6
157.06467	0.6
158.03641	0.5
159.04428	1.7
161.02357	1.0
161.05948	0.4
163.00305	2.2
163.03922	7.3
164.00984	0.7
165.01866	0.4
167.04907	0.7
169.01320	1.3
169.06520	1.1
171.04408	0.9
183.04437	0.9
185.06015	2.2
187.03917	3.5
189.05489	0.6
195.04366	0.5
197.05989	0.9
199.03958	1.1
201.05415	0.6
211.03896	3.0
212.04543	0.4
213.05548	2.1
217.04927	0.4
227.03455	25.1
228.03886	2.1
229.04997	10.4
230.05295	0.8
239.03433	1.4
240.04185	1.0
241.04984	1.5
243.02919	0.6
244.03055	0.4
251.64143	0.4
255.02962	40.1
256.03558	5.6
257.04510	5.9
258.04971	0.5
267.02875	0.5
283.02225	0.5
284.03262	44.0
285.04022	100.0
286.04398	7.2
291.08755	5.7
431.09946	1.8
577.13507	55.6
578.05573	0.7
578.13843	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	577.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23104	0.3
53.10522	0.4
57.03318	0.7
58.86162	0.4
59.01248	0.7
61.98704	0.9
63.02266	0.9
65.00182	0.6
71.49345	0.5
81.03288	0.4
83.01256	1.1
85.02837	0.6
91.01756	0.8
93.03342	2.2
95.01256	0.4
96.95890	0.5
107.01250	3.1
109.02806	0.9
117.03337	4.2
119.04918	14.7
122.00807	0.4
125.02341	3.7
126.02688	0.8
132.02016	0.6
135.00777	1.5
137.02452	0.4
143.04916	1.4
145.02859	18.6
146.03204	0.8
151.00275	4.4
153.01852	0.7
154.04170	0.5
157.06450	0.9
157.75206	0.4
159.04411	1.7
161.02345	1.5
162.02689	0.5
163.00291	2.1
163.03909	6.3
164.01053	0.8
167.05006	0.6
169.01410	0.6
169.06445	0.7
171.04453	1.1
183.04413	1.0
184.05060	0.4
185.06012	1.9
187.03914	3.4
189.05489	0.9
195.04507	0.7
196.05080	0.4
197.05968	0.5
199.03880	1.1
201.05417	0.5
211.03844	2.5
212.04701	0.6
213.01862	0.5
213.05383	2.0
214.02678	0.4
227.03448	25.6
228.03848	1.8
229.05019	10.1
230.05194	0.6
239.03497	1.9
240.04198	1.1
241.05014	1.7
255.02975	41.7
256.03525	6.3
257.04550	7.0
258.04770	0.5
267.02966	1.3
283.02719	0.5
284.03259	46.6
285.04025	100.0
286.04401	6.5
291.08777	4.4
325.10806	1.0
340.13025	0.5
355.15363	2.3
355.24829	0.8
413.08841	0.5
431.09720	1.9
523.94556	0.4
577.13507	52.8
578.13885	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	29.3
60.01556	0.5
61.98698	2.9
69.33475	1.4
69.33903	2.0
70.52568	0.5
71.01258	0.5
78.95774	29.5
79.60038	0.4
96.95899	0.4
122.98445	0.5
129.00073	0.4
152.99503	4.2
167.07085	0.8
168.04243	3.9
224.06880	10.8
242.07957	3.1
259.20618	0.5
275.20200	0.7
277.21719	100.0
278.22055	10.1
301.08582	0.4
502.29395	78.5
503.22574	0.8
503.29727	11.8
576.35614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
59.01249	21.3
61.98691	0.6
67.55246	0.2
77.61275	0.3
78.95772	6.6
83.04887	0.4
83.62462	0.2
99.07986	0.3
152.99481	1.4
156.35748	0.2
167.07068	2.8
167.56622	0.3
168.04242	1.9
224.06844	1.0
233.22659	0.6
242.07933	3.7
259.20593	0.6
275.20093	0.5
277.21713	100.0
278.19037	0.5
278.22089	10.8
344.08813	0.3
436.68225	0.3
502.29385	34.9
503.29730	5.2
577.22241	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	576.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17841	0.3
55.01748	3.4
55.29601	0.3
55.55508	0.3
57.03318	1.1
57.04637	0.3
59.01239	0.5
61.98700	100.0
63.42798	0.3
65.86668	0.3
69.23663	3.2
79.01753	3.4
97.02829	1.7
98.19846	0.7
99.00767	0.7
99.08030	8.4
99.08655	0.6
112.80442	0.3
123.08034	0.8
125.05968	0.9
142.48438	0.4
149.05995	3.3
152.04683	4.2
165.05489	0.3
166.06267	1.4
167.07048	69.1
193.05005	5.8
195.08188	0.4
209.11746	0.5
211.11469	0.6
211.13374	0.6
217.10216	0.4
225.31895	0.3
233.09697	0.4
246.00598	0.3
247.11223	0.9
252.07974	0.5
255.10207	1.1
267.06631	1.3
267.10345	0.6
269.11960	0.5
277.12314	0.4
277.21780	0.8
278.22153	2.2
279.22440	1.0
280.22687	0.5
295.09766	0.6
297.11407	0.6
307.09717	0.4
318.08981	0.7
321.11255	2.8
333.11383	0.9
339.17426	0.5
377.13492	0.4
383.16486	7.6
395.12930	1.7
409.14423	1.5
410.15335	0.9
473.16046	0.5
477.20715	0.9
552.70483	0.3
576.21161	0.8
577.22211	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	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.4
61.98699	100.0
69.24543	1.8
70.26027	0.2
71.01278	0.2
73.22065	0.2
80.69631	0.2
80.96381	0.5
167.06996	0.2
177.93477	0.2
255.09729	0.3
259.79782	0.2
277.21851	0.7
278.22180	1.3
279.22437	0.7
280.22769	0.5
372.59891	0.2
380.69888	0.2
468.19019	0.2
468.55807	0.2
507.44604	0.2
577.27057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.6
62.07667	1.3
63.34941	1.1
69.66100	1.0
71.01250	2.7
82.57883	1.1
89.02309	1.5
101.02340	3.8
110.58282	1.1
113.02361	1.9
113.04595	1.2
117.66439	1.1
209.11761	14.5
227.12904	2.3
235.08179	1.8
253.09299	12.4
279.23270	100.0
280.23700	9.9
291.19659	14.2
495.80853	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	574.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33271	0.1
55.31518	0.1
59.01242	0.4
59.84358	0.1
61.98700	100.0
62.98407	0.2
62.99128	0.2
63.19225	0.2
69.71550	0.8
71.01229	0.2
108.28150	0.2
162.75319	0.2
216.35629	0.2
253.88280	0.2
300.02966	0.2
301.03195	0.2
353.23700	0.3
403.76370	0.2
474.80887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	100.0
56.02090	1.2
58.44473	0.5
63.17241	0.5
69.19189	1.2
69.19582	5.1
73.06699	0.6
75.31989	0.6
79.01766	10.2
96.95915	0.5
99.00762	12.7
99.02512	0.5
99.08040	4.9
109.02870	0.6
125.05985	1.1
132.43076	0.5
141.75963	0.6
149.05981	5.6
152.04657	0.8
153.05469	1.8
166.06261	1.2
167.07051	15.6
168.07478	0.6
179.03455	0.6
193.04985	11.2
194.05324	0.9
209.11780	3.3
233.24158	0.6
293.13425	0.8
296.12173	0.7
306.10062	0.6
307.11450	0.5
309.16449	1.0
310.90634	0.5
313.12344	0.6
318.08945	1.2
321.12543	0.8
322.13660	1.3
337.12384	1.1
337.16025	4.1
338.08145	1.5
338.12964	1.0
339.13635	0.9
349.12186	1.0
353.10287	3.9
353.14923	4.2
364.14505	1.3
365.11520	3.7
366.12445	2.3
369.11511	1.3
381.15027	3.6
393.11475	1.8
394.11942	1.7
395.12573	0.7
401.15021	0.7
407.12894	1.7
408.13632	13.8
409.14273	4.8
413.10431	1.3
414.11145	1.0
415.17270	0.6
423.16043	23.2
424.16583	3.1
425.13870	2.1
429.13480	2.1
430.14249	3.4
431.14780	0.7
431.20233	3.1
438.14737	1.0
439.15445	2.1
440.16165	1.0
445.14450	2.1
446.15073	2.5
457.16946	1.3
459.15735	0.7
460.16492	0.8
461.17426	3.6
462.18219	0.9
469.12732	1.2
475.19141	8.9
476.19644	1.2
484.15186	7.6
485.15805	1.0
489.13455	2.1
490.14334	2.3
501.17123	0.7
503.14877	1.1
503.22104	1.1
505.16486	4.6
506.16754	1.0
516.19574	1.9
519.18201	0.8
531.21759	33.2
532.22034	6.5
552.89105	0.6
560.18359	1.1
575.20734	88.6
576.21008	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83630	1.2
58.00450	2.5
59.01250	77.0
61.98691	5.4
62.99590	1.5
67.53967	1.7
71.01250	34.0
71.48730	2.5
71.80924	1.6
72.99166	1.8
73.02823	11.3
79.95602	1.6
80.96378	13.4
83.04897	3.3
83.85874	1.4
85.02807	4.3
89.02314	65.0
89.37118	1.6
90.02685	1.9
94.97944	2.7
99.00757	18.2
101.02321	20.0
113.02293	6.4
119.03394	2.6
125.02311	4.1
131.03392	11.7
143.10675	5.0
147.68439	1.4
149.04454	44.2
161.04535	1.7
163.11166	2.1
165.12756	1.8
171.10196	6.3
191.05525	9.9
191.93810	1.7
209.11768	100.0
210.12132	9.3
221.06725	3.4
225.00658	4.8
227.12793	12.8
251.07616	3.9
311.09360	1.7
364.64215	1.6
366.50134	1.6
427.23877	1.7
571.27863	19.6
572.28918	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	573.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53682	1.0
54.11960	0.9
59.01252	2.6
69.23879	9.6
93.03347	3.6
96.95909	2.8
108.08939	1.0
121.02838	14.8
122.03638	11.0
123.04396	1.6
124.01517	1.6
125.02325	7.6
133.02840	2.3
136.01515	2.2
137.02281	1.5
147.04448	1.1
149.02338	55.5
150.03127	91.0
151.03697	4.1
161.02325	1.4
164.04688	12.3
165.05482	100.0
166.06262	41.5
167.06863	4.1
169.01329	1.8
175.03899	3.8
180.04193	6.9
181.08603	27.3
195.06555	78.0
196.06898	4.1
253.90582	1.1
264.55759	1.0
267.06717	1.8
269.08231	1.8
270.09070	1.2
271.88428	1.0
271.91711	1.0
285.07568	2.5
285.13370	2.2
298.08426	1.4
299.09238	1.4
313.10797	4.1
314.11499	5.1
315.11942	1.2
329.10226	2.3
329.13882	22.3
330.10715	1.3
330.14374	3.7
343.11832	38.3
344.12180	3.2
377.15970	2.0
378.75253	1.1
391.13928	3.0
525.13409	2.2
525.21277	40.2
526.21545	6.7
573.22284	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	573.2886
Annotation	Meliavolkinin
Peak:m/z	Relative Intensity
61.98696	1.3
69.12219	1.2
71.50573	2.4
80.03661	1.2
91.83127	1.3
99.92461	65.3
100.92466	2.7
102.63172	1.3
115.91956	29.2
116.92738	96.8
117.92761	5.2
134.51787	1.2
156.03709	1.5
171.94627	7.4
179.11838	1.4
196.50934	1.5
368.29776	1.5
525.66705	1.5
573.28876	100.0
574.29102	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89376	0.3
56.67921	0.3
58.02682	0.3
59.01233	0.5
63.02256	0.5
65.00187	4.1
67.01781	0.3
68.99677	0.8
71.49107	0.5
78.95779	3.4
83.01248	2.8
88.04757	0.3
96.96836	0.7
107.01269	5.5
125.02317	0.6
133.02855	0.8
141.06963	0.9
145.06476	2.6
146.06885	0.3
149.02336	3.6
151.00276	11.1
152.99469	3.8
164.01082	0.9
167.07007	0.4
169.06502	3.0
170.06798	0.4
171.04425	6.8
172.05145	1.3
183.08099	1.7
185.05951	0.3
187.07561	1.6
193.06511	0.7
211.07570	9.2
212.07877	0.7
213.05505	2.4
214.02681	0.4
214.06282	0.4
215.07251	0.3
216.94531	0.3
229.05017	0.6
237.05612	0.5
241.01094	1.6
245.05684	0.4
255.06596	100.0
255.23248	4.2
256.06934	8.6
315.04840	0.4
323.16611	0.5
325.14566	0.5
357.16995	1.6
389.17538	5.1
390.17862	0.7
391.22501	0.5
571.23090	3.8
571.29504	3.2
572.23633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20293	0.6
55.01777	0.8
56.21429	0.6
57.03342	0.9
59.01258	5.5
61.98702	77.9
62.98417	0.7
63.99142	1.1
67.84672	0.8
69.64642	3.0
69.65054	1.4
71.01250	8.3
72.99207	1.1
73.02826	2.4
81.86152	0.7
83.01283	1.3
85.02837	4.1
87.00770	1.3
89.02342	2.2
93.03348	3.4
95.01289	1.3
96.95887	15.0
99.00771	1.7
101.02335	6.2
109.02819	0.8
113.02311	3.0
121.02865	4.7
122.03630	14.7
123.00768	1.0
124.01553	0.7
125.02332	5.5
133.02863	1.9
134.03604	1.7
136.01572	1.1
137.02338	2.0
139.03856	0.7
149.02348	25.0
149.05992	2.7
150.03130	100.0
151.03479	4.2
161.02394	1.0
161.04417	0.8
164.04695	5.8
165.05479	94.7
166.05782	5.2
167.03465	1.3
169.01317	4.0
177.01926	1.4
180.04185	7.0
181.05016	3.3
192.80925	0.6
195.06557	54.2
196.07150	5.1
203.81332	0.7
211.09695	4.7
237.07510	0.7
259.01205	2.1
294.12732	1.4
309.14874	1.9
317.91479	0.7
344.12390	1.5
345.13071	0.7
359.15112	3.6
360.15326	0.7
373.15005	22.1
374.15399	1.5
407.11700	5.9
417.11655	2.2
521.20245	43.5
522.20514	8.2
569.14648	1.3
569.22095	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	570.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	0.3
61.98699	100.0
83.27213	0.3
98.20613	0.4
100.48559	0.3
103.35005	0.2
109.60605	0.3
127.03876	0.6
139.03877	0.3
145.02919	0.3
183.06613	0.4
205.29402	0.3
223.85048	0.3
229.46582	0.4
232.54208	0.3
242.50107	0.3
269.08295	0.3
299.09256	0.4
300.09259	0.4
507.29572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
67.81316	0.2
68.75445	0.2
70.25227	0.8
70.63733	0.2
84.82702	0.2
92.21541	0.2
95.86474	0.2
98.19835	0.3
103.23827	0.2
122.22254	0.2
125.02339	0.5
143.10677	0.4
145.02856	1.0
169.01350	1.6
209.11781	0.6
217.80968	0.2
265.01498	0.2
271.08322	0.3
305.61380	0.2
424.74176	0.2
507.29547	1.0
571.08508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1456
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-(6''-O-galloyl)-glucopyranoside
Peak:m/z	Relative Intensity
55.01759	0.3
59.01241	1.3
61.17905	0.3
61.98736	0.3
63.02266	2.4
65.00198	0.8
67.01762	1.5
68.99680	0.7
69.03326	1.4
69.24258	0.7
69.24670	2.4
71.01248	4.8
71.46744	0.3
72.99167	0.6
73.02806	1.0
79.01751	1.9
81.03328	1.2
83.01250	1.1
85.02820	1.8
87.00770	0.9
88.58094	0.3
89.02291	0.4
91.01764	11.5
92.02019	0.4
95.01268	2.1
97.02821	2.0
98.19781	0.6
99.00758	0.3
101.02328	2.5
107.01268	13.2
108.02100	0.4
109.02834	0.8
109.99972	0.4
111.00750	2.5
113.02328	2.2
122.03632	6.0
123.00768	18.1
123.04373	0.4
124.01593	1.9
125.02328	71.5
126.02653	2.1
127.00236	0.7
136.98682	1.9
137.02327	1.2
139.00276	5.5
139.03923	0.4
140.01057	3.8
141.01826	2.4
148.01530	0.4
149.02312	0.5
151.00267	14.1
151.03845	0.7
152.00652	0.5
153.01802	1.6
161.02310	0.4
163.03889	0.6
166.02631	0.6
166.99722	0.4
167.03439	0.6
168.00552	4.9
169.01329	91.9
169.06487	7.5
169.10127	0.8
170.01674	4.2
170.06825	0.6
171.08049	3.2
177.01855	0.3
179.03328	0.8
181.05013	0.4
193.01337	0.9
193.06514	0.4
193.98497	2.7
194.99110	0.5
195.02878	0.6
195.08052	1.6
209.04507	0.4
211.02402	2.4
211.07622	1.0
213.09137	27.8
214.09448	1.9
223.02367	0.5
239.07080	17.4
240.07436	1.0
241.03366	1.5
253.03490	1.4
257.08163	2.8
278.82370	0.3
300.02713	0.5
313.05630	29.8
314.06009	2.3
365.10098	0.4
401.07291	0.3
416.99603	0.4
527.15540	100.0
528.15887	17.7
553.13635	3.0
571.14520	62.9
572.14819	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	569.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.2
57.03321	4.4
62.69553	0.4
68.99683	0.7
71.29273	1.0
79.01752	3.7
79.05350	0.7
87.04362	0.5
99.08030	0.9
109.02850	0.8
121.06481	0.7
124.01580	1.3
137.02330	1.5
137.06003	0.6
139.03906	23.5
147.04443	0.5
149.06029	4.4
151.00223	0.5
151.03897	2.1
155.08658	0.6
159.08025	1.1
161.05995	1.8
165.05519	0.8
166.06255	1.0
167.03415	34.7
167.07054	5.4
168.03770	1.7
171.04439	1.4
173.09650	0.7
177.01894	0.8
179.03421	10.4
180.04088	0.8
182.05746	1.4
183.08051	1.3
185.66727	0.5
193.04997	7.1
194.05774	11.2
198.05429	0.8
211.11212	1.0
226.04785	3.3
253.12318	9.8
254.12778	0.7
255.10175	1.2
271.09738	6.4
272.10049	0.7
281.74301	0.5
297.11316	100.0
298.11685	11.1
298.14923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.2
57.03323	11.0
59.01241	2.0
61.98703	1.5
63.02272	3.7
64.02950	0.6
65.00189	14.5
68.99695	1.6
72.89510	0.6
79.01762	20.5
81.03335	3.1
82.04164	0.8
83.01255	14.4
83.01725	1.0
87.04398	1.1
93.03336	9.9
95.04900	1.7
97.02829	0.7
99.04429	0.7
99.08037	15.7
99.25812	0.5
107.01277	21.5
108.01595	0.8
109.02819	2.8
109.06454	0.7
111.04397	2.7
113.02356	0.9
117.03337	1.8
119.04915	86.2
120.05239	3.3
121.06451	2.0
123.04399	8.8
123.08037	1.2
125.02325	19.5
125.05974	1.0
127.03917	0.7
130.04150	0.8
133.02872	1.2
137.02361	1.0
139.03935	0.7
143.04919	1.4
145.02847	4.9
145.06465	1.2
147.04350	1.3
149.02342	1.1
149.05983	21.0
150.03133	1.2
150.06358	0.8
151.00272	56.6
152.00597	2.0
152.04642	1.8
157.06522	1.1
159.08064	1.9
159.68164	0.6
161.06026	1.6
163.07552	0.7
165.01845	5.1
165.09100	7.2
165.30450	0.6
166.02422	1.1
167.01976	1.0
167.03415	17.5
167.07048	49.5
168.03813	0.7
168.07356	2.3
169.01347	2.1
169.04988	1.9
169.06509	1.3
171.04411	8.0
171.08095	0.6
172.04900	0.7
173.09683	1.5
177.01857	4.9
178.02647	1.3
183.08076	2.8
185.06018	2.2
187.03929	3.7
187.07507	0.7
191.03375	0.8
193.01366	3.1
193.04997	54.9
194.05345	3.2
199.07602	1.7
202.98734	0.7
207.06435	0.8
207.08197	1.1
209.08127	32.8
210.08482	1.6
211.06021	0.7
211.07693	4.8
211.11145	1.5
223.11122	0.7
225.11195	0.8
227.07104	2.8
227.10637	0.8
229.05118	0.7
230.02559	0.8
253.12312	10.1
254.12784	1.1
255.06601	36.0
256.06903	3.2
263.07199	1.0
269.08289	1.3
269.11777	3.4
271.06116	79.3
272.06445	6.8
291.10217	1.2
297.11307	100.0
298.11655	9.7
313.10812	86.5
313.14645	1.2
314.11182	7.1
333.11429	1.5
357.11389	5.1
359.09106	3.6
373.10742	1.6
375.12289	2.0
399.15887	1.6
401.09598	3.1
443.14697	1.0
569.18152	9.5
570.18311	1.8
578.98688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.6
58.35143	0.5
59.01240	0.6
60.61753	0.5
61.98704	1.9
69.03321	1.9
83.01292	0.6
95.01270	0.8
97.02823	1.2
98.19762	1.1
103.59437	0.6
105.50327	0.6
107.01285	1.3
109.02834	0.9
115.31683	0.6
121.06480	2.0
123.00781	0.8
124.01575	1.0
125.02333	54.2
126.02646	1.1
137.02298	0.9
139.03894	2.4
149.02261	0.7
150.03084	0.9
155.03485	0.7
155.87485	0.6
161.02345	5.5
161.09630	2.8
162.03111	0.7
167.03400	2.1
169.01332	100.0
170.01656	4.2
171.10197	0.8
177.01797	1.0
193.01318	3.3
205.08627	11.7
215.03488	0.7
217.08665	1.4
221.04657	1.0
245.08159	1.0
259.09729	0.7
367.11819	2.5
380.04111	0.7
385.12881	9.8
386.13098	2.3
411.10855	2.8
414.06375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.8
60.67659	0.3
61.98705	4.7
67.01765	0.4
69.03333	2.2
69.49190	0.4
71.01251	2.3
73.02817	0.5
81.03358	0.7
83.01268	0.7
89.02319	4.8
97.02818	2.1
99.00769	1.1
101.02319	1.4
105.03357	0.6
107.01263	0.5
107.04852	0.4
109.02849	1.1
111.04389	0.5
121.06465	0.9
123.00790	1.2
124.01579	1.2
125.02339	57.6
126.02659	1.8
131.03409	0.8
137.02374	1.1
139.03899	1.5
149.04491	2.4
150.03137	0.4
161.02356	4.5
161.09622	2.3
163.07622	0.5
165.01828	0.8
166.99776	0.7
167.03429	1.4
169.01340	100.0
170.01678	3.3
170.32832	0.4
171.18964	0.4
173.50800	0.4
175.03889	0.7
176.01122	0.5
177.01862	0.9
177.05386	0.4
179.03304	0.4
191.05507	0.7
193.01370	3.5
194.01416	0.4
203.03441	0.5
205.01318	0.4
205.08641	9.5
206.08955	0.5
215.03377	0.4
217.08638	1.4
221.04501	0.9
229.62584	0.5
245.08142	1.5
319.04599	0.6
349.10709	0.5
367.11810	1.5
385.12961	9.8
386.13284	1.3
411.10760	1.4
537.13904	0.8
543.71417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34525	1.7
61.98711	8.3
71.06068	3.3
78.08762	1.7
83.01265	1.7
85.16488	1.7
105.03347	5.0
107.04907	3.4
109.02847	8.7
111.04410	3.9
116.92735	4.6
119.04948	1.9
121.06509	1.7
123.00775	2.4
123.04414	5.2
125.02343	20.3
133.02866	3.8
137.02335	10.3
139.03876	10.5
147.04355	4.6
149.02365	2.2
149.05995	11.3
151.03915	25.2
161.02335	30.1
161.06015	2.0
163.00307	3.9
163.03870	1.5
164.01064	11.7
165.01842	40.0
166.02229	2.1
167.03397	5.4
169.01338	15.7
175.03854	9.0
176.01053	3.6
177.01862	47.7
177.03336	3.6
177.05548	2.4
178.02310	1.7
179.03343	3.1
189.01852	4.6
189.05495	5.7
191.03435	40.6
192.03761	2.8
193.01276	2.8
193.04988	19.0
203.03410	29.0
203.07098	1.5
204.03989	3.2
205.01346	17.4
205.05002	7.1
215.03427	1.7
217.01413	4.0
217.05055	10.6
219.02956	5.0
221.04471	3.1
232.03879	1.7
233.04501	4.5
236.03246	10.6
237.04010	87.1
238.04370	6.3
247.02580	1.7
247.06090	2.5
249.03996	3.7
267.34631	1.7
271.02432	2.2
277.03598	4.0
277.76855	1.6
311.09335	2.0
316.02225	3.8
317.02567	4.0
337.07074	3.4
345.06250	3.6
355.08206	6.8
356.08304	2.3
357.06274	3.7
373.09259	2.0
374.89307	1.9
385.12213	1.5
399.07169	43.8
400.07590	7.0
417.08218	100.0
418.08572	15.0
443.06363	3.7
506.10153	6.5
560.00775	1.6
569.09406	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	568.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97407	0.3
61.98702	100.0
69.43352	2.5
117.26334	0.3
145.02870	1.3
167.07101	0.4
193.38988	0.3
199.05957	0.4
211.11324	0.4
212.11693	0.4
255.10358	1.0
256.10663	0.7
269.08264	1.6
270.08664	1.2
297.11310	1.9
298.11630	1.7
413.23932	0.4
431.24615	0.4
450.62134	0.3
505.28326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36811	0.2
61.98702	100.0
63.23825	0.2
70.50750	0.4
70.51106	0.6
75.55219	0.2
76.71062	0.2
99.39870	0.2
119.04930	0.3
145.02884	0.4
151.15414	0.3
167.07086	0.3
176.89450	0.2
191.49889	0.2
212.99448	0.2
297.11456	0.3
297.14731	0.2
403.82208	0.2
505.28372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60247	0.3
57.03318	0.3
59.01252	1.5
61.98702	100.0
83.01269	0.3
98.19840	0.4
99.04404	0.3
99.08039	0.7
110.72070	0.2
119.04887	0.2
128.03404	0.3
143.04594	0.4
145.02838	0.7
149.05989	0.2
163.03975	0.2
167.07031	2.9
167.08218	0.3
168.04277	0.3
172.02287	0.2
183.06488	1.1
193.05005	0.5
222.09697	0.3
240.10548	0.2
253.12459	0.4
272.09146	0.3
277.21588	0.2
282.15695	0.2
285.20886	0.3
297.11307	1.6
376.22720	0.2
413.23550	0.2
431.24954	0.2
505.28244	0.9
569.20898	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69878	0.3
53.19285	0.2
59.01249	1.4
61.96096	0.2
61.98703	100.0
62.98409	0.3
69.82306	0.8
69.82716	0.5
71.01260	1.5
72.99152	0.3
73.02828	0.6
79.95626	0.2
83.01273	0.4
85.02831	0.7
89.02312	0.6
93.03327	0.5
96.95887	8.0
98.19788	0.2
101.02327	1.4
109.02834	0.3
113.02332	0.5
121.02877	0.8
122.03650	2.2
123.00806	0.3
125.02328	2.2
131.50938	0.2
133.02850	0.4
134.03658	0.2
136.01540	0.4
137.02284	0.3
138.97006	0.3
141.01991	0.3
149.02365	4.5
149.06027	0.3
150.03137	17.8
151.04019	0.3
164.04735	0.6
165.05493	16.4
167.39874	0.2
169.01309	1.3
177.01767	0.3
180.04211	1.3
181.04980	0.5
182.33727	0.3
195.06567	9.0
195.08336	0.5
196.07504	0.6
211.09792	0.7
240.28679	0.3
259.01379	0.8
294.12772	0.5
299.05545	0.3
309.15112	0.8
344.12570	0.3
355.61877	0.3
359.15076	0.8
373.15005	3.6
407.11679	3.0
417.12027	0.7
507.26923	0.3
508.27518	0.4
521.20264	8.1
544.64874	0.2
569.15729	1.6
569.24750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10389	0.2
59.01255	0.9
61.98703	100.0
64.90710	0.2
71.01245	1.0
75.00732	0.2
77.82214	0.2
83.01269	0.2
87.00764	0.4
88.98678	0.3
89.02329	0.9
97.03419	0.2
97.09313	0.2
99.00739	0.2
99.32481	0.2
101.02361	0.6
125.02330	1.1
131.03435	0.2
137.02356	0.3
149.04454	0.4
150.03207	0.2
165.05499	0.4
167.03485	0.2
169.01338	0.2
191.05577	0.3
192.58896	0.2
229.87720	0.2
241.45613	0.2
279.08560	0.2
306.07706	0.2
330.54718	0.2
340.76697	0.2
371.24533	0.5
461.20532	0.3
508.27182	0.5
539.23541	0.3
551.22528	0.4
569.20526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	5.5
61.98680	5.3
71.08570	3.0
71.29117	5.0
104.01036	3.5
118.22670	3.3
124.01505	4.4
125.02319	13.4
151.00235	7.1
161.02458	4.4
169.01340	5.0
177.01875	3.5
214.02580	5.1
242.02092	6.0
259.02521	4.8
270.01846	3.4
271.02469	26.9
285.04111	26.2
287.01929	23.7
315.01230	4.7
316.02142	69.2
317.02716	4.9
338.98032	3.3
505.09854	100.0
506.10117	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	568.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99709	39.4
71.49582	37.9
85.52467	26.4
123.00777	69.2
125.02337	29.8
139.00291	55.8
151.00276	65.8
163.00290	31.3
164.03467	32.5
165.01830	46.5
166.99786	46.6
169.01276	31.1
178.99773	70.3
193.01353	39.8
203.03485	35.9
205.01334	31.2
211.40521	27.2
218.00792	29.7
221.01016	29.8
243.02872	37.2
287.01871	31.2
303.01324	44.3
316.02124	96.0
317.02930	32.3
326.03253	40.9
343.90326	28.4
344.04114	39.8
352.00763	31.4
370.01776	43.9
387.05679	28.3
479.08270	88.6
550.08301	56.0
568.09210	100.0
569.10065	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	567.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.0
56.83184	0.3
57.03323	6.8
60.70395	0.3
68.99722	0.4
71.06697	0.5
71.07019	0.3
79.01759	9.8
79.05396	0.6
80.02085	0.4
87.04389	0.9
88.41381	0.3
97.02825	1.3
99.08034	9.5
105.03358	0.6
109.02843	1.0
115.05467	0.3
121.02869	0.6
121.06491	1.1
122.03702	0.4
123.08034	0.8
124.01557	9.3
125.05952	0.7
128.10358	0.3
133.06493	0.4
136.05214	0.3
136.64015	0.3
137.02299	0.4
137.05977	1.0
139.03908	12.6
140.04184	0.5
147.04408	0.7
149.05984	9.6
150.03134	1.3
150.06410	0.4
151.00259	0.9
152.01099	0.5
152.04683	1.3
155.08540	0.5
159.08081	1.3
161.05968	0.7
162.06728	0.4
163.03911	0.4
165.01848	1.1
166.02618	1.3
166.06265	0.9
167.07053	42.0
168.04149	0.4
168.07368	2.0
171.04419	3.9
173.09634	1.2
177.01765	0.3
178.02664	1.1
181.04974	10.2
181.06563	0.7
182.05522	0.4
182.07227	0.4
183.06570	1.0
183.08096	2.0
188.86926	0.3
191.03439	0.9
193.04987	14.1
194.05264	0.6
195.07993	0.3
196.08846	0.5
197.09619	0.3
200.08246	0.7
206.05658	0.5
209.08076	0.4
211.11203	2.3
225.12811	0.9
227.07100	0.3
229.12231	0.3
233.09694	0.6
235.11307	0.5
237.05536	0.3
241.08636	0.3
253.05051	0.4
253.12302	19.2
254.05524	0.4
254.12625	1.2
255.10236	1.6
269.08191	6.2
270.08731	0.5
281.08353	0.5
282.08920	0.4
295.09714	1.0
297.11307	100.0
298.08258	0.6
298.11639	9.8
299.10641	0.5
312.11453	0.4
313.12344	0.4
340.11038	0.7
341.11792	3.3
355.13336	1.6
357.11356	1.8
373.14325	2.4
383.16388	2.0
385.14514	3.3
386.14935	0.3
399.12305	1.8
427.15292	0.8
506.81735	0.3
567.20209	38.2
568.20532	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	567.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
55.98879	0.3
57.03324	4.8
59.01213	0.3
61.98667	0.4
65.00192	1.7
66.91891	0.3
68.99692	1.0
71.04882	3.1
77.03829	1.2
79.01311	0.7
79.01765	12.2
83.01240	1.4
85.06425	0.4
87.04379	0.8
93.03336	0.4
93.57081	0.4
95.04886	1.4
97.02828	4.7
99.08031	8.8
104.91142	0.4
109.02824	1.4
113.05975	0.6
115.05379	0.4
119.04892	1.1
121.02842	5.6
121.06462	0.7
122.03644	0.7
123.07992	1.0
125.02295	0.5
125.05974	0.7
130.04108	0.5
131.19952	0.4
137.02353	1.0
137.05971	1.8
137.62581	0.4
138.03201	0.4
139.02832	0.7
139.03906	11.5
141.06992	0.7
141.60684	0.3
143.04858	0.4
145.06522	1.9
147.04424	2.3
149.05977	6.5
150.03110	1.6
150.06290	0.5
151.00276	0.7
151.03847	0.5
152.04657	0.8
153.05467	0.5
155.08559	1.4
159.08037	1.7
165.00514	0.7
165.01848	10.3
165.09103	2.5
166.02359	0.5
166.06387	0.6
167.07051	30.6
168.04120	0.8
168.07390	1.5
169.06471	1.2
171.04433	7.8
172.04955	1.0
173.09607	1.5
178.02670	2.3
179.03429	0.5
180.04257	0.5
181.04965	4.3
181.06419	0.6
182.05614	0.5
183.02957	0.6
183.06525	2.9
183.08072	4.5
186.06813	0.5
191.03375	0.8
193.03345	0.6
193.04994	8.2
194.05458	0.3
196.08597	0.4
197.09671	1.3
199.07509	0.9
200.08322	0.6
201.09149	0.9
207.08083	0.6
209.06169	0.7
209.08118	9.8
210.01688	0.9
210.06746	0.5
210.08531	0.5
211.11302	1.6
223.07607	0.6
225.09132	7.7
226.09444	0.6
227.07063	3.8
241.08713	2.2
251.07254	0.5
253.12331	10.4
254.12689	1.0
255.10284	1.5
267.06573	0.6
269.08173	86.7
270.08563	6.9
271.06146	0.8
275.10864	0.4
281.08078	0.5
283.09695	2.6
295.09796	0.8
297.11307	100.0
298.11652	9.5
299.12894	1.0
355.13266	2.3
357.11316	1.1
373.14435	0.9
383.16379	0.8
399.12213	2.5
427.15723	0.7
471.34821	1.0
523.21277	0.8
567.20245	17.2
567.28699	0.7
568.20593	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	567.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.1
56.83204	0.2
57.03054	0.4
57.03323	6.0
59.01250	0.4
59.15993	0.3
61.98705	0.5
65.00180	0.9
68.99672	0.8
71.04887	3.6
71.40800	0.4
77.03827	1.0
77.53661	0.2
79.01759	10.6
79.05416	0.4
81.03329	0.5
83.01244	2.2
87.04385	0.8
93.03316	0.3
95.04889	2.1
97.02818	2.9
99.08038	9.1
100.08350	0.4
101.03813	0.4
109.02826	0.9
109.06463	0.5
111.04407	0.4
119.04913	0.4
121.02843	5.3
121.06516	0.6
122.03604	0.9
123.08087	0.6
125.05953	0.5
130.04167	0.3
131.04953	0.3
137.02322	0.7
137.06004	3.4
138.03133	0.4
139.03914	10.5
140.04222	0.4
141.06996	0.3
143.04965	0.4
145.06467	1.6
147.04411	1.3
149.05983	4.9
149.23512	0.3
150.03171	1.7
151.03934	0.4
152.04749	0.8
153.05463	0.7
155.07074	0.3
155.08566	1.1
159.08093	1.5
161.05991	0.6
163.03900	0.3
165.01865	6.6
165.09111	2.9
167.07059	25.9
168.07402	1.4
169.06522	0.4
171.04443	5.6
172.05145	0.5
173.09639	1.3
175.07590	0.4
178.02631	2.4
179.03406	0.7
180.04228	0.9
181.04988	9.1
181.06557	0.6
182.07294	0.3
183.06493	0.7
183.08049	3.9
185.05991	0.4
191.03468	0.8
193.04990	6.8
194.05400	0.3
196.08752	0.4
197.09711	0.9
199.06062	1.0
199.07668	0.4
200.08287	0.3
201.09140	0.5
206.05836	0.3
207.08121	0.3
209.08128	15.2
210.01627	0.8
210.08514	0.9
210.10318	0.3
211.11174	1.7
223.07565	0.4
225.09180	5.0
225.12805	0.8
226.09564	0.5
227.07039	2.3
229.12250	0.4
237.09059	0.3
238.09999	0.4
241.08682	1.0
251.07123	0.7
253.12318	15.4
254.12683	1.6
255.10272	1.0
267.06528	0.3
269.08179	74.8
270.08530	6.1
295.09769	0.3
297.11307	100.0
298.11655	8.7
299.12863	2.1
313.12357	0.6
355.13379	3.2
356.13724	0.6
357.11420	2.1
373.14429	2.1
383.16437	0.8
385.14569	0.4
399.12335	2.2
400.12323	0.3
427.15408	0.3
567.20313	5.3
567.29065	0.6
568.20734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.6
57.03323	5.9
60.87564	0.3
61.20621	0.3
61.98683	0.7
67.48751	0.4
68.99677	1.2
69.68665	0.4
71.06254	0.6
71.06622	0.3
79.01764	7.2
79.05417	0.4
83.00760	0.4
83.01255	7.4
87.04385	0.8
99.08036	2.3
99.42233	0.3
101.03872	0.4
109.02795	0.9
109.06461	2.0
111.04391	0.4
117.03433	0.4
121.06480	1.0
125.05952	0.7
130.04167	0.3
137.02339	1.7
138.03117	1.0
139.03899	6.8
140.04262	0.4
147.04430	0.4
149.05992	7.9
150.03143	1.2
152.04689	0.5
153.05498	1.2
155.07027	1.7
155.08484	0.7
157.06509	0.4
159.08078	0.8
161.06030	0.5
166.02620	1.0
166.06290	0.7
167.07053	6.4
168.07378	0.5
170.02168	0.7
171.04424	11.5
172.04765	0.5
173.09660	1.0
174.57780	0.3
178.02693	0.6
181.04980	49.8
182.05304	2.9
183.08028	2.0
184.03619	0.4
185.05995	0.4
191.03256	0.5
193.04993	10.6
194.05342	0.8
196.08792	0.7
197.09686	0.6
198.06625	0.5
199.06055	3.1
200.08337	0.5
206.05707	0.4
211.11185	1.2
213.50464	0.3
225.05638	0.4
225.12840	0.5
226.06258	0.6
237.09155	0.7
253.12317	13.5
254.05510	0.3
254.12683	0.9
255.10236	1.2
258.05240	0.4
269.08176	49.7
270.08530	4.2
279.19623	0.7
282.09000	0.4
297.11307	100.0
298.11639	10.3
355.13367	3.6
356.13666	0.7
373.14404	6.8
374.14828	0.7
399.12390	1.5
401.17554	1.1
461.25616	0.6
549.19501	0.4
567.20203	1.5
567.29578	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	567.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86749	0.3
59.01243	0.4
61.98705	5.3
65.00216	0.4
67.48882	0.3
71.01241	0.4
71.07048	0.6
74.56042	0.3
83.01268	0.4
100.68755	0.3
107.01286	1.4
108.53214	0.3
109.02873	0.4
121.02847	23.0
122.03176	1.0
124.01543	1.9
125.02296	0.8
130.10475	0.3
135.00797	0.6
136.01614	0.6
137.02338	0.8
143.04967	0.3
148.01546	0.6
149.84042	0.3
151.00282	3.6
152.01070	1.2
155.26260	0.3
161.02460	0.4
161.04097	0.4
163.00298	1.3
164.01060	1.9
169.01344	0.7
171.04453	0.6
175.03973	0.5
178.99797	5.8
187.04015	0.8
191.03635	0.3
199.03938	0.7
201.01785	0.4
203.03445	2.1
204.04239	0.5
213.01878	0.5
214.02664	6.6
215.03291	2.2
217.01308	0.4
227.03488	1.3
231.02884	1.1
232.03659	0.5
241.01318	0.5
242.02188	5.2
243.02931	4.5
244.03612	0.4
258.99918	0.6
259.02484	7.9
260.02878	0.8
270.01682	6.2
271.02484	36.2
272.02823	3.2
287.01974	28.3
288.02338	3.5
315.01486	16.7
315.05264	0.5
316.02225	100.0
317.02716	12.1
318.03607	0.4
445.07709	4.9
446.07932	0.6
567.11426	47.0
568.11780	8.6
568.19336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41441	0.3
53.70628	0.4
54.36248	0.4
55.01756	1.8
57.03090	0.5
57.03327	5.7
59.01254	1.4
61.98698	1.1
68.99683	1.8
71.01242	2.7
71.13240	0.9
71.56951	0.4
73.02821	1.4
79.01756	7.0
79.05382	0.5
83.01251	7.8
85.02811	1.4
87.04399	0.8
89.02308	0.7
90.01156	0.4
92.50391	0.4
97.02821	0.6
99.00735	0.7
99.04396	0.8
99.08026	5.0
101.02361	1.0
109.02851	1.3
109.06448	2.5
111.04379	0.8
113.02316	0.7
113.05946	0.8
115.03894	0.6
121.06457	0.6
123.66927	0.5
124.01522	0.8
125.02334	0.7
125.05965	1.6
126.03105	0.6
127.07537	1.5
133.04909	0.9
137.02316	2.2
137.05978	0.6
138.03079	0.8
139.03908	7.9
146.10938	0.4
147.04417	0.6
149.05972	7.8
150.03183	1.0
152.04715	1.0
153.05495	3.5
155.07030	5.1
155.08284	0.7
159.08078	0.6
162.06755	0.5
162.71788	0.5
166.02592	1.8
167.07054	7.1
168.04236	0.5
171.04431	13.3
171.05911	0.8
172.04779	1.0
173.09641	1.0
181.04977	53.5
182.05334	2.6
183.06555	1.0
183.08099	1.7
193.04976	9.9
194.05238	0.6
197.09689	0.7
198.06804	0.5
199.06032	10.6
199.16960	5.8
200.06473	0.7
200.08339	1.0
200.17365	0.5
211.11208	1.8
223.07471	0.6
225.12856	0.6
234.57625	0.5
235.08194	1.2
235.11060	0.4
237.09032	0.5
238.09868	0.7
251.24840	0.5
253.12280	13.8
254.12669	1.2
255.10133	1.2
258.05521	0.5
265.31351	0.5
267.10397	0.8
269.08170	47.1
270.08615	3.7
279.19672	1.9
293.36981	0.4
297.11298	100.0
298.11664	9.4
302.08551	0.5
323.36563	0.4
355.13278	3.8
367.12421	4.8
373.14426	7.1
374.14645	0.8
383.11899	0.6
383.16428	0.5
385.13412	1.2
399.12421	1.5
401.17508	1.6
448.13571	0.6
461.25504	1.8
567.20441	1.7
567.29584	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	566.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23920	0.2
55.72354	0.1
59.00910	0.1
59.01264	0.4
61.98701	100.0
67.14319	0.1
69.25308	1.3
89.02303	0.3
98.20768	0.1
101.02319	0.2
106.92656	0.1
118.78371	0.1
125.02332	0.1
147.55019	0.1
356.99603	0.2
406.25128	0.1
505.25049	0.2
506.26187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52874	0.9
53.85060	1.1
55.01751	1.1
58.00459	3.3
59.01249	69.8
59.17450	1.0
60.01578	1.3
70.44708	0.9
71.01252	47.9
71.36525	1.8
72.01580	1.1
72.93108	1.3
72.99151	2.6
73.02818	17.0
75.13557	1.0
79.03168	1.0
83.01243	1.5
85.02818	4.3
87.00758	1.3
89.02314	100.0
90.02664	1.2
97.02853	1.1
99.00756	31.8
101.02321	40.1
113.02338	10.8
119.03385	6.0
125.02348	5.1
131.03401	17.1
143.03394	3.4
149.04457	82.9
150.04808	1.5
161.04503	6.4
166.30092	1.0
179.05428	2.0
191.03958	1.8
191.05537	18.8
193.04959	2.6
197.99425	1.0
221.06584	9.4
233.06358	1.0
251.07695	13.1
293.08795	3.1
311.09787	5.4
505.26559	76.0
506.26892	10.5
565.16882	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	566.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.4
63.71488	0.4
64.64390	0.5
65.00179	1.2
70.51083	1.6
71.01239	0.4
75.00721	0.6
78.07365	0.4
85.02814	0.8
89.02317	0.6
93.03347	0.6
104.46258	0.6
107.01257	2.2
113.02297	0.7
120.79356	0.5
124.01562	0.8
125.00514	1.2
125.02319	1.7
139.99272	1.9
150.98427	0.6
151.00288	11.8
152.00975	0.8
153.00108	3.6
163.00267	0.6
165.05437	0.8
169.01329	1.2
178.98004	2.2
178.99759	7.3
179.98804	3.6
180.99490	1.8
185.54770	0.6
192.00557	0.7
193.01326	0.6
197.11731	0.8
199.03952	1.1
206.97438	0.8
227.03510	1.5
230.00417	1.1
241.10791	0.5
242.02167	1.7
243.02895	4.5
255.02921	1.7
257.99832	4.0
259.00635	1.2
270.01605	1.4
271.02484	17.4
272.03003	1.2
275.00119	2.5
276.00696	0.5
284.11301	0.5
285.99414	3.4
287.00140	6.7
288.00653	0.6
299.01926	5.8
300.02713	5.1
301.03098	0.8
302.99664	9.7
304.00125	1.4
313.06787	0.7
313.99106	1.5
314.07590	0.6
314.99692	12.3
315.99966	0.8
331.99945	92.4
333.00635	34.0
334.01053	2.6
404.11826	1.0
420.03992	0.9
447.09381	0.6
467.60349	0.5
479.06525	100.0
480.06870	15.6
566.09784	11.2
566.19055	1.3
567.10199	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	565.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.0
57.03331	5.1
57.21395	0.8
70.13930	0.8
71.26010	1.5
76.23193	0.9
79.01758	9.6
87.04439	1.1
97.02827	2.0
97.57423	0.8
99.08029	15.1
99.51575	0.9
112.27341	0.8
122.03632	5.4
137.05975	9.9
149.05994	10.4
150.03220	1.1
152.04695	3.6
165.40138	0.9
167.07047	100.0
168.07414	4.2
171.04419	2.7
173.09631	1.2
179.06975	5.1
183.08022	1.7
193.04959	12.9
200.08211	0.9
211.11292	1.6
253.12300	9.5
265.08652	6.5
267.10187	2.7
280.10974	1.6
297.11304	57.8
298.11682	4.2
371.16476	3.5
385.14548	1.6
397.14496	1.7
481.22250	1.0
565.22308	28.7
566.22498	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	565.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.2
57.03318	1.7
63.71596	0.3
64.50778	0.3
68.05666	0.2
68.99700	0.7
70.23515	0.2
70.23860	1.1
79.01777	0.6
83.01255	1.9
97.02810	2.1
97.06454	0.3
99.08035	14.6
100.86217	0.2
110.38599	0.3
111.04380	0.3
122.03593	1.5
123.08031	0.8
125.05991	0.9
136.05145	0.4
137.05983	11.5
138.06313	0.7
142.38486	0.3
149.05948	0.7
151.07573	1.9
152.04698	5.3
159.83157	0.2
167.07050	100.0
168.07382	4.7
169.10133	0.3
171.04437	1.6
189.05513	0.4
190.05220	0.3
193.04944	1.4
196.08827	0.4
201.38556	0.2
211.11237	5.4
213.73860	0.2
239.10715	0.5
251.07370	0.3
255.10233	15.6
256.10654	1.2
262.36615	0.3
265.08749	1.0
265.12155	0.5
267.10266	2.3
269.11801	1.1
291.10266	1.2
293.08325	0.7
294.09015	0.3
295.09744	0.2
297.11301	37.6
298.11673	3.6
309.11310	5.9
310.11673	0.6
397.14337	2.6
398.14612	0.5
462.66949	0.2
547.21161	0.8
565.21826	1.3
566.21942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16770	0.5
53.32535	0.4
55.01758	3.6
56.02088	0.4
57.03321	7.0
58.27191	0.4
68.99693	1.0
69.28945	3.7
70.87128	0.4
79.01760	10.8
86.81396	0.4
87.04393	2.6
97.02811	1.0
97.06494	0.7
99.08032	16.2
100.08342	0.5
109.02833	1.3
109.93279	0.4
111.04429	0.6
113.06004	1.0
121.06477	1.6
122.03647	2.9
123.08070	1.0
125.05969	1.2
126.95509	0.5
136.05247	0.4
137.05988	9.9
147.04433	0.8
149.05984	12.6
150.03128	1.7
150.06335	0.5
152.04668	2.6
159.08029	2.1
161.05965	1.0
164.04659	0.5
166.06232	0.7
167.07050	85.2
168.07394	3.8
171.03052	0.7
171.04411	5.9
173.09659	2.0
178.02597	1.6
179.07060	1.9
183.08087	2.6
193.04988	17.5
194.05299	0.8
197.09714	0.6
197.11734	0.4
200.08380	0.7
209.08075	0.6
211.11176	2.1
224.08299	0.7
229.12233	0.6
233.09596	0.6
237.09206	0.6
238.09839	0.5
239.10764	2.2
252.07904	0.7
253.12309	14.3
254.12738	1.4
255.10196	2.7
256.10269	0.5
265.08633	4.2
267.10220	6.9
297.11310	76.1
298.11685	7.3
353.15469	0.6
357.17715	0.4
371.16467	1.7
397.14264	1.0
401.17593	1.0
521.22498	0.6
565.22290	100.0
566.22595	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	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03432	0.2
52.08196	0.2
54.10759	0.2
55.01763	0.9
59.01252	1.2
61.98696	0.7
70.41908	0.3
71.01251	1.3
71.49134	0.2
71.49522	0.5
75.00766	0.3
77.46987	0.3
85.02834	0.4
89.02318	2.0
92.52519	0.3
99.00763	1.1
101.02318	0.8
104.04378	0.3
109.02837	3.2
111.04388	0.4
113.02303	0.4
123.00746	0.6
123.04387	0.4
124.01579	0.5
125.02334	1.6
137.02339	4.2
138.03165	2.2
139.03911	54.5
140.04221	2.1
142.02617	0.5
149.04451	0.5
151.00278	2.9
151.03969	0.3
153.01881	0.4
163.04074	0.3
165.01842	1.4
166.02631	8.6
167.03410	100.0
168.03751	4.2
169.01364	0.6
180.04175	1.7
191.05475	0.6
225.09288	0.6
233.06610	1.3
243.10190	1.6
253.08673	3.6
269.08157	0.3
270.08636	0.4
271.09747	36.3
272.10150	3.4
293.08853	1.4
325.10864	0.3
339.09314	0.5
461.12985	8.3
462.13403	1.2
565.19226	23.5
566.19592	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	565.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31703	2.1
62.46046	2.0
65.00206	3.2
68.99683	3.7
70.19389	2.0
79.01751	3.2
85.57339	1.9
97.02807	2.9
121.02813	2.9
135.04376	3.3
141.25934	2.3
147.04517	2.3
165.01852	3.8
171.04427	14.2
173.78847	2.1
177.01811	5.0
179.03419	4.9
184.29001	2.1
193.56940	2.7
202.88678	1.9
225.09177	10.7
239.10727	2.4
241.08694	2.5
269.08160	100.0
269.11078	4.8
270.08472	9.0
281.08224	25.8
283.09720	86.4
284.10056	8.6
295.09723	45.7
296.10007	5.5
565.18774	18.3
566.18359	2.5
574.62927	2.1
590.58502	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	565.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	2.1
68.99678	2.2
71.28900	1.2
77.03841	1.4
79.01757	3.5
83.01295	0.5
95.95211	0.4
97.02850	2.2
101.09306	0.5
104.44458	0.5
109.02817	1.1
121.02832	4.0
127.05370	0.6
129.52362	0.5
135.04416	4.5
143.05022	0.7
145.06477	2.3
147.04404	1.0
150.03152	0.7
165.01822	5.0
167.07043	0.9
169.06537	1.2
171.04436	21.8
172.04926	1.7
173.09639	0.9
178.02600	1.2
179.03416	6.2
183.08102	2.0
199.07573	1.0
207.08095	0.5
213.05354	0.5
215.10684	1.5
225.09155	2.3
227.07088	7.4
228.07458	0.5
239.10709	4.7
241.08635	2.0
251.10773	0.6
269.08185	100.0
270.08551	9.8
283.09756	78.4
284.10071	7.3
295.09747	48.2
296.10156	4.8
565.18622	6.9
566.18646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76508	0.8
59.01244	2.7
61.98698	1.3
70.36580	2.2
71.01247	1.9
73.02819	1.2
83.01262	0.9
89.02299	0.7
93.03336	0.5
98.20471	0.8
99.00791	0.6
99.92444	7.7
100.10459	0.6
101.02327	1.2
107.01269	1.2
113.02340	0.9
116.92743	100.0
117.92747	4.9
119.04910	2.4
125.02366	0.6
129.31924	0.6
132.72232	0.7
151.00294	4.1
161.04448	0.9
177.01825	0.9
200.24332	0.6
271.02960	1.1
271.06143	4.3
300.02597	0.8
371.21155	0.7
372.21121	3.1
384.11945	1.1
403.23334	0.9
447.09250	1.1
504.25204	1.4
547.01953	1.2
564.37329	0.7
565.15527	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	565.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29200	0.4
55.01764	0.6
57.03323	1.3
61.98701	0.5
63.45703	0.3
64.40707	0.4
65.03828	0.3
68.94896	0.4
68.99670	2.2
77.03830	0.9
79.01762	5.9
83.01265	0.6
86.00509	0.3
107.04887	0.9
109.02831	3.3
111.04404	1.6
119.04942	0.6
121.02829	2.3
122.03607	3.9
123.00748	0.6
123.04411	1.9
123.48795	0.4
125.02338	0.4
133.02859	0.5
135.04402	4.3
137.02327	2.6
138.03093	0.9
144.08038	0.5
145.06496	0.6
147.04459	0.5
149.01097	0.5
149.02347	20.1
150.03130	78.4
151.03662	3.8
153.05473	2.2
155.03433	1.1
159.08046	1.0
163.03900	4.6
164.04466	0.4
166.02644	0.5
167.07013	0.7
171.04433	5.4
177.00293	0.7
177.01854	12.1
178.02631	55.9
179.03331	6.5
182.02113	0.7
182.07225	0.5
183.08054	2.1
190.02629	1.3
191.03423	2.5
192.04234	0.5
197.09636	0.7
205.05035	1.7
209.09671	0.5
210.01656	8.6
210.06772	0.4
211.01990	0.6
211.07597	0.4
225.09277	0.5
226.09935	0.5
237.09167	1.6
239.07040	1.3
239.10765	4.5
240.10962	0.5
241.08655	1.4
253.08644	4.3
254.09474	6.8
255.10094	0.7
281.08194	73.9
282.08945	74.3
283.09726	100.0
284.10092	9.1
286.08432	1.9
314.07910	2.8
318.07370	0.6
328.28311	0.4
337.10733	0.9
349.14413	1.7
373.14462	1.2
387.08856	0.5
393.13275	0.7
402.10858	0.8
411.12466	0.5
417.13406	6.4
418.14035	0.8
464.85645	0.4
521.19507	1.1
565.18683	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	561.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03287	1.5
58.00477	2.3
59.01249	70.6
69.58884	8.3
71.01255	48.6
72.99177	2.8
73.02820	15.5
85.02814	6.9
89.02316	100.0
91.42822	1.4
91.68272	1.2
96.95882	13.6
97.02825	2.1
98.19838	3.1
99.00757	25.7
100.45802	1.4
101.02325	36.9
113.02327	5.3
119.03366	2.7
125.02328	7.2
131.03391	13.8
137.85287	1.5
143.03400	2.4
149.04462	74.6
150.04883	1.8
150.50529	1.9
161.04407	2.8
186.64484	1.6
191.05553	14.9
199.72578	1.5
221.06602	6.3
223.13313	5.1
251.07651	6.7
267.12384	4.8
271.02380	1.8
281.08871	1.7
285.19037	1.8
293.08746	2.8
300.02679	2.5
311.09714	2.3
384.14804	1.7
398.10104	2.7
463.09204	2.1
515.55310	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	561.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.6
61.98713	5.7
71.01268	1.3
71.04884	1.2
71.49937	1.4
88.98662	1.1
89.02331	1.0
91.11324	0.7
95.01232	0.7
96.30511	0.7
96.95885	13.6
101.02313	1.0
125.02322	1.9
130.85097	0.8
139.52054	0.8
141.56335	0.7
143.04504	0.9
146.08136	2.9
151.00327	1.8
161.79948	0.9
167.63936	0.8
171.10185	2.6
178.99577	1.1
182.03625	4.4
183.04411	2.2
195.04388	1.4
196.05215	5.6
197.06055	3.6
198.03210	2.0
199.03986	1.3
209.11819	1.1
211.03949	7.6
212.04727	12.8
213.05119	1.4
223.03886	2.5
224.04698	8.2
227.03555	1.6
239.03481	5.7
239.07097	5.9
240.04236	30.1
241.04895	7.0
243.02881	1.9
252.04289	4.3
255.02959	3.5
255.06618	2.2
257.08130	5.3
259.02325	0.8
267.02982	9.0
268.03751	13.4
269.04190	1.8
270.01901	1.0
271.02429	7.9
277.12207	2.0
283.06104	100.0
284.06445	9.5
287.01834	1.8
300.02759	12.8
300.08560	1.7
301.03516	5.7
301.07166	12.9
302.07306	1.2
306.07635	0.8
316.02255	3.6
345.51651	0.9
360.09064	1.0
363.11823	0.9
431.12708	1.1
463.08841	13.7
464.09006	1.7
561.16504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04981	0.2
65.00204	0.2
67.72784	0.2
71.49094	0.4
79.95599	2.6
96.95885	100.0
97.95806	0.4
111.97960	0.2
118.40031	0.2
118.78684	0.2
125.02345	0.4
125.20259	0.2
151.00232	0.2
154.99785	0.3
163.00328	0.2
166.99878	0.3
255.02980	0.3
259.02530	0.5
271.02460	0.8
287.01944	0.3
300.02722	0.3
301.03455	0.4
301.39359	0.2
316.02243	1.6
317.02832	0.4
364.56189	0.2
398.09772	0.2
463.08856	2.8
543.00903	0.4
583.31903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	16.2
59.01244	2.0
61.98688	3.3
69.96667	7.7
70.71590	1.4
71.01251	2.9
71.67484	1.4
79.95605	1.5
85.02834	1.8
88.98680	2.2
91.05430	1.8
96.46737	1.4
96.95883	27.6
98.20535	2.1
104.95771	1.6
125.02335	100.0
126.02682	3.9
126.32024	1.5
127.89988	1.3
136.46797	1.3
137.02295	4.0
140.75279	1.6
147.00771	2.2
171.04414	1.8
171.08183	2.0
172.02795	1.7
175.00243	7.3
176.01015	6.6
187.03909	3.5
188.04752	1.6
189.01874	3.3
190.02582	2.5
198.03140	2.0
198.71805	1.4
200.04703	9.5
201.05263	1.5
209.06042	1.6
211.07428	1.9
212.04634	2.6
213.05476	2.3
214.02618	2.5
215.03354	6.8
216.04103	2.6
225.95285	1.4
226.02617	3.9
226.06287	3.0
227.03459	13.0
227.07063	4.7
228.04170	3.2
229.05008	6.9
229.08638	11.5
230.05666	2.3
230.08928	1.7
238.46489	1.7
241.05013	3.1
243.02904	12.4
243.06544	5.9
244.03670	9.4
245.08229	3.3
254.05728	2.7
255.06580	16.3
256.03745	4.2
256.06760	3.1
257.04559	3.1
257.08005	1.5
258.05368	1.7
269.08023	2.9
271.02777	1.9
271.06091	9.2
271.09207	2.0
272.06732	6.3
273.07678	78.5
274.08057	5.5
279.06635	2.1
280.67007	1.4
283.02423	4.3
284.03259	14.3
284.35410	1.5
285.07440	2.0
287.09171	3.4
295.09711	2.7
297.07462	3.3
300.02698	3.6
301.03473	4.9
309.07718	2.6
315.08792	6.8
319.09607	1.5
337.10825	3.4
363.08539	2.5
381.09857	19.6
398.10007	5.5
435.12991	33.6
436.13174	3.1
463.08731	5.2
464.09885	2.0
498.09668	6.3
520.76477	1.5
561.15985	11.8
562.16736	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	558.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41641	0.3
59.01247	1.5
61.98703	100.0
62.73795	0.3
66.68921	0.3
78.47273	0.3
111.51591	0.3
132.57858	0.3
145.02859	1.1
168.94353	0.3
169.90727	0.3
195.58194	0.3
198.92511	0.3
208.02518	0.3
492.46738	0.3
505.28430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93738	0.5
55.46324	0.5
56.71409	0.5
59.01240	0.6
61.98700	100.0
71.48882	0.9
86.27104	0.6
106.41033	0.5
107.80011	0.5
138.85602	0.6
143.62045	0.6
274.18228	0.6
360.50540	0.7
531.18756	0.6
555.40033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23869	11.1
65.99715	16.2
71.49085	13.7
95.01265	25.7
109.02818	15.0
111.00745	16.8
118.02828	13.6
118.85845	11.2
123.00751	34.0
124.01487	16.6
125.02346	30.6
135.00769	14.2
137.02377	30.8
139.00250	22.6
141.01834	37.9
146.02321	13.9
151.00224	60.1
152.01025	19.8
158.02403	15.2
162.01927	19.2
163.00246	36.3
164.01004	38.1
164.03372	15.3
165.01830	29.0
166.99847	13.6
175.03911	19.1
176.01033	18.6
176.03503	19.5
177.01871	26.4
178.99754	50.5
186.01862	26.9
188.03485	15.7
189.01836	22.5
190.01334	24.3
193.01225	18.0
198.01923	16.1
201.25534	13.0
202.01299	27.3
202.99728	21.7
203.02135	33.6
204.02808	22.8
205.01433	15.4
216.02974	49.6
220.02483	16.4
227.03325	16.8
230.00923	44.7
242.00873	13.4
243.03986	26.0
259.02319	36.8
271.02451	31.8
287.01947	59.2
315.01489	75.4
316.02069	71.3
317.02789	19.7
322.03738	18.9
326.03079	27.4
331.01157	14.7
332.01648	66.2
333.02307	25.3
338.02917	14.7
342.69409	14.6
355.02875	29.4
355.06854	28.9
372.03568	45.9
377.03989	13.4
394.07614	19.8
395.05045	55.4
407.10898	24.9
433.08929	39.4
463.08865	64.8
479.08249	45.5
480.08679	20.4
518.10663	13.1
519.10101	29.6
541.10699	23.0
559.11884	100.0
579.17712	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	557.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.1
61.50926	0.7
61.98696	1.3
70.78883	1.4
78.33778	0.7
81.03352	0.7
82.46220	0.6
85.02828	0.7
93.03329	4.7
96.95879	3.7
98.61967	0.7
105.03310	1.1
108.02048	2.8
109.02843	5.3
119.04900	0.7
121.02842	21.7
121.03696	1.3
122.02842	1.0
122.03640	15.8
123.04472	4.8
124.01563	2.3
125.02340	4.8
129.03339	1.6
132.02090	3.2
133.02844	16.5
134.03645	10.7
135.04402	3.0
136.01514	1.5
136.05191	1.6
137.02341	2.6
145.02855	7.4
146.03630	4.1
147.04424	11.5
148.01508	0.6
148.05176	1.5
149.02347	37.2
149.05995	14.6
150.03131	73.8
151.03438	4.1
154.02615	2.4
160.05179	0.7
161.02356	2.9
161.05977	5.2
162.03136	2.4
163.03842	1.3
164.03685	0.6
164.04729	7.7
165.05481	85.0
166.05824	4.5
169.01329	3.5
170.01758	1.2
175.07651	0.7
177.01804	0.9
177.05461	3.1
178.06070	0.8
179.07056	11.3
180.04216	3.1
180.07417	1.3
185.05873	0.6
195.06548	25.1
196.06891	1.2
209.08125	0.7
223.09662	1.4
283.09857	1.3
285.11383	1.1
297.11505	1.2
299.12903	1.5
311.13065	0.6
313.10803	1.6
313.14371	1.2
315.12393	2.0
329.13971	3.9
345.13861	0.8
346.14285	6.7
347.14929	10.4
348.15356	1.4
360.15390	0.8
361.16559	61.8
362.16953	6.0
375.18222	0.7
389.50507	0.7
415.17572	9.6
416.17920	1.0
418.15298	0.7
455.74518	0.7
463.17896	0.9
509.21780	100.0
510.22147	17.6
521.21875	7.3
522.21985	1.1
537.73639	0.7
539.22913	6.9
540.23633	1.0
557.24103	6.1
558.23810	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	557.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02594	0.7
57.03054	1.1
57.03324	14.9
59.01255	1.5
60.99178	1.5
61.98697	0.7
71.01257	1.6
71.49572	1.3
81.03335	1.3
83.01248	3.5
87.71766	0.6
88.98682	13.5
89.02306	1.7
95.04906	2.0
105.03345	5.5
109.02872	1.2
110.76227	0.8
120.76840	0.7
124.01585	0.8
125.02335	100.0
126.02669	4.1
133.02818	1.0
135.04420	2.6
137.02338	6.7
138.03003	1.0
149.02322	1.8
161.02353	45.1
162.02744	3.0
165.01854	1.1
167.03368	0.8
175.03925	1.3
177.05473	4.4
179.03436	3.6
183.75325	0.7
195.06551	1.0
200.04886	1.0
201.05505	1.4
203.03372	1.0
219.06662	1.1
225.05495	1.8
241.04987	1.1
243.06569	0.9
269.04504	7.3
269.10312	1.5
280.37518	0.8
286.04581	1.0
287.05588	11.9
288.06021	1.0
305.06802	5.6
467.10034	1.9
534.85077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	13.8
59.01244	5.1
59.61190	0.3
61.98699	2.5
64.08196	0.2
69.03316	0.4
71.01250	1.1
71.50611	0.5
72.74046	0.3
78.95774	0.7
79.95595	0.3
81.03329	1.8
83.01253	3.9
87.00748	0.4
89.02304	1.8
93.03326	0.8
95.01266	0.4
95.04890	1.7
96.95888	4.0
96.96832	1.6
97.02843	0.5
99.00754	0.4
105.03338	4.5
107.01280	0.4
109.02856	1.3
111.08039	0.3
113.02304	0.3
115.94553	0.3
121.02838	5.4
123.00747	0.5
123.04352	0.4
124.01566	0.7
125.02330	100.0
126.02662	3.4
132.02092	0.5
133.02838	1.2
135.04407	0.7
137.02335	7.9
137.09654	0.4
138.02991	0.3
139.03876	1.0
145.06505	0.4
147.04382	0.3
149.02344	4.7
149.04378	0.5
151.03922	0.9
157.06404	0.4
159.04385	0.6
161.02347	39.7
162.02658	2.4
164.01161	0.3
165.01834	1.2
165.05528	0.4
165.12814	1.5
165.14005	0.2
166.02582	0.7
167.03412	2.7
169.01332	3.0
170.01987	0.3
171.04524	0.3
173.05962	0.6
173.35506	0.2
175.03929	1.4
177.01871	2.1
177.05475	3.7
178.05872	0.3
179.03391	1.1
181.04965	0.4
181.08543	0.3
183.04422	0.5
185.02359	0.3
190.02768	0.4
191.03374	0.6
193.05246	0.3
197.06062	0.8
199.03886	1.0
200.04741	0.3
201.01865	0.6
201.05450	2.2
203.03407	0.8
207.13927	0.9
209.11729	1.8
213.05618	0.7
217.05006	0.5
219.06554	2.3
220.07045	0.3
221.04428	0.5
225.05548	1.6
225.14995	0.7
227.03426	2.1
229.01421	2.1
229.04831	0.3
233.06607	0.9
241.05011	0.7
242.05875	0.3
243.03053	0.4
243.06477	1.7
245.04556	0.6
251.03555	0.4
261.07657	0.7
269.04535	13.0
269.13922	28.7
270.04858	1.0
270.14291	2.5
271.02216	0.5
285.04037	0.4
286.04645	0.4
287.02435	0.5
287.05585	11.7
288.05927	0.9
293.08765	4.8
303.08838	0.7
305.06644	5.9
306.07004	0.8
316.02151	0.9
319.04651	0.7
329.06714	0.4
335.22217	1.8
353.10373	0.5
415.12256	0.7
419.17081	2.8
420.17361	0.4
423.07370	0.6
497.94501	0.3
513.21417	0.9
521.16846	0.3
539.19128	0.6
557.13544	0.6
557.20441	0.9
558.21576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.55679	0.2
52.25002	0.2
56.23867	0.2
57.03335	0.2
59.01244	0.5
63.96096	0.9
68.66341	0.2
69.03326	0.4
69.18353	1.1
69.18775	1.5
71.01250	5.4
73.02811	1.4
73.31322	0.3
78.98461	4.5
79.23311	0.2
79.95605	7.2
80.96387	53.1
81.03331	0.9
83.01237	0.4
84.18303	0.2
85.02828	2.3
87.00739	1.9
94.97959	12.3
96.95885	1.1
97.02848	1.2
98.20654	0.3
99.00755	0.4
101.02312	2.3
101.60583	0.3
106.97976	2.3
113.02319	0.4
118.53201	0.2
122.97468	4.2
125.02339	2.4
127.03898	0.8
134.97473	3.6
136.99014	1.0
148.99033	4.7
149.00150	0.4
152.98543	5.7
164.98543	9.2
167.00085	0.5
182.99591	1.8
188.98560	0.4
206.99634	2.7
225.00705	15.5
226.01099	0.3
243.01715	1.6
255.23294	2.6
299.04501	2.3
311.39230	0.3
544.36017	0.2
555.28400	100.0
556.28754	16.2
557.38928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01601	1.1
61.98717	1.1
71.49213	0.7
83.04884	1.0
89.36325	0.5
125.02309	0.8
129.21164	0.5
148.27144	0.6
167.07077	0.8
171.10188	0.7
183.13866	1.7
209.11775	25.8
210.12186	1.2
211.13336	37.1
212.13707	2.9
227.12933	4.4
297.11343	1.0
298.11734	1.3
403.25195	0.9
552.60565	0.6
555.20111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47905	0.7
57.03315	1.6
59.01241	1.7
61.98700	4.7
69.03316	1.5
71.01271	0.8
71.12620	1.6
91.05403	0.7
93.03340	2.3
95.01286	1.0
95.04886	1.0
96.95874	1.1
97.02843	1.7
105.03350	1.7
108.02082	1.4
109.02844	3.9
119.04897	2.6
121.02850	7.5
122.03651	9.0
123.00739	2.7
123.04397	2.3
124.01529	1.8
125.02335	61.5
126.02673	2.2
132.02020	1.6
133.02832	10.4
134.03670	3.9
135.04419	1.1
136.01529	2.4
136.05220	1.1
137.02345	5.0
137.05873	0.9
139.03923	1.7
145.02856	1.2
146.03622	1.3
147.04427	15.4
147.05566	1.1
148.01511	1.0
148.05087	2.6
149.01117	1.2
149.02338	27.6
149.05965	6.2
150.03122	67.4
151.03807	4.1
158.03625	4.2
159.04404	6.9
160.05196	14.9
161.02345	6.5
161.05969	7.4
162.03006	1.0
162.06760	0.8
163.03903	6.7
164.00987	0.8
164.04698	13.0
165.01793	3.2
165.05475	55.7
166.05827	2.3
166.99843	1.0
167.03377	2.9
168.00609	1.1
169.01329	79.9
170.01686	3.5
173.05946	5.5
175.03859	2.1
175.07558	15.8
176.04694	5.5
176.07840	1.1
177.01897	1.6
177.05479	12.0
178.06244	3.6
178.30530	0.8
179.03415	2.3
179.07146	3.5
180.04208	3.1
181.04938	0.8
191.07004	1.6
193.01311	3.2
193.08511	1.4
195.06557	21.6
211.11821	0.8
219.06561	2.0
223.09650	1.7
270.08890	2.2
284.10495	1.9
285.11258	3.0
296.10315	1.3
297.11224	1.3
299.12924	1.1
305.06668	4.6
315.12369	3.4
329.13922	32.3
330.14380	3.7
331.04669	1.0
341.14001	1.3
385.12735	1.7
403.13916	7.1
429.12408	1.5
432.15744	2.0
447.18124	5.3
459.18286	1.4
477.19153	100.0
478.19473	17.7
489.19452	1.4
507.20206	4.6
508.20694	0.8
525.21228	14.3
526.21552	2.6
546.57355	0.9
555.22522	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	555.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04780	0.8
54.02438	0.7
57.03313	2.6
59.01248	0.9
61.98690	3.0
64.20846	0.7
69.03304	2.1
69.16670	5.5
69.17078	1.3
71.01254	0.7
81.03335	0.9
86.22368	0.7
93.03335	4.1
95.04900	1.3
96.95907	0.9
97.02842	1.4
105.03307	1.0
107.01248	1.4
109.02830	2.0
121.02837	6.7
122.03640	9.9
123.00766	2.0
124.01512	1.2
125.02335	71.0
126.02691	2.8
133.02855	1.8
134.03619	1.5
135.04407	1.5
135.08051	0.9
136.01547	0.9
137.02336	4.5
139.03923	2.7
147.04446	1.5
149.02341	22.8
150.03131	84.3
151.03445	4.5
153.01900	0.7
160.05272	1.9
161.02339	5.8
162.03156	0.8
163.03967	1.4
164.04709	4.8
165.01802	2.8
165.05481	100.0
166.02345	0.8
166.05840	5.3
167.03441	2.3
169.01335	84.3
170.01685	3.9
173.06123	0.8
173.56322	0.6
175.03941	0.8
177.01834	1.0
177.05530	2.4
179.03484	1.8
179.07001	3.8
180.04196	6.7
180.07393	0.8
191.07010	1.1
193.01372	3.7
193.04999	1.0
195.06549	62.2
196.06923	3.4
204.04221	0.8
205.01349	0.7
207.06619	2.0
219.06650	2.7
221.04529	1.5
223.09723	2.9
240.04178	1.0
261.07825	0.7
267.06619	1.1
269.05038	1.0
269.08191	3.0
281.08423	0.7
283.09811	2.1
297.11502	1.8
298.08398	1.0
298.11938	0.9
299.09372	1.6
300.09909	1.2
305.06631	6.7
306.07059	1.3
310.08463	1.2
311.09262	3.1
313.10858	0.8
314.11588	4.9
315.12292	1.1
325.10681	1.8
326.11569	3.1
327.12341	0.9
329.13916	15.1
330.14154	2.0
331.04581	0.9
337.40472	0.7
341.13858	7.6
342.14166	1.0
343.11810	1.7
359.11227	0.6
373.12881	0.8
378.39410	0.8
385.12662	1.5
386.13446	0.9
403.13983	7.4
404.14453	1.1
429.12003	1.5
431.14999	0.9
457.07794	0.8
477.19336	3.3
478.19641	1.2
507.20248	9.4
508.20538	2.1
517.82416	0.7
525.21100	1.4
537.21710	1.3
555.14917	0.8
555.22766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	14.0
59.00956	0.5
59.01247	8.4
71.27392	0.6
77.03812	0.3
81.03342	1.5
83.01260	3.7
87.00752	0.5
93.03339	0.4
95.01273	0.3
95.04904	2.2
97.02874	0.3
105.03336	4.1
106.03692	0.3
109.02832	1.7
111.04381	0.3
117.06966	0.3
121.02856	0.4
123.00758	0.5
124.01575	0.6
125.02331	100.0
126.02665	3.0
133.02864	1.3
134.03671	0.4
137.01271	0.4
137.02338	8.0
139.03885	1.9
147.04449	0.5
149.02336	1.4
149.05956	0.4
151.03839	0.4
159.04337	0.3
160.01572	0.3
161.02344	43.5
161.13229	0.3
162.02646	2.8
164.01044	0.7
165.01826	2.0
166.02560	0.5
167.03416	3.7
173.05971	0.5
175.03926	1.1
177.01886	0.6
177.05490	3.6
179.03416	1.9
183.04347	0.7
185.02232	0.3
193.04980	0.9
197.06006	0.6
199.03867	0.4
200.04686	0.3
201.01855	0.6
201.05531	2.3
203.03412	0.7
204.04236	0.3
211.36235	0.3
213.05473	0.4
217.04971	0.3
219.06520	2.3
221.04454	0.6
223.13342	12.4
224.13676	0.9
225.05467	1.1
227.03372	1.5
227.68575	0.3
229.01369	1.4
241.04977	0.6
243.06615	1.4
245.04402	0.3
261.07663	1.0
267.12350	8.9
268.12692	0.9
269.04547	7.8
269.07336	0.6
270.04828	0.5
287.05609	10.8
288.05914	1.0
305.06644	10.1
306.06943	0.9
417.15515	1.8
468.41040	0.3
511.19727	0.7
555.18628	4.7
556.18799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08746	1.1
55.31510	1.3
59.01259	1.3
61.98697	4.7
66.45320	1.4
71.04413	2.1
92.82027	1.2
93.03334	2.0
96.95894	1.6
103.63243	1.2
108.02038	3.7
109.02793	7.4
121.02837	6.4
122.03634	9.5
123.00771	1.6
123.04431	7.6
124.01576	1.3
125.02345	6.3
132.02092	2.5
133.02853	6.2
134.03638	1.6
135.04387	5.0
137.02347	2.1
139.03893	1.9
147.04454	1.3
149.02344	25.8
150.03127	100.0
151.03918	14.8
152.34766	1.3
159.04346	2.1
163.03902	1.9
164.04688	5.3
165.05479	79.6
166.05821	3.3
169.01376	2.6
173.06017	3.6
180.04164	4.8
181.04988	12.3
189.05574	3.1
191.07202	1.1
195.04831	2.4
195.06557	41.5
203.07088	2.4
218.21613	1.4
240.04286	1.8
241.04970	7.5
255.06673	2.4
256.92010	1.3
263.59311	1.2
269.08099	1.8
281.08118	1.7
284.35062	1.2
294.73724	1.3
295.09705	1.6
297.07721	3.7
299.09235	6.0
300.99551	1.4
312.09872	1.9
313.10864	6.8
316.02011	1.4
329.10361	3.6
343.11844	2.7
344.12634	13.1
344.98508	1.2
345.13239	4.3
358.14368	1.5
359.10602	2.3
359.14944	32.7
360.15414	2.4
443.15118	2.4
447.14551	2.2
461.15897	8.2
477.15540	2.3
507.20215	82.5
508.20715	14.9
555.22083	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	555.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
58.96912	0.3
59.01247	1.0
61.98695	1.3
64.61058	0.3
65.00204	0.3
67.01765	0.3
69.03332	1.8
69.15888	2.6
69.16306	0.5
71.01234	0.4
75.00745	0.3
75.20164	0.3
77.95979	0.3
79.67861	0.2
81.03328	0.8
82.99419	0.3
83.01260	1.2
85.02821	0.3
89.02274	0.4
93.03316	0.8
95.01258	0.8
95.04922	0.9
96.95881	0.6
97.02796	1.4
101.23788	0.3
105.03320	0.8
107.01249	0.6
108.02089	0.4
109.02843	1.8
111.04422	0.3
116.58183	0.3
120.87217	0.3
121.02840	1.4
122.03613	3.3
123.00769	1.6
123.04394	0.7
124.01556	1.2
125.02331	73.9
126.02692	2.5
133.02829	0.8
134.03671	0.3
135.04407	0.7
135.08075	1.0
137.02333	3.4
138.03093	0.3
139.03876	2.2
140.38049	0.3
147.04420	1.0
149.02342	6.1
149.06006	0.4
150.03122	25.0
151.03896	1.6
158.03603	0.3
159.04384	1.3
160.05188	1.9
161.02342	6.6
161.05968	0.9
162.02910	0.5
163.03923	1.3
164.01009	0.4
164.04684	2.2
165.01802	2.3
165.05479	27.5
166.02483	0.4
166.05830	1.5
166.99785	0.6
167.03413	2.3
168.00523	0.7
169.01329	100.0
170.01669	4.1
173.05974	1.0
175.03876	0.6
175.07498	2.3
176.04707	0.6
177.01869	0.7
177.05469	3.0
178.06316	0.6
179.03369	1.8
179.07028	3.1
180.04222	1.2
181.04968	0.6
181.08615	0.8
189.05472	0.3
191.03403	0.4
191.07022	1.2
193.01373	3.5
195.06541	18.2
196.06879	0.8
201.05507	0.7
203.03328	0.5
204.04108	0.4
205.01364	0.6
205.08592	0.7
219.06491	2.4
220.07066	0.5
221.04491	1.4
223.09656	3.2
235.09683	0.6
243.06667	0.4
245.04250	0.3
261.07755	0.5
263.44617	0.3
269.04544	0.6
270.05246	0.3
275.05673	0.5
287.05621	0.7
305.06638	7.3
306.06940	0.8
313.10583	0.3
315.12396	0.6
319.04425	0.4
329.13931	7.7
330.14236	0.9
331.04620	1.6
341.13983	0.3
343.11987	0.5
359.11307	0.8
367.11758	0.6
371.14792	0.5
385.13123	2.0
403.13959	8.0
404.14188	1.2
429.11911	1.1
447.17920	0.8
457.07684	0.9
477.19189	6.6
477.25989	0.3
478.19485	0.9
507.19775	1.2
525.21362	2.1
555.14777	1.3
555.22089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54642	0.4
55.44018	0.4
57.03317	2.0
69.03327	1.1
69.48872	3.2
72.26510	0.5
81.03342	0.9
83.70095	0.4
95.01248	0.6
95.04877	0.5
96.95911	1.0
97.02818	1.3
98.95464	0.5
100.30153	0.4
105.03336	0.7
107.01270	0.5
109.02823	1.1
111.04398	0.6
120.99548	1.7
123.00771	1.1
124.01555	0.9
125.02333	65.4
126.02668	2.2
135.07990	0.8
137.02361	2.8
139.03893	2.1
149.02324	0.7
151.03932	0.5
161.02335	5.3
164.01080	0.6
165.01828	1.8
166.02600	0.6
166.99774	0.7
167.03380	1.2
168.00543	0.8
169.01335	100.0
170.01685	3.9
175.03812	0.5
177.05463	1.1
179.03430	2.4
179.07030	3.1
191.07077	0.7
193.01331	3.6
219.06561	2.4
221.04483	1.9
223.09726	4.0
227.03296	0.4
235.09805	0.6
263.09229	0.7
287.05502	0.9
305.06668	7.6
306.07077	0.7
319.04739	0.4
331.04739	0.7
359.11163	1.1
367.12341	0.6
385.13034	2.4
398.57410	0.4
403.13995	9.4
404.14331	1.1
409.11374	0.6
429.11853	1.7
457.08154	0.9
555.15326	1.5
556.15289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.1
59.01253	0.5
61.98697	5.4
67.57259	0.3
69.03326	1.2
71.01242	0.3
71.05454	0.4
73.37906	0.3
74.46799	0.3
79.01757	0.4
81.03327	1.1
83.01237	0.7
91.94559	0.3
93.06967	0.3
93.73519	0.3
95.01255	1.0
95.04932	0.7
97.02805	1.5
105.03337	0.6
107.01271	0.6
109.02845	1.3
111.04354	0.4
121.02874	0.4
123.00758	1.3
123.04414	0.3
124.01577	0.5
125.02334	70.3
126.02699	2.6
134.03615	0.6
135.08044	1.0
137.02336	3.0
139.03922	1.8
149.02350	0.6
149.05983	0.4
151.03789	0.3
161.02350	4.4
164.01012	0.4
165.01830	2.4
166.99747	0.6
167.03436	1.8
168.00557	0.4
169.01334	100.0
170.01672	4.9
175.03957	0.4
177.01855	0.5
177.05521	1.0
178.02647	0.5
179.03427	2.0
179.07060	3.6
188.56470	0.3
191.07053	1.3
193.01367	3.9
193.05019	1.7
201.05424	0.4
203.03401	0.5
204.04146	0.5
205.01419	0.4
219.06538	2.4
221.04501	1.0
223.09694	3.6
224.09979	0.3
235.09680	0.9
245.04448	0.4
263.05624	0.4
263.09073	0.4
269.04364	0.8
275.05566	0.4
287.05673	0.9
302.61157	0.3
305.06659	8.4
306.07098	1.0
316.92932	0.3
319.04474	0.4
331.04391	1.1
359.11285	1.6
367.11752	0.7
385.13098	2.1
386.13147	0.4
393.15134	0.3
403.13959	10.6
404.14072	1.7
422.37756	0.3
429.11768	1.3
457.07776	0.9
458.07745	0.3
555.15057	2.0
556.14819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	22.8
60.01564	0.3
61.98701	0.4
71.41145	0.5
78.95777	18.6
80.96387	0.3
83.38313	0.3
94.70142	0.3
110.15739	0.4
110.71847	0.3
122.98476	0.3
152.99489	2.7
168.04211	3.3
184.06859	0.4
189.99754	0.4
217.09491	0.3
224.06874	8.4
242.07950	2.3
255.23270	100.0
256.23611	8.9
272.34665	0.3
480.30939	64.7
481.31223	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	555.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93785	0.3
56.49163	0.4
70.35687	0.7
70.36084	1.1
79.95612	2.1
96.95887	100.0
97.00321	0.6
125.02338	4.5
139.00304	0.8
153.01840	0.5
161.02356	0.7
169.01344	8.2
170.01587	0.4
195.70392	0.4
305.06787	0.7
401.32730	0.4
457.07828	0.6
495.31717	0.5
558.54303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.1
63.02256	2.6
65.00188	9.7
67.46071	0.9
71.49279	0.9
79.84734	1.0
83.01271	6.1
93.03351	5.6
96.95889	1.4
107.01271	15.4
117.03397	1.9
119.04922	30.8
120.05174	1.2
120.99549	23.4
125.02351	6.9
135.04425	0.9
145.02834	3.7
151.00273	66.0
152.00552	2.3
158.94643	1.0
160.73265	0.9
162.13654	1.1
162.42474	0.9
165.01849	5.1
165.05470	1.4
165.28001	1.0
169.01328	5.7
177.01872	4.4
185.06041	2.8
187.03932	2.6
199.07713	0.9
208.33487	0.9
227.07095	3.1
271.06119	100.0
272.06519	9.7
313.05710	3.1
433.11407	44.9
434.11493	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.7
61.98698	9.3
67.01726	0.8
71.01244	2.8
87.04404	1.1
89.02335	1.5
89.58518	1.0
93.03338	4.7
95.01257	1.7
101.02294	0.9
102.06159	1.1
108.01999	1.7
109.02824	1.4
111.17031	0.8
121.02842	7.7
122.03622	15.6
123.00778	3.4
123.04407	1.4
124.01584	1.2
125.02361	13.2
132.02052	1.0
133.02803	1.7
134.03654	2.1
135.04419	2.2
136.01559	16.8
137.02361	4.3
138.03105	2.2
142.82152	1.0
143.04425	1.0
147.04337	1.0
149.02341	23.8
150.03127	92.8
151.03932	17.1
161.02260	2.0
163.03902	1.9
164.04706	5.1
165.05479	100.0
166.02634	2.0
166.05775	6.2
166.99738	3.2
168.00554	3.8
169.01332	9.7
175.03914	3.7
177.01863	2.4
177.05446	1.4
178.99854	1.2
179.03397	1.1
180.04182	6.7
180.05522	1.0
189.05577	1.1
190.06335	3.0
193.05002	3.3
195.06548	69.6
196.06824	4.6
199.03909	1.9
204.58408	0.9
209.11795	1.1
217.05045	1.5
221.08131	1.3
241.04915	1.0
254.08415	0.9
267.06467	0.9
269.85800	0.9
271.02426	2.1
285.04059	1.4
299.09256	1.8
316.02271	4.1
325.14435	1.2
327.12222	5.0
357.13452	11.3
358.13846	1.1
401.12286	1.0
401.25504	1.1
463.08722	3.9
475.17337	2.7
505.18686	11.4
506.19437	1.4
548.52704	0.9
553.20630	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	553.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37402	5.0
59.01254	15.2
70.82310	14.8
89.02338	8.6
95.01225	5.5
101.02314	15.3
110.95303	4.7
122.03614	12.7
123.00738	6.4
123.04382	6.6
123.46001	5.7
125.02330	18.6
135.04396	6.0
136.05194	12.0
149.02316	26.7
150.03140	85.0
151.03871	19.5
164.04663	9.2
165.05482	87.4
166.05820	6.8
169.01367	11.5
175.66139	4.8
181.04968	18.1
186.94009	4.9
195.06564	73.1
259.99442	5.3
280.12817	5.4
282.08417	6.3
311.09238	10.1
336.62463	5.4
343.11807	57.2
364.40964	5.0
391.13943	100.0
392.14261	13.2
439.50760	6.2
509.16394	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	553.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.7
61.98698	9.3
67.01726	0.8
71.01244	2.8
87.04404	1.1
89.02335	1.5
89.58518	1.0
93.03338	4.7
95.01257	1.7
101.02294	0.9
102.06159	1.1
108.01999	1.7
109.02824	1.4
111.17031	0.8
121.02842	7.7
122.03622	15.6
123.00778	3.4
123.04407	1.4
124.01584	1.2
125.02361	13.2
132.02052	1.0
133.02803	1.7
134.03654	2.1
135.04419	2.2
136.01559	16.8
137.02361	4.3
138.03105	2.2
142.82152	1.0
143.04425	1.0
147.04337	1.0
149.02341	23.8
150.03127	92.8
151.03932	17.1
161.02260	2.0
163.03902	1.9
164.04706	5.1
165.05479	100.0
166.02634	2.0
166.05775	6.2
166.99738	3.2
168.00554	3.8
169.01332	9.7
175.03914	3.7
177.01863	2.4
177.05446	1.4
178.99854	1.2
179.03397	1.1
180.04182	6.7
180.05522	1.0
189.05577	1.1
190.06335	3.0
193.05002	3.3
195.06548	69.6
196.06824	4.6
199.03909	1.9
204.58408	0.9
209.11795	1.1
217.05045	1.5
221.08131	1.3
241.04915	1.0
254.08415	0.9
267.06467	0.9
269.85800	0.9
271.02426	2.1
285.04059	1.4
299.09256	1.8
316.02271	4.1
325.14435	1.2
327.12222	5.0
357.13452	11.3
358.13846	1.1
401.12286	1.0
401.25504	1.1
463.08722	3.9
475.17337	2.7
505.18686	11.4
506.19437	1.4
548.52704	0.9
553.20630	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	553.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.0
57.03322	9.9
58.03637	0.4
59.01251	0.4
63.02274	0.5
65.00187	4.8
68.99683	1.1
79.01749	5.7
79.05392	0.5
81.03314	2.1
83.01251	6.7
87.04400	1.1
95.04906	0.7
97.06470	0.4
98.20573	0.8
99.08026	7.4
103.93257	0.3
107.01250	5.2
109.02841	0.8
115.05420	0.5
118.42570	0.3
119.04902	0.4
121.06475	1.2
123.04403	5.7
123.08016	0.6
125.02325	12.3
125.05954	0.6
130.04150	0.3
133.02896	0.7
141.06970	1.0
144.07498	0.3
145.06468	2.4
149.05984	5.9
150.03073	0.6
151.00264	11.7
152.00793	0.4
152.04709	0.9
155.08614	0.8
159.08034	0.9
162.06694	0.4
164.01065	1.3
165.09143	3.7
166.06253	0.6
167.03404	9.0
167.07045	26.4
168.07370	0.9
169.06496	2.6
171.04419	9.4
172.05090	1.1
173.09601	1.0
177.01833	0.4
183.08049	3.6
187.07617	1.1
191.03391	0.5
193.04997	7.6
193.06535	0.7
194.05275	0.4
195.08043	0.4
196.08797	0.5
197.09546	0.6
200.08405	0.8
209.08105	15.2
209.10092	0.7
210.08423	0.6
211.07567	8.4
211.11151	1.7
212.07877	0.8
213.05437	0.8
214.06294	0.3
228.72214	0.4
237.05605	0.6
237.09109	0.5
238.09909	0.5
253.12303	13.3
254.12624	1.6
255.06586	82.7
256.06934	6.6
269.11630	0.4
275.10788	0.7
297.11285	100.0
298.08273	0.6
298.11639	8.9
299.13208	1.7
313.11832	0.5
317.11880	0.8
341.11819	2.7
343.09781	1.6
357.11163	1.4
359.12939	2.5
360.13275	0.4
383.16367	0.9
385.10452	2.1
427.15280	0.7
553.18640	5.2
554.18866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99142	1.7
67.76835	1.4
71.26601	3.3
79.24524	1.3
88.98676	10.7
107.01208	1.8
109.02835	2.0
124.01551	1.5
127.46146	1.7
130.61749	1.4
137.02289	3.3
139.00345	1.6
141.01773	1.8
151.00258	7.6
158.63075	1.6
163.00246	2.2
164.01012	1.6
166.99721	2.2
169.01340	1.8
177.01865	3.2
178.99751	8.2
190.99718	1.6
214.02696	6.0
242.02068	4.9
243.02832	3.5
259.02344	5.3
270.01584	4.4
271.02460	31.8
287.01978	19.0
300.02716	2.3
316.02243	87.4
317.02747	19.0
373.42023	1.7
463.08792	100.0
464.09232	14.4
553.10126	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	553.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14054	0.9
53.51205	0.8
55.01752	1.7
57.03325	7.3
59.01263	1.3
61.98706	1.2
65.00185	6.2
68.99699	0.8
79.01759	6.3
81.03355	1.3
81.10217	0.8
83.01242	5.4
98.05737	1.0
98.20685	1.7
99.08035	9.6
107.01268	5.1
121.06472	1.1
123.04445	2.5
123.08025	3.0
125.02329	12.7
145.02921	1.1
145.06493	3.9
149.05946	6.6
150.03125	1.1
151.00281	12.5
153.05495	1.2
159.08167	1.3
165.09082	1.7
167.03445	5.5
167.07042	36.4
168.07378	2.7
169.06470	2.6
171.04430	10.8
172.04991	1.2
173.09686	1.7
183.06572	1.8
183.08087	3.4
187.07536	1.7
191.03383	1.0
193.04994	9.6
196.71941	0.8
197.09586	0.9
209.06145	1.5
209.08078	9.0
211.07607	13.5
211.11098	0.9
212.07916	1.1
213.05479	1.8
223.81770	1.0
253.12308	10.7
255.06602	93.0
256.06934	7.2
269.08258	1.5
283.09845	3.8
297.11310	100.0
298.11606	8.0
300.02798	1.2
341.11807	2.4
385.10678	1.9
447.27515	8.2
463.08603	1.1
553.18762	16.0
553.31317	6.2
554.18903	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	553.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17424	1.2
58.47185	1.5
63.51400	1.4
66.97292	1.2
71.40877	2.9
77.45196	1.5
81.03285	1.8
89.03845	5.0
95.04910	2.8
96.95880	2.6
105.03339	3.2
109.02859	12.1
119.04985	1.6
121.02845	1.8
123.04392	1.5
125.02320	10.6
133.02864	13.9
139.03922	9.0
147.04436	1.6
161.02345	32.2
167.03378	2.9
169.01385	3.6
176.85065	1.3
177.01851	100.0
178.02219	6.6
189.01857	51.3
190.02451	3.6
191.03383	3.0
201.01837	1.6
203.03371	3.2
212.79320	1.3
216.00539	5.2
217.01375	61.0
218.01735	2.8
219.02917	5.1
221.00844	4.0
231.02867	7.9
233.00908	4.6
233.04424	3.1
243.41882	1.6
293.04758	1.5
306.18158	1.4
321.03967	3.8
339.05051	3.5
357.06134	55.9
358.06406	5.2
383.04111	6.4
401.05103	61.7
402.05447	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	552.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.6
59.36506	1.4
61.98699	18.7
65.00214	2.2
69.27176	12.6
70.28218	1.2
71.01247	2.2
79.54928	1.2
82.76337	1.2
87.17177	1.1
89.02327	2.5
107.01287	3.6
109.02824	2.1
111.10503	1.3
121.02902	2.7
121.59581	1.2
125.02335	5.6
148.01627	1.4
149.04466	2.0
151.00256	12.8
159.04443	1.4
163.00255	3.6
169.01350	2.1
178.99823	7.4
184.04742	1.5
194.01053	1.3
211.03909	1.5
226.02730	1.8
227.03561	2.4
243.02921	8.1
245.04414	2.0
254.02234	1.6
255.02977	27.9
256.03629	2.0
271.02472	51.5
272.03055	6.5
283.02457	1.6
299.02066	2.0
300.02744	96.4
301.03461	49.4
302.03864	3.2
415.63651	1.5
489.10364	100.0
490.10706	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	552.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05084	1.1
59.01245	4.0
61.98706	43.3
67.47251	1.2
70.41026	2.8
70.41409	2.9
73.57143	1.3
74.42049	1.2
82.01064	1.5
84.30486	1.3
85.63749	1.4
89.02312	1.6
105.03314	1.3
107.01233	3.2
108.02042	2.0
109.02837	2.4
114.42181	1.4
119.04882	1.4
121.02798	2.0
121.97577	1.1
123.00751	3.9
125.02335	25.5
127.97705	1.5
137.02325	2.0
139.03949	1.8
148.01570	1.5
149.02374	2.1
150.03125	1.4
150.95786	1.3
151.00287	8.6
161.02299	5.3
163.00250	2.0
165.01881	2.2
165.05489	1.9
166.99777	1.9
168.00534	3.4
169.01350	33.8
177.01836	1.9
178.99765	3.2
215.88313	1.3
221.08244	1.7
226.02670	1.5
227.03424	2.3
228.03880	1.3
229.05151	1.7
239.07045	1.8
243.02962	10.8
254.02107	2.7
255.02986	24.5
256.03357	3.2
270.37460	1.4
271.02469	54.4
272.02939	6.9
299.01987	1.5
300.02756	100.0
301.03400	20.8
302.03986	1.5
316.02316	1.7
365.52789	1.3
389.25577	1.5
389.91840	1.3
401.12320	2.7
430.83185	1.6
463.08823	2.4
489.10388	98.7
490.10608	12.5
551.30853	1.9
553.13397	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56848	4.1
59.01231	6.5
64.61984	4.0
65.00193	6.6
65.99704	12.0
66.44646	4.0
69.75045	25.5
71.01237	11.0
79.20959	4.6
83.27570	4.5
95.01260	9.3
97.02856	5.1
99.00745	16.8
104.84137	4.5
107.01292	5.2
109.02819	9.1
109.99947	4.2
111.00737	18.3
111.67420	4.2
112.88023	5.4
123.00765	26.7
125.02341	26.4
130.38655	4.2
131.96512	4.9
134.02373	11.2
135.00806	6.3
136.98659	6.1
137.02318	11.1
139.00270	31.1
140.01027	5.5
141.01808	14.0
149.02335	9.3
149.19695	4.0
150.01851	5.8
151.00301	23.8
152.01108	6.4
153.01804	17.6
159.04353	5.9
161.02357	6.3
161.44211	4.2
162.01848	10.4
163.00229	12.2
164.01035	24.0
164.03394	6.3
164.98190	6.2
165.01805	17.6
165.98976	6.9
166.99742	46.2
168.00468	11.9
169.01274	9.8
174.01851	7.7
175.00096	5.0
175.03827	5.3
176.03404	6.1
177.01775	24.6
178.01358	9.4
178.99718	25.0
180.00519	9.0
180.02899	9.2
181.01294	6.6
186.01884	5.9
187.03952	7.0
189.01785	13.2
190.02748	5.5
190.99777	15.6
191.03477	5.9
192.00504	24.8
193.01361	34.8
194.99240	8.9
202.01358	27.8
203.03564	5.8
204.02823	9.2
205.01360	16.2
206.00807	14.5
206.99300	9.8
207.03040	7.9
207.65919	5.1
209.00816	8.2
211.03938	4.6
213.01915	7.7
215.03482	7.5
218.02390	6.0
219.02950	7.7
220.02470	15.2
221.00864	17.3
223.99556	9.2
227.03542	10.3
229.01440	4.8
230.00815	15.9
231.03015	8.7
233.00783	7.4
235.02394	5.1
241.01384	7.0
243.02916	17.1
245.00793	6.5
246.00378	12.8
247.02478	8.2
255.03004	6.6
257.00824	8.7
258.01630	9.2
259.02463	13.1
261.02936	5.2
262.03647	6.0
271.02441	9.0
275.01752	9.7
277.03278	5.4
280.02469	4.8
282.04010	10.9
284.02084	6.4
286.03925	5.3
287.01904	26.8
288.02499	8.3
298.03580	6.3
299.01834	7.7
303.01492	21.9
304.01974	6.4
305.02808	6.2
310.03592	16.8
312.99695	5.7
315.01157	7.2
316.02087	8.5
317.02966	10.5
326.02902	12.6
327.01190	9.3
328.04453	17.2
331.00952	48.8
332.01688	23.4
333.02219	7.1
336.01630	10.4
345.02487	14.1
349.01648	5.0
354.02469	47.0
371.02243	11.7
371.06143	19.6
372.03513	53.3
373.03610	8.4
373.07880	7.9
382.07990	8.4
384.09116	5.4
385.07886	4.9
387.05515	24.2
389.03915	7.2
390.04205	11.1
392.05878	5.4
397.08002	9.1
400.08853	13.5
408.09262	6.7
410.07211	20.8
424.08630	33.4
425.08633	5.6
426.06628	18.3
461.43307	4.6
467.08383	7.3
479.94333	4.9
493.06006	7.3
494.06992	15.8
511.07507	5.6
516.07605	11.9
525.08722	26.8
526.09552	5.7
534.08630	53.0
535.08716	7.2
552.09967	100.0
553.09912	23.9
557.15802	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	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90663	0.9
55.01729	1.1
57.03318	1.7
57.70819	1.0
58.00473	1.2
59.01255	22.9
61.01869	1.0
61.98705	16.4
71.01250	17.5
72.99155	1.3
73.02816	5.1
80.06153	1.1
83.01258	1.6
85.02817	4.2
87.00745	6.8
89.02325	14.1
95.01255	1.8
97.02843	1.6
99.00719	1.2
101.01693	1.8
101.02322	16.7
105.10383	1.1
111.08031	1.7
112.63777	0.9
113.02328	7.4
119.03398	3.1
125.02332	4.6
131.03413	2.2
131.04617	1.0
149.04436	2.6
153.12756	2.9
161.04475	3.5
165.12758	32.6
166.13126	1.9
167.03299	1.2
169.01389	2.4
170.21857	1.0
179.10617	1.0
179.14290	1.3
183.13831	100.0
184.14149	6.8
195.13818	1.6
197.11740	3.8
197.15413	12.8
198.15776	1.8
207.13916	4.8
209.11781	8.5
225.14929	9.4
226.15302	1.4
227.12848	95.5
228.13107	5.5
241.14412	2.7
251.12900	2.3
257.08322	1.3
269.13950	11.6
299.14954	8.8
329.16034	31.9
329.23206	3.1
330.16348	3.3
371.17010	1.7
389.18176	62.3
389.25900	2.8
390.18414	5.2
551.23419	37.1
551.30841	6.1
552.23883	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	551.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.2
56.79847	0.2
57.03312	0.3
59.01254	0.3
65.88451	0.2
67.15575	0.2
69.97166	0.8
69.97580	0.5
71.04892	0.4
85.02808	0.3
89.02374	0.2
96.95889	0.7
99.04389	0.4
102.73399	0.2
103.16299	0.2
111.08072	0.3
113.02345	2.8
113.05996	1.9
114.88956	0.2
117.03355	2.2
119.04910	3.4
121.02854	0.5
122.03634	0.6
125.02329	2.6
127.03915	2.6
127.07535	0.9
133.02863	0.3
137.05067	0.2
137.05949	1.4
139.03932	0.4
139.07558	1.6
141.05437	0.4
145.02856	10.7
153.01845	1.0
155.07050	2.9
163.03918	2.1
165.05441	0.6
167.03368	0.9
167.07080	0.3
168.04190	37.5
169.04568	1.5
183.06551	100.0
184.06883	4.4
279.19672	7.7
280.19916	0.8
281.53900	0.3
317.47073	0.2
331.24982	0.7
385.23801	1.3
401.27258	0.3
405.72842	0.2
411.66827	0.2
445.25928	13.7
446.26221	2.0
459.27359	1.6
460.28082	0.3
477.28632	1.6
478.28848	0.4
511.93842	0.3
545.73468	0.2
551.31152	12.0
552.31085	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	551.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01661	0.3
57.01535	0.2
57.03325	13.0
58.03669	0.3
59.01238	0.6
60.49779	0.2
61.98703	1.1
67.56895	0.2
69.47501	1.4
71.01263	0.6
72.68416	0.2
72.82059	0.3
73.02841	0.2
79.95586	0.2
80.75543	0.2
81.03329	1.5
83.01260	3.5
89.02310	0.4
93.03342	0.5
95.01269	0.3
95.04897	1.3
96.95871	0.2
101.02361	0.3
105.03344	4.7
109.02843	0.9
123.00792	0.4
124.01554	0.3
125.02337	100.0
126.02677	3.4
132.02052	0.4
133.02844	1.2
136.05103	0.3
137.02348	5.7
138.02728	0.2
139.03935	0.5
145.06439	0.3
147.04454	0.4
149.02351	1.0
149.05946	0.4
151.03877	0.5
159.04457	0.4
160.01590	0.4
161.02351	41.7
162.02672	2.5
164.01060	0.5
165.01828	0.6
166.02623	1.3
167.03406	0.6
169.01346	1.0
175.03900	1.0
177.01904	0.3
177.04089	0.3
177.05507	3.9
179.03439	0.5
183.04459	0.3
197.05983	0.7
197.74155	0.2
199.03912	0.3
200.04509	0.2
201.01836	0.6
201.05518	1.3
203.03421	0.3
203.10786	0.3
204.11549	1.1
210.07085	0.3
219.06592	1.1
219.13835	1.2
225.05504	0.8
227.03439	1.1
229.01355	0.9
241.05035	0.7
243.06679	1.1
263.12894	4.9
264.13297	0.7
269.04535	4.5
270.04819	0.6
286.04639	0.4
287.05615	12.0
288.05957	1.3
305.06717	2.6
306.07019	0.5
326.04126	0.3
329.92245	0.2
333.07257	0.3
385.16653	0.5
395.14972	0.4
413.16302	0.4
416.69681	0.2
489.19333	0.3
505.26639	0.6
507.20184	0.3
533.18201	1.6
534.18811	0.5
551.19202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.2
61.56775	0.4
65.00175	0.8
71.01232	0.5
77.03819	1.8
79.01756	2.9
88.66868	0.3
89.02296	0.5
90.84332	0.3
97.02833	1.9
101.02333	0.6
109.02821	0.5
113.02370	0.5
119.03358	0.4
121.02845	4.7
122.03674	0.4
137.02318	1.0
137.05919	0.3
139.03864	0.5
145.06482	0.8
149.02367	1.0
150.03091	1.0
155.08614	0.6
159.08057	0.4
165.01834	5.9
167.07025	0.7
169.06493	0.6
171.04408	1.7
172.05170	0.5
177.01865	1.4
178.02586	1.3
179.03400	0.3
183.03040	0.3
183.06621	0.6
183.08078	2.0
191.03398	0.6
199.07545	1.4
201.09131	0.5
208.94946	0.3
210.01709	0.4
211.07370	0.3
223.07468	0.3
225.09157	2.6
227.07101	5.4
235.08177	0.7
239.07114	0.9
241.08682	1.8
253.09253	2.8
255.06653	2.8
255.23265	19.7
256.23596	0.8
269.08167	100.0
270.05716	0.5
270.08511	8.8
281.08182	4.9
283.09705	1.4
295.09738	1.1
297.11453	0.5
420.19446	0.4
551.17108	9.6
551.29974	0.7
552.17334	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	549.2841
Annotation	Plukenetione C
Peak:m/z	Relative Intensity
51.78704	22.2
59.01248	53.9
99.08050	34.0
121.02828	34.6
141.12840	21.6
167.07095	99.2
168.04158	34.2
183.06554	100.0
210.98178	22.5
254.01573	21.3
269.85126	25.6
443.24042	23.3
499.93121	20.8
549.28699	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.3
59.01257	29.5
61.98693	13.2
71.01248	34.9
71.49248	6.9
73.02816	15.7
80.43744	3.5
83.01264	8.7
85.02821	17.4
89.02296	11.1
99.00760	8.8
101.02314	35.9
113.02325	14.3
113.94439	4.2
125.02309	11.2
150.85561	4.1
161.04404	8.2
179.57971	4.2
179.62199	3.7
250.21210	3.7
287.10309	10.5
337.08218	4.0
357.22736	16.4
358.23572	4.8
406.19434	5.3
417.28607	4.6
489.20215	7.6
489.27045	100.0
490.27548	19.9
517.14417	14.5
518.14825	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	551.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57755	0.2
59.01230	0.3
61.71531	0.2
63.18810	0.2
65.00190	0.9
68.53387	0.2
71.04874	0.2
71.69109	0.2
77.03829	1.8
79.01761	3.2
82.08202	0.2
93.57201	0.2
94.44501	0.2
97.02826	2.7
98.19770	0.3
107.04879	0.2
109.02806	0.5
116.14925	0.2
121.02841	4.5
122.03668	0.3
122.04565	0.2
126.49173	0.2
128.44907	0.2
137.02338	1.0
139.03909	0.4
141.07005	0.3
145.06496	1.0
147.04424	0.5
149.02338	0.6
150.03136	0.9
151.00179	0.2
155.08551	0.3
159.08041	0.4
165.01843	5.6
166.02213	0.3
169.06456	0.7
171.04433	2.3
172.05127	0.3
177.01888	1.6
178.02609	1.3
179.03343	0.3
183.06557	0.3
183.08057	2.1
191.03436	0.6
197.09639	0.3
199.07521	1.2
201.09186	0.6
207.07956	0.3
210.01660	0.4
213.05507	0.3
223.07648	0.2
225.09132	2.4
227.04930	0.4
227.07076	5.6
228.07515	0.3
239.07077	0.7
241.08731	1.3
253.09151	0.3
255.06558	2.5
255.23232	2.6
269.08167	100.0
270.08508	8.9
270.11447	0.4
281.08160	4.0
282.08615	0.4
283.09726	1.9
284.10278	0.2
290.06595	0.2
295.09659	1.3
420.19525	0.3
551.17090	9.0
552.17322	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	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.1
59.01249	6.3
61.98684	1.2
71.01245	7.5
71.49671	1.1
73.02805	2.5
73.69675	0.8
78.37104	0.9
83.01241	0.9
85.02817	2.2
87.00743	1.7
89.02296	3.7
95.01252	1.3
96.95873	1.4
99.00763	1.0
101.02303	3.2
108.02060	1.3
109.02838	1.6
113.02325	2.6
121.02814	2.3
122.81310	0.8
123.00712	3.1
123.04404	0.9
125.02326	2.8
131.61708	0.9
135.04478	0.9
136.01555	48.2
137.02376	8.7
149.02315	1.1
149.04433	1.6
150.03128	1.0
151.00282	9.8
151.03906	61.8
152.01045	0.9
152.04282	2.6
159.04341	0.9
160.05188	1.5
161.02245	1.7
161.04456	1.5
162.03082	1.0
163.03909	1.1
164.04616	0.8
165.01753	1.1
166.01279	1.9
166.02621	27.1
167.03250	2.6
175.03946	1.2
177.01837	2.4
179.03395	0.9
179.07042	0.8
181.04977	41.1
187.03928	0.9
195.03040	0.9
225.11221	1.3
243.12686	0.7
252.08018	0.9
313.10840	1.8
329.10141	2.9
336.06284	1.3
339.08807	1.3
351.08545	2.5
354.07138	1.2
357.09772	14.5
358.09979	1.4
369.09814	4.2
372.12097	6.5
387.14474	100.0
388.14767	14.1
503.24872	3.8
549.16669	1.1
549.28931	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	549.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94122	0.2
63.56544	0.2
63.85874	0.2
71.35626	0.5
74.23220	0.2
77.03826	2.0
93.03340	0.2
121.02843	100.0
122.03167	3.9
131.35649	0.2
137.02296	0.2
147.04402	0.4
165.01842	50.7
166.02174	2.3
180.05734	0.6
181.06514	2.3
197.05997	2.4
199.07706	0.2
207.04411	0.8
207.08113	0.4
223.03865	0.4
225.05580	1.3
226.05888	0.2
251.07169	0.4
257.09720	0.7
302.97812	0.2
313.07095	1.2
357.06183	0.8
358.06458	0.3
373.10605	0.3
383.07813	0.4
386.03558	0.2
417.09766	2.0
418.10226	0.3
461.12305	0.2
491.94229	0.2
505.11316	1.9
506.11987	0.3
549.10376	24.2
550.10736	4.9
552.41718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	8.6
61.33407	1.4
61.98698	3.6
71.01254	12.1
71.49480	2.8
72.05158	1.6
73.02798	2.2
80.39149	1.5
81.23900	1.6
85.02819	3.5
89.02315	6.5
96.95927	2.7
101.02322	4.5
109.02834	2.8
113.02329	3.6
119.03371	2.8
121.02822	6.3
123.00751	3.1
125.02343	7.1
135.04413	2.1
136.01570	31.1
137.02289	6.0
151.00288	14.9
151.03914	42.3
163.03961	2.9
166.02643	41.5
167.03365	2.3
175.00229	2.3
176.01048	4.4
177.01871	2.6
179.07014	4.1
181.04987	47.1
190.02650	5.2
191.03387	5.4
207.02933	5.7
261.13461	1.7
285.03995	1.8
287.05936	1.9
301.03543	2.1
329.10309	2.4
357.09756	12.7
369.09723	4.2
370.08942	2.0
372.12125	6.8
387.14532	100.0
388.14786	13.0
397.45654	2.0
455.80902	1.5
549.29047	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	547.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37555	0.9
59.01249	10.2
65.63013	1.0
69.40533	7.4
71.01255	16.0
72.99165	1.8
78.49747	1.0
82.85401	0.9
83.01263	4.5
85.02827	1.8
87.00745	34.7
98.19814	2.2
111.00751	7.6
112.98687	1.1
113.02308	2.1
115.00255	61.9
125.02322	2.0
127.00254	1.9
129.02946	1.1
139.00281	15.3
154.68324	1.1
157.01331	29.4
159.56601	1.1
169.01331	3.0
175.02391	100.0
176.02725	2.2
279.07574	1.3
280.08554	2.5
295.10867	6.4
323.10028	1.4
325.11835	2.8
327.13373	5.3
339.09808	3.6
371.12473	11.3
384.71924	1.3
391.12860	1.6
399.11768	1.5
399.54349	1.3
401.13376	2.2
429.12875	4.4
431.14719	1.7
435.11838	1.5
454.21857	1.1
467.14423	6.5
470.65897	1.2
485.15399	6.8
486.15793	1.2
487.13879	1.8
547.16138	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	547.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29444	0.3
57.50642	0.3
59.01253	5.4
60.47451	0.3
61.98700	2.3
65.00195	0.3
69.36070	2.0
69.36476	0.7
71.01248	1.0
73.02864	0.4
85.02835	0.4
89.02295	0.4
95.52921	0.3
99.00801	0.3
101.02312	0.6
104.62630	0.3
107.01260	1.0
124.01556	2.9
125.02344	1.5
135.00816	0.6
136.01480	0.7
137.02336	0.5
148.01558	0.4
151.00270	2.8
152.01085	0.9
159.04439	0.4
161.02338	0.5
163.00272	1.1
164.01024	1.5
165.01765	0.4
169.01346	1.2
175.03951	0.6
178.99774	4.7
185.02379	0.3
187.03862	0.5
192.00623	0.4
199.03906	0.7
203.03357	1.6
204.04091	0.5
209.11655	0.4
213.01894	0.3
214.02676	6.4
215.03348	1.8
227.03523	0.4
231.02939	0.5
232.03819	0.7
241.01270	0.5
242.02170	5.7
243.02904	4.7
244.03543	0.5
244.75522	0.3
259.02454	6.7
260.02963	0.7
270.01672	7.5
271.02466	37.9
272.02786	2.9
287.01965	25.7
287.05347	0.3
288.02435	2.8
315.01483	6.6
316.02219	100.0
317.02603	10.9
360.72443	0.3
386.57294	0.3
415.23605	0.4
466.04190	0.4
487.08951	1.0
505.09848	1.1
547.10931	43.3
548.11206	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	547.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40850	0.2
59.01254	1.5
65.00206	0.4
69.30931	1.4
69.31353	0.6
71.01288	0.2
74.25099	0.2
78.86564	0.2
83.01223	0.3
89.02312	0.2
91.01795	0.2
98.20624	0.4
101.02326	0.3
106.23150	0.2
107.01276	0.9
124.01544	3.1
125.02348	0.4
135.00774	0.9
136.01569	0.7
148.01569	0.7
149.99481	0.2
151.00282	2.4
152.01044	1.2
159.04306	0.3
161.02396	0.4
163.00270	1.2
164.01100	1.6
165.01553	0.4
171.04469	0.2
175.03799	0.2
178.99776	3.8
185.02319	0.4
186.03133	0.4
187.03891	0.4
189.01764	0.3
192.00558	0.2
197.02238	0.3
199.03912	0.4
203.03456	1.2
204.04163	0.7
213.01831	0.5
214.02657	8.3
215.03403	1.5
216.03986	0.4
227.03467	0.9
231.02985	0.6
232.03641	0.7
242.02165	6.2
243.02959	5.2
244.03336	0.4
246.01636	0.3
259.02460	7.5
260.02872	0.8
270.01694	7.6
271.02478	42.4
272.02817	3.9
287.01974	28.2
288.02435	3.8
315.01584	2.8
316.02231	100.0
317.02582	9.7
456.42828	0.2
469.82721	0.2
547.10938	36.2
548.02948	0.4
548.11353	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	547.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53441	0.3
54.85421	0.4
56.18707	0.3
57.03325	1.8
59.37313	0.4
60.99180	7.2
69.03322	1.3
70.06799	0.3
70.25706	1.2
70.26051	0.7
79.00225	0.4
80.66906	0.3
81.03290	0.5
83.01248	0.9
88.98682	30.7
95.04855	0.4
97.02837	1.3
105.03355	0.5
107.01267	0.5
109.02852	0.6
123.00754	1.1
124.01539	0.4
125.02340	55.3
126.02682	1.7
137.02315	1.9
139.00301	0.5
139.03864	1.1
140.01099	0.5
161.02322	4.1
163.03679	0.4
165.01846	2.0
166.99808	0.4
167.03436	1.6
169.01343	100.0
170.01689	4.6
175.03775	0.5
177.05510	0.6
179.03419	0.5
193.01367	1.6
195.44849	0.4
219.06619	0.8
243.02815	0.4
269.04663	1.1
287.05588	1.5
305.06638	4.7
306.07214	0.6
319.04678	0.5
331.04599	1.5
457.07773	8.0
458.08124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.1
57.03312	0.8
58.00454	1.5
59.01247	13.3
61.98701	2.5
62.89113	0.7
65.14693	0.6
69.03332	1.3
71.01248	9.8
71.28711	1.0
73.02819	2.3
77.40986	0.6
83.01270	0.9
83.04899	1.2
85.02840	3.2
87.00777	1.8
89.02308	11.3
90.02632	0.7
91.03853	0.6
95.01270	0.7
101.02322	10.6
109.06478	1.1
110.09697	0.5
111.08046	16.1
112.08321	0.7
113.02323	4.6
119.03401	2.5
124.04700	0.6
125.02358	1.1
127.07497	0.9
129.01860	0.6
131.03369	1.2
138.97815	0.6
141.09155	0.6
143.03435	0.8
145.09065	0.6
151.11179	1.0
153.12750	1.7
161.04459	5.5
169.12276	6.9
169.29787	0.5
179.05533	2.4
179.10628	0.9
181.12238	2.1
183.13797	1.6
197.11760	77.8
198.12122	4.9
199.13315	5.8
209.15442	1.1
211.13373	9.3
227.12849	1.8
253.09259	52.4
254.09618	2.7
263.20139	5.3
264.20505	0.9
265.18069	1.4
273.18494	2.1
291.19641	28.0
292.20062	3.1
299.99527	0.7
309.20700	100.0
310.21060	10.4
316.02081	0.7
330.26862	0.6
463.08795	0.7
545.29584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31827	0.5
55.01751	0.7
57.03311	1.3
58.00468	0.9
59.00956	1.0
59.01243	14.1
61.98696	1.7
68.03224	0.5
69.03329	0.8
71.01243	10.8
71.49495	0.7
72.99178	0.8
73.02803	2.3
83.01237	1.5
85.02811	3.0
85.64462	0.5
87.00734	1.6
89.02313	10.1
91.03857	0.9
93.06970	0.6
95.01251	0.7
97.02802	0.6
99.00733	1.0
101.02309	12.5
111.08031	21.9
112.08382	0.6
113.02308	5.1
119.03393	2.7
125.02322	1.3
127.07520	0.8
131.03409	0.6
143.03372	1.8
149.04465	0.5
151.00310	0.7
151.11162	1.2
153.12746	1.4
161.04466	6.6
167.10669	0.6
169.12239	8.5
179.05449	1.8
179.10768	0.6
181.12238	1.5
183.13766	1.1
191.05554	0.6
193.12329	0.6
197.11745	96.0
198.12053	5.9
199.13309	6.4
209.11655	0.5
211.13322	10.4
212.13850	0.6
227.12863	2.2
234.95853	0.5
235.08072	0.8
247.17435	0.5
247.20497	0.8
249.14932	0.6
253.09238	53.1
254.09454	2.7
255.02930	0.8
263.20093	4.8
265.18069	3.5
271.02454	2.1
273.18619	1.2
291.19632	26.4
292.19928	3.5
300.02716	3.2
301.03302	1.6
309.20679	100.0
310.21021	11.0
313.71188	0.5
316.02078	1.3
332.13156	0.5
463.08652	0.6
545.08978	0.8
545.29462	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	545.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79583	0.8
53.38237	0.8
57.03053	1.2
57.03318	17.1
59.01245	3.7
61.98690	0.8
71.01246	2.6
71.50439	0.9
80.18793	0.7
81.03316	1.2
83.01241	3.2
86.32899	0.7
87.33229	0.8
88.98679	1.1
89.02308	2.1
96.95870	2.5
101.02319	1.3
109.02812	3.1
124.01527	5.2
125.02330	91.2
126.02667	3.0
137.02293	1.4
147.00780	1.4
149.02394	0.9
150.58380	0.7
151.03886	1.1
153.01840	1.0
160.01547	1.7
161.02206	0.9
163.00267	0.9
164.00945	1.6
165.05457	1.3
169.01265	1.0
175.03899	1.1
177.01872	1.2
182.03548	4.5
183.04445	1.6
185.02315	1.0
187.07706	0.9
195.04433	0.9
196.05179	2.3
197.05872	2.1
198.03131	1.3
199.03882	3.7
203.03456	0.7
209.09630	0.8
210.03148	17.1
211.03923	11.2
211.07512	2.8
212.04501	1.6
212.08620	0.7
213.05496	2.8
213.09099	0.7
214.06102	0.9
221.05992	1.8
222.06783	1.3
223.03989	2.4
223.07526	0.9
224.04736	6.4
224.08366	0.9
225.05505	2.3
225.09071	0.9
226.02769	0.8
226.06303	0.9
227.03453	6.2
227.07056	2.7
228.04047	1.5
228.07808	1.6
231.02914	0.7
235.07541	1.6
237.09229	2.0
238.06287	1.3
239.03429	1.6
239.07086	19.6
240.04221	3.2
240.07561	2.9
241.04887	2.4
241.08321	0.7
243.02910	0.7
245.08067	0.9
249.05463	2.4
250.06348	1.7
251.03409	2.5
251.07065	1.2
251.10710	1.1
252.04163	0.9
252.07776	0.9
253.08685	2.9
254.09174	1.4
255.02957	1.6
255.06680	1.4
255.10184	2.6
256.03720	0.9
256.07370	5.6
257.08200	4.1
257.13535	0.8
261.09283	1.6
263.07126	4.7
265.05066	1.6
266.06125	0.8
267.02948	5.8
268.03729	10.0
269.04318	1.6
271.09711	7.7
277.08679	2.0
279.06796	1.7
279.10242	6.2
280.07333	0.9
281.08252	2.4
283.02444	1.1
284.03262	6.9
285.03973	11.5
286.04636	1.6
289.05023	1.0
290.05872	1.2
291.06689	1.5
292.07614	1.1
295.09705	1.5
297.07904	1.3
297.11365	2.4
303.10339	1.9
307.06067	4.5
308.06763	2.0
309.07651	1.7
311.12695	0.8
313.10742	0.8
316.02249	1.4
319.09680	1.9
321.07642	2.2
321.11285	2.6
335.05576	1.4
336.06360	13.1
336.10175	0.7
337.06763	1.5
337.10754	1.5
339.08661	3.6
339.12415	1.3
347.09241	8.9
348.09503	1.5
365.10251	100.0
366.10565	12.5
382.10461	3.8
383.11127	4.8
419.13412	13.5
420.13837	1.6
447.09305	6.8
448.09839	2.2
463.08569	1.4
505.80963	0.8
540.23846	0.8
545.16614	6.1
546.17017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
59.01231	0.3
61.90974	0.3
61.98701	100.0
63.81723	0.2
66.52458	0.2
69.14883	0.5
69.15221	3.0
69.84653	0.3
72.28693	0.2
82.15911	0.2
89.02296	0.3
96.22022	0.2
98.20577	0.5
108.06367	0.2
125.02335	7.7
134.03659	0.3
137.02382	0.7
144.97346	0.2
161.02357	3.3
161.57822	0.3
165.01866	0.3
184.75620	0.3
193.05003	1.7
271.02719	0.3
285.04007	0.6
287.02097	0.4
287.05728	1.2
305.06674	1.6
315.01590	0.6
383.11487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77026	0.2
57.03313	0.7
59.29433	0.2
69.33226	1.9
79.95607	2.4
96.95886	100.0
97.95821	0.4
109.02824	0.4
116.22538	0.2
124.01563	0.3
125.02333	4.4
151.00291	0.6
164.01068	0.3
175.03851	0.2
177.01755	0.2
178.38123	0.2
210.03175	0.7
211.03934	0.6
213.34035	0.2
227.03487	0.6
232.33717	0.2
239.07097	0.7
255.02924	1.1
256.03571	0.3
267.03009	0.2
268.03964	0.2
271.02341	1.1
271.09808	0.3
279.10062	0.4
283.02655	0.3
284.03259	0.8
285.03958	1.1
300.02774	2.7
301.03464	2.1
365.10229	3.6
366.10669	0.5
382.10300	0.4
383.11005	0.5
419.13455	0.4
422.41202	0.2
425.57874	0.2
447.09296	4.4
448.09909	0.6
538.24701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50564	0.3
59.01268	0.4
60.31787	0.3
61.98693	0.5
65.06911	0.3
69.91670	0.4
71.01256	0.5
71.04932	0.4
71.40855	0.7
80.02556	0.9
81.03348	1.3
81.84034	0.4
82.20416	0.4
82.98315	0.4
83.01263	1.0
83.04887	4.0
84.02039	1.0
95.04905	0.5
97.06498	0.9
111.08094	0.5
122.35764	0.4
125.09624	1.2
135.08069	0.7
145.02840	0.5
163.11189	3.8
165.11406	0.5
165.12769	9.0
166.13142	0.7
181.12282	0.8
183.13831	100.0
184.14172	6.1
191.10735	1.3
207.10136	0.4
209.11771	67.7
210.12077	4.4
211.13275	1.1
225.11227	0.4
225.66995	0.4
227.12842	17.9
228.13199	1.1
283.15552	1.1
301.16568	6.8
302.16815	0.7
313.03488	1.2
375.25281	0.5
393.26239	1.2
467.29749	1.8
493.27798	0.5
511.29086	23.4
512.29510	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	543.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	26.3
64.21281	25.2
65.00198	45.9
69.94425	55.7
69.94837	69.9
71.01237	21.2
83.01268	39.2
86.24757	21.6
90.22691	24.2
95.01258	37.3
98.19830	27.3
99.00770	45.7
107.01184	23.9
108.35219	23.6
111.00785	80.4
123.00816	57.7
124.98775	21.8
125.02341	70.9
127.00265	41.5
133.02896	39.0
135.00827	26.9
137.02347	29.5
139.00264	100.0
141.01807	39.3
145.02843	37.3
147.04431	27.7
149.02382	44.6
151.00278	98.5
153.01799	57.6
154.99757	76.3
159.04572	24.3
161.02325	47.4
163.00275	26.1
164.00967	30.4
165.01886	39.1
165.99016	28.2
166.99791	41.7
169.01395	27.3
175.03824	40.3
177.01869	64.0
178.99773	67.8
189.01746	37.3
190.02521	26.6
191.03387	53.0
193.01321	62.3
194.99310	52.8
197.00876	30.4
197.97498	25.1
201.01790	31.1
203.03360	34.0
205.01393	32.4
206.02016	27.1
207.02856	27.7
208.00108	26.5
209.00880	28.4
217.01353	48.3
219.02859	66.1
221.00800	33.9
229.01328	40.8
231.02934	24.1
233.00905	36.1
245.00841	65.1
247.02438	67.3
273.00388	34.5
275.01953	95.5
277.16730	22.6
291.01401	55.9
301.00012	32.2
319.00937	72.6
332.01736	31.7
418.48816	27.0
497.46094	30.0
525.05701	31.2
543.07562	41.4
543.17157	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	68.9
69.89674	23.3
71.01232	25.8
73.02837	7.3
85.02838	9.0
89.02299	38.0
99.00761	9.8
101.02310	18.4
113.02299	7.0
119.03407	5.3
125.02316	13.9
131.03403	7.6
149.04468	39.8
165.87044	5.2
169.01285	7.1
180.90697	5.1
190.01222	5.4
191.05687	7.0
203.20290	6.1
251.07571	6.2
479.08420	8.0
481.22952	13.1
505.26492	55.1
506.26950	7.7
516.14417	6.2
541.24188	100.0
542.24487	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3019
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
59.01250	86.8
61.98697	5.1
71.01251	3.4
85.02833	1.0
89.02325	2.5
96.95868	0.7
97.02884	0.5
97.06476	1.1
99.04398	1.2
100.86318	0.5
101.02329	2.4
113.02329	4.7
119.03406	2.0
125.02360	0.9
143.03484	0.6
161.04480	2.0
189.12794	0.9
217.15923	7.3
219.17398	0.9
221.06624	0.7
263.16422	1.0
319.22775	100.0
320.23065	12.5
333.24393	1.2
343.22754	2.7
361.23792	3.3
373.23795	0.9
443.87708	0.6
474.44403	0.8
481.27902	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	542.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94377	18.8
59.40521	19.2
64.23924	18.3
65.00200	20.8
70.08910	18.0
71.48904	38.9
84.04231	19.9
89.60579	20.0
96.99190	19.3
107.01245	26.1
111.00773	55.1
123.00752	63.8
125.02332	68.1
133.02757	28.3
137.02327	24.5
139.00237	63.3
141.01837	47.1
147.04305	27.8
149.02342	30.3
151.00261	100.0
153.01765	23.6
154.99767	44.9
155.62383	19.7
161.02467	34.7
163.00258	30.5
165.01807	25.0
166.99754	65.0
173.02370	29.6
178.99782	67.1
189.01791	32.0
193.01367	46.3
194.00853	98.1
194.99321	25.3
195.01175	49.1
196.01427	29.0
201.01974	25.1
203.03351	28.1
205.01376	38.7
206.99251	23.4
217.01407	39.7
219.02870	54.7
225.00359	33.9
229.01503	27.5
231.02878	24.6
243.03259	20.9
245.00894	30.6
247.02336	38.6
251.73053	24.0
263.01965	29.2
271.02396	30.6
273.00558	28.8
275.02032	51.8
287.02005	29.5
291.01395	44.0
300.99844	28.4
302.78220	19.8
316.02280	56.0
317.02551	24.2
319.00949	71.2
322.55762	21.3
327.01190	27.0
359.06204	43.4
479.08340	70.3
495.08060	21.8
542.09857	28.0
543.08081	31.2
546.01471	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18151	0.9
57.03316	12.8
59.01234	2.7
61.98695	3.6
67.74039	0.9
71.49422	1.5
79.50887	0.8
81.03320	2.2
82.57452	0.9
83.01256	4.9
92.55368	0.8
93.03314	1.2
95.04918	4.8
97.02871	0.9
105.03336	4.2
109.02853	3.5
109.06455	1.5
117.06939	1.5
121.02833	1.0
123.00832	1.2
125.02337	100.0
126.02655	3.4
132.84427	1.0
135.08046	0.8
136.27800	0.9
137.02347	8.1
137.05962	4.2
139.03886	4.0
161.02348	36.2
162.02820	1.2
163.70172	0.8
165.01782	4.6
165.05542	1.0
165.27721	0.9
167.03391	4.3
169.01311	1.2
175.03888	1.8
177.01855	1.1
177.05481	4.5
179.03381	3.7
191.06972	1.1
191.14346	44.6
192.14612	2.8
201.05447	2.4
203.03632	1.0
209.15486	1.3
219.06557	3.3
221.04517	1.3
225.05492	1.6
253.14424	25.8
254.14745	2.8
261.07571	1.8
269.04422	5.7
287.05566	10.0
287.16507	1.3
305.06680	24.3
306.06943	1.8
329.03030	2.3
338.64334	1.0
344.05356	2.0
541.13202	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	541.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
61.98702	5.2
71.01252	0.4
71.49315	0.3
71.49683	0.6
85.02825	0.9
93.03385	0.4
96.95887	0.4
117.03354	1.2
121.02836	0.9
125.02352	1.9
132.02089	0.4
133.02837	1.0
134.03633	43.9
135.03938	2.0
137.02344	5.9
139.03935	2.6
149.05989	12.4
150.03098	0.7
150.06310	0.6
160.01561	4.3
161.02361	0.5
165.01846	0.5
169.01331	1.4
175.03925	5.7
176.04317	0.6
178.02640	23.7
179.03001	1.3
193.04993	100.0
194.05313	6.1
203.12772	0.5
205.90096	0.3
211.13333	0.7
235.06233	0.4
249.70062	0.3
319.09109	0.3
355.10352	6.6
356.10651	0.5
379.17596	3.5
380.17514	0.3
412.03729	0.4
541.22534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	41.4
69.22994	13.9
69.23403	3.8
74.83997	1.7
82.93069	1.5
83.39658	1.7
84.99723	1.8
89.02319	3.2
99.17678	1.6
125.02308	5.7
132.21428	1.6
133.76370	1.9
134.98228	1.7
148.73618	1.9
151.00310	5.2
159.04265	2.0
163.00319	2.6
164.01112	1.9
169.01355	3.0
178.99738	3.3
203.03535	2.8
203.80518	1.8
215.03439	2.9
231.02972	4.0
242.02104	2.2
243.03001	9.4
259.02451	11.4
261.26660	1.9
269.04480	2.0
271.02490	18.6
272.02838	2.4
287.01926	23.1
288.02420	4.0
299.10538	1.9
314.13327	1.8
315.01483	37.6
315.04865	3.4
316.02081	17.2
330.03775	56.5
331.04514	49.9
332.05124	2.7
355.08493	2.0
377.33646	1.7
386.70038	2.0
477.10345	100.0
478.10580	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	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
55.79416	0.6
57.03329	1.1
58.00473	1.1
59.00999	0.9
59.01257	10.9
71.01253	13.0
71.01633	1.2
71.02418	1.4
71.02785	0.6
72.99159	1.1
73.02818	2.7
75.00766	0.8
83.01241	3.0
85.02821	7.2
87.00768	1.3
89.02329	6.0
90.60362	0.7
93.03336	3.6
95.01265	1.5
96.95882	8.5
99.00761	1.7
101.02317	10.8
108.02039	0.7
109.02817	1.1
111.00711	0.8
113.02323	6.3
117.01855	0.7
119.03388	1.9
121.02826	6.8
122.03638	13.2
123.04371	2.0
124.01572	0.6
125.02348	1.4
129.01805	0.6
132.02090	0.8
133.02838	5.0
134.03651	2.0
135.04475	1.4
136.01569	0.9
137.02380	0.9
147.04478	1.5
149.02354	30.1
149.05980	1.4
150.03131	95.4
151.03412	3.7
153.01846	1.4
161.04471	1.0
162.03102	1.9
164.04703	7.0
165.05481	100.0
166.06021	6.9
167.07050	0.9
169.72873	0.6
177.05486	2.4
180.04205	5.9
181.08641	6.0
195.06557	51.5
196.06894	2.3
245.36058	0.7
283.09836	0.6
284.91281	0.6
302.91196	0.7
314.11624	4.8
315.12100	1.1
329.13913	9.4
330.13947	1.1
343.14008	19.3
344.14273	2.1
397.15396	0.8
424.35440	0.7
491.19220	95.1
492.19626	14.9
515.82117	0.6
539.21466	8.5
540.21515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3067
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
59.01246	100.0
71.21328	1.2
71.49187	2.1
71.65100	1.1
87.00755	1.2
100.45349	1.2
117.25221	1.5
133.02844	1.6
160.01546	1.2
171.10170	9.6
175.03932	2.8
211.13432	1.3
231.13950	1.3
233.15356	1.8
249.14819	3.4
332.42310	1.2
347.64740	1.2
385.23605	1.8
459.27600	8.6
460.27756	1.9
465.25610	1.2
477.28622	8.8
537.30365	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.3
61.98677	0.8
66.40747	0.4
67.86149	0.5
77.03834	0.7
77.32685	0.5
85.02831	1.0
89.02338	0.9
91.03890	1.0
93.03315	0.6
95.04900	2.1
105.03327	6.9
117.03354	0.7
119.04919	1.4
121.02842	1.1
123.04385	1.4
132.02060	4.3
132.86421	0.5
133.02844	42.0
134.03645	21.0
135.04430	6.7
136.01610	0.7
137.02350	6.2
137.05899	0.8
139.03894	4.0
147.04463	3.1
149.05972	3.7
150.03082	1.4
150.81201	0.4
151.03940	0.5
153.05460	0.5
157.51320	0.5
160.01558	19.6
160.05200	1.2
161.02357	14.5
161.05977	1.8
165.01845	0.6
171.04477	0.8
171.08095	0.8
175.03918	44.0
176.04301	2.6
177.01825	4.7
178.02669	5.8
178.04103	0.8
179.03409	5.9
193.05013	12.5
194.02141	1.4
194.05302	0.9
265.08731	0.6
269.08173	2.0
269.21286	0.8
287.22287	5.0
288.22717	0.5
343.19626	0.6
347.18695	0.5
361.20175	1.7
371.16656	1.1
373.15353	0.5
431.24377	5.7
432.24927	0.7
445.25906	8.5
446.26331	0.9
449.25470	1.9
450.25992	0.9
463.27008	31.3
464.27338	4.9
501.19656	0.5
522.28333	2.4
537.30658	100.0
538.31006	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	537.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	14.7
59.01249	0.5
61.98696	2.1
71.01245	0.5
71.49178	0.3
71.49585	0.4
75.05910	0.2
75.18939	0.2
81.03319	1.7
83.01256	3.5
85.02842	0.3
87.86446	0.2
93.03324	0.5
95.01212	0.3
95.04912	2.0
97.02844	0.5
97.30974	0.2
105.03348	4.9
109.02827	1.2
117.03276	0.2
121.02821	0.7
123.00790	0.6
123.04413	0.3
124.01553	0.5
125.02335	100.0
126.02666	3.5
132.02055	0.3
133.02869	1.2
135.04434	0.3
137.02342	7.2
138.02879	0.3
139.03905	1.2
141.14630	0.2
145.02835	0.5
145.06505	0.3
147.04411	0.3
149.02353	1.2
149.05981	0.4
149.76945	0.2
151.03906	0.4
159.04419	0.6
161.02348	46.1
161.13257	0.9
162.02693	2.6
162.32214	0.2
163.03894	0.2
164.01042	0.5
165.01830	1.3
166.02602	0.8
167.03413	2.6
169.01358	0.5
173.05930	0.6
175.03937	0.8
177.05493	3.3
179.03394	0.9
183.04378	0.5
185.02301	0.3
193.01395	0.4
197.06017	0.4
199.03835	0.5
201.01753	0.4
201.05457	1.7
202.05901	0.2
203.03441	0.4
204.04163	0.4
205.12225	1.8
213.05421	0.3
218.05672	0.3
219.06564	1.6
221.04427	0.5
225.05536	0.9
227.03481	0.8
229.01361	0.9
241.05133	0.3
243.06665	1.2
243.19453	0.3
244.07007	0.2
245.04565	0.2
249.11278	0.7
261.07513	0.7
269.04532	4.6
270.04977	0.4
287.02390	0.5
287.05597	8.1
288.05948	1.0
305.06635	6.4
306.06976	0.6
385.13275	0.3
399.14401	1.1
405.25082	0.8
407.17426	0.2
449.19757	0.2
493.18338	0.5
496.57980	0.2
537.18024	0.6
537.28656	2.4
538.29340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.2
58.00462	0.7
59.01251	9.4
61.98700	1.1
69.03323	1.5
71.01254	11.4
71.20614	0.3
72.99183	0.8
73.02818	1.7
75.00744	0.6
81.03321	0.7
81.25747	0.2
83.01236	1.0
85.02810	1.4
87.00746	0.6
89.02316	15.9
90.02634	0.3
93.03334	33.7
94.03670	0.9
95.01241	0.5
97.02827	2.2
99.00756	2.6
99.04397	0.5
101.02332	2.8
108.02008	0.3
111.00733	0.3
113.02328	1.3
115.03886	1.3
119.03382	0.3
119.04871	0.2
121.02855	1.3
123.00765	0.2
123.04419	0.2
125.02339	8.6
126.02689	0.4
127.03878	0.2
131.03394	1.9
137.02342	100.0
138.02675	4.3
143.03415	0.7
149.04460	2.2
169.01288	0.4
181.06480	0.2
191.05560	1.5
199.07578	7.9
200.07901	0.7
233.06612	6.7
234.07001	0.4
237.03404	0.2
243.06601	8.2
244.06909	0.5
245.59689	0.2
293.08762	5.9
294.09186	0.4
339.15170	0.2
537.15796	0.9
537.29272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06351	0.2
59.01247	0.6
61.98700	0.9
63.96429	0.2
66.12505	0.2
67.01772	0.4
69.03326	1.5
69.45284	1.7
71.01224	0.4
79.01773	0.3
81.03337	0.5
83.01279	0.6
89.02319	0.3
93.03345	0.2
93.06960	0.2
95.01249	0.6
95.04872	0.3
97.02841	1.5
98.59196	0.2
99.00737	0.2
101.02283	0.2
105.03346	0.7
107.01260	0.9
109.02815	1.0
111.04383	0.2
119.08611	0.4
121.02889	0.3
121.06474	0.9
123.00777	1.2
124.01559	1.0
125.02338	53.6
126.02689	1.7
133.02847	0.3
137.02321	0.7
137.09637	0.5
138.03067	0.3
139.03917	1.8
145.02809	0.2
149.02396	0.4
151.04007	0.4
157.94144	0.2
160.63371	0.2
161.02354	5.8
161.04463	0.2
161.09662	2.9
163.07582	0.6
165.01843	0.6
166.02600	0.2
166.99783	0.5
167.03427	1.8
168.00546	0.4
169.01341	100.0
170.01671	3.9
175.03903	0.4
176.04633	0.2
177.01846	0.7
177.05536	0.6
179.03362	0.2
193.01366	4.2
194.01761	0.2
203.03392	0.3
205.08638	9.7
206.08969	0.7
207.10153	0.4
217.08620	1.3
219.06598	0.3
221.04510	0.5
245.08185	1.3
246.08669	0.3
247.02420	0.3
259.09729	0.7
263.05481	0.4
275.05414	0.3
299.12967	0.3
319.04584	0.4
341.13940	0.5
349.10980	0.5
351.87946	0.2
367.11877	1.3
385.12915	10.5
386.13217	1.5
411.10947	2.7
537.13843	1.2
537.32880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.2
61.98694	1.5
65.03826	0.4
69.28980	1.2
71.01252	1.2
75.00749	1.4
83.01251	0.1
83.39832	0.1
88.98661	0.1
89.02313	1.7
93.03326	38.6
94.03669	1.3
99.00762	0.2
101.02304	0.3
104.65059	0.1
107.15649	0.1
108.02028	0.3
109.02847	0.2
113.02357	0.2
113.21342	0.1
115.03936	0.1
121.02806	0.2
123.00789	0.1
123.04353	0.2
125.02309	1.1
131.03363	0.2
137.02333	100.0
138.02669	3.3
143.03258	0.1
143.04509	0.2
147.04366	0.2
149.04514	0.3
152.01117	0.2
159.04422	0.2
160.05234	0.4
161.02377	0.2
161.05904	0.1
163.03864	0.3
167.03340	0.2
169.01262	0.3
173.05890	0.1
175.07599	0.4
177.05531	0.3
191.05347	0.2
199.07532	0.6
228.92305	0.1
233.06705	0.6
239.07185	0.2
243.06570	1.7
243.08728	0.2
252.65088	0.1
254.05685	0.2
266.05826	0.3
267.06677	0.5
269.08142	0.3
281.08203	0.5
281.96027	0.2
287.22427	0.4
293.08707	0.6
321.01843	0.1
335.56723	0.1
340.71429	0.1
385.12781	0.1
414.36682	0.2
429.13470	0.2
444.16037	0.1
459.18250	0.3
477.19177	1.5
478.19464	0.3
489.19214	2.7
490.19556	0.3
507.20319	0.2
537.15723	0.3
537.29529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94308	0.5
59.01255	0.5
60.99174	17.5
69.43443	1.9
69.43872	2.5
71.01265	0.6
88.98676	100.0
89.98998	1.1
98.20653	0.7
103.01344	0.5
107.01274	0.9
108.02020	0.5
109.02832	1.1
115.37433	0.5
121.02847	1.7
125.02357	0.7
145.44072	0.5
151.00278	5.6
159.04477	0.6
163.00179	1.0
169.01421	0.7
178.99783	3.4
227.03487	0.8
229.05193	0.7
243.02887	2.9
245.04572	0.8
246.10921	0.6
254.02075	0.8
255.02963	9.3
256.03448	1.0
271.02487	16.0
272.02936	1.6
283.02530	1.1
300.02740	43.5
301.03494	32.0
302.03772	2.7
318.01187	0.5
412.41446	0.5
447.09286	58.2
448.09647	8.9
537.32654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44561	0.3
52.49184	0.3
52.71403	0.4
59.01249	0.8
61.05425	0.4
61.98705	1.7
67.24944	0.4
69.03332	1.6
69.21040	0.3
70.66001	0.3
71.01254	0.7
71.48749	0.6
74.48170	0.3
81.03356	0.7
83.01251	0.4
85.05504	0.4
93.06841	0.3
95.01260	0.8
95.04908	0.5
97.02843	1.7
98.54849	0.4
101.02328	0.4
105.03341	0.9
107.01304	0.5
109.02838	1.4
114.87077	0.3
121.02833	0.5
121.06496	1.0
123.00779	1.1
124.01569	1.1
125.02335	59.1
126.02708	2.1
137.02316	1.1
137.09641	0.4
139.03961	1.8
149.02351	0.5
151.03912	0.6
161.02341	6.6
161.09639	3.3
163.07587	0.6
165.01880	0.6
167.03413	2.1
168.00580	0.6
169.01334	100.0
169.15198	0.4
170.01672	4.7
175.03877	0.7
176.01062	0.5
177.01711	1.0
177.05424	0.4
179.03224	0.4
193.01347	4.3
203.03499	0.6
204.04276	0.3
205.01358	0.5
205.06696	0.7
205.08636	11.4
206.09010	0.5
217.08701	1.6
219.06607	0.4
221.04591	0.9
245.08171	1.6
247.02577	0.4
258.93063	0.4
259.09818	0.6
263.05472	0.4
279.13742	0.4
349.10693	0.4
367.11777	1.1
385.12900	8.9
386.13101	1.6
411.10623	2.3
432.29459	0.4
437.66077	0.4
465.13522	0.4
537.14026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	37.8
61.98706	11.2
63.80878	7.3
63.84520	6.8
65.00209	15.4
68.99691	6.8
69.30987	35.4
69.31411	26.0
71.01244	21.0
81.03329	9.1
83.01270	12.1
85.02837	9.9
87.00769	11.1
89.02296	11.7
91.36398	6.5
95.01260	15.1
99.00723	7.1
99.25930	6.9
101.02334	9.5
107.01268	18.5
109.02806	9.4
111.00781	16.5
111.28516	6.5
113.02357	10.5
113.24470	7.0
123.00771	11.9
124.01552	13.7
125.02345	100.0
137.02364	19.7
139.00259	23.2
139.03918	10.2
143.04970	8.0
145.02849	8.4
147.04445	7.2
149.99509	10.3
151.00276	70.9
151.11226	11.6
152.00902	7.0
153.98972	7.6
154.99762	19.3
161.02318	30.2
164.98332	7.9
165.01810	15.6
166.99814	8.5
167.03362	19.8
168.00577	10.8
169.01370	44.6
174.03157	8.5
175.03883	17.8
177.01797	17.7
178.99753	82.7
182.04590	6.9
185.02330	8.7
189.01825	18.9
190.02686	17.3
191.03429	13.0
192.54124	7.7
193.01349	22.7
195.10191	9.0
201.01859	11.6
202.02707	8.2
203.03421	26.6
205.01242	10.4
213.01982	9.3
215.03459	15.8
217.01363	19.3
218.01982	9.6
219.02911	14.7
221.00722	8.3
229.01291	9.8
231.02913	21.2
233.04482	21.0
243.02911	15.8
245.00867	14.7
246.01578	14.0
247.02408	9.0
248.03162	8.7
257.00955	11.4
259.02499	34.5
259.99667	12.9
261.00342	31.7
261.03516	6.4
274.01184	8.4
275.01913	13.8
276.02701	9.7
278.00543	10.3
287.02069	68.9
302.00644	12.4
303.01349	32.5
304.02173	28.6
305.06763	7.5
309.12021	8.6
312.99820	22.1
331.00900	92.6
332.00967	8.0
348.01169	42.3
375.27359	13.1
385.13000	42.6
449.07388	12.9
519.07751	52.2
520.08148	11.1
537.08807	46.1
537.33051	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09403	9.2
53.74025	8.7
65.99732	12.0
82.68483	8.3
90.64500	8.9
95.01234	16.2
98.20580	20.5
99.00724	27.3
109.02830	19.7
111.00756	15.1
123.00778	33.6
125.02338	28.0
134.02373	19.6
137.02322	23.8
139.00247	19.3
141.01801	12.8
148.01582	13.1
151.00262	27.1
151.69531	9.3
152.00912	14.5
153.01816	20.4
161.02368	12.2
162.01877	22.7
162.03284	9.3
163.00238	22.0
164.00999	27.3
164.27124	9.2
165.01834	25.7
166.99759	44.0
177.01833	32.1
178.01323	16.7
178.99818	54.8
181.01372	12.6
190.99748	11.5
192.00528	27.7
193.01344	41.3
194.99269	14.3
202.01372	26.5
203.03352	17.3
205.01340	13.2
215.03491	17.8
220.02617	14.8
227.03502	12.3
230.00940	23.9
231.03011	13.6
243.03018	12.5
246.00342	11.4
259.02475	16.4
271.02518	15.0
287.01910	35.5
288.02365	14.4
303.01315	18.4
304.01956	10.3
310.03662	19.4
315.01306	16.5
316.02237	23.2
317.02698	10.4
326.02881	9.9
331.00946	32.7
332.01517	13.2
354.02490	25.3
355.06628	22.5
356.03931	14.1
372.03525	32.0
383.06085	13.7
394.07767	17.3
410.07346	20.8
464.09335	11.2
509.09482	28.1
518.09241	41.8
536.10547	100.0
537.10150	12.6
562.02246	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	536.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	10.2
63.90040	3.9
65.00191	13.7
65.99719	17.1
68.99680	6.0
83.01263	7.3
89.17949	5.7
91.61024	4.3
95.01258	19.2
97.02903	5.1
99.00761	34.1
106.02860	4.7
107.01248	6.0
109.02834	14.7
110.02412	4.9
111.00777	21.2
113.02271	4.5
119.01357	4.4
120.00747	5.2
121.02825	9.1
122.02415	4.8
123.00772	51.1
124.01585	12.8
125.02320	47.0
132.04471	7.8
134.02370	16.2
135.00764	16.6
136.98700	9.3
137.02342	30.8
138.01799	6.3
139.00285	37.7
140.01038	9.0
141.01816	20.3
146.02422	7.5
147.00769	9.5
149.02325	13.6
149.99545	4.8
150.01817	10.8
151.00287	37.9
152.01128	10.9
153.01842	32.3
154.52162	4.2
154.99820	7.6
158.02383	5.2
159.04366	5.2
161.02321	8.1
162.01877	27.9
163.00264	29.3
163.03915	6.9
164.01068	51.8
164.03429	14.1
164.98126	7.9
165.01877	29.3
165.98997	9.0
166.99776	52.0
167.02156	5.0
168.00516	14.7
169.01335	10.8
171.04482	8.4
173.02296	6.4
174.01880	11.3
174.03230	5.9
175.00272	12.9
175.03940	12.7
176.01096	6.3
176.03448	11.6
177.01836	36.6
178.01350	13.6
178.99792	44.6
180.00452	10.7
180.02859	8.9
181.01332	13.0
182.01997	4.3
183.02951	4.7
186.01825	9.4
187.03900	10.7
189.01836	11.2
190.01314	6.5
190.99760	22.5
191.01924	8.0
191.03525	6.5
192.00620	29.5
192.02910	11.9
193.01346	61.5
194.99242	25.8
197.00848	7.2
199.03836	7.1
201.01920	6.1
202.01384	38.3
202.99709	9.8
203.03479	12.8
204.02832	6.5
205.01363	16.8
205.98782	4.2
206.00874	12.4
206.99245	12.8
207.02986	10.0
208.00171	11.1
208.02443	7.7
209.00946	10.8
212.03304	5.7
213.01871	8.2
214.02646	6.7
215.03394	6.1
217.01379	10.3
217.04938	5.1
218.00737	7.9
219.02934	15.7
220.02457	18.2
221.00810	12.2
223.02409	6.9
223.99574	9.5
227.03386	12.4
229.01329	7.3
230.00793	27.1
231.02867	17.0
233.00862	7.3
234.01660	7.7
235.02487	31.6
242.04385	5.6
243.02977	15.6
245.01022	7.6
246.00226	34.9
246.03999	5.0
247.02551	8.5
255.02841	12.4
258.01694	7.4
259.02469	24.1
261.00339	7.6
262.03610	19.7
271.02377	17.2
273.03644	4.8
275.01968	8.1
282.03964	10.1
283.02231	5.5
286.00882	7.0
287.01859	44.0
288.02289	5.6
299.02023	8.2
301.03488	15.0
303.01492	25.0
304.01837	9.7
305.03018	10.5
308.02048	7.8
310.03616	31.7
315.01511	15.3
316.02225	17.5
317.02939	13.6
326.03030	10.6
327.01285	15.8
328.04565	14.3
331.00903	45.6
332.01736	26.4
333.02356	13.7
339.07062	10.8
344.04190	9.0
349.01788	9.2
354.02524	40.9
355.02597	7.2
355.06561	24.2
357.08224	9.3
363.03326	6.7
366.08475	6.7
368.09976	7.3
371.02301	8.5
371.06503	21.6
372.03464	50.0
373.03836	6.8
381.08188	9.4
383.06088	22.9
384.09442	22.2
389.03497	13.1
390.04468	15.7
394.07828	37.3
408.09323	19.8
410.07184	31.9
410.64447	5.4
411.06982	6.8
477.06543	7.4
492.11261	6.4
509.09485	21.1
518.09515	35.6
536.10364	100.0
537.10425	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21638	1.4
59.01253	9.6
64.54034	1.4
65.00189	3.0
65.11488	1.4
65.99716	3.3
69.74638	8.6
71.01241	4.9
85.02847	1.8
89.02327	4.0
93.03323	2.8
95.01254	2.8
101.02290	2.6
107.01285	5.6
109.02827	6.0
111.00763	3.5
112.14619	1.3
115.23380	1.5
119.01292	2.2
121.02846	3.1
123.00758	6.0
124.01537	4.3
125.02319	20.0
126.02662	1.5
130.02831	2.1
133.02823	1.9
134.02383	6.9
135.00737	3.5
137.02328	12.6
137.99524	1.5
139.00278	5.6
139.03870	1.7
140.01068	1.5
141.01767	1.8
145.02832	1.5
147.00739	3.2
148.01697	2.1
149.02315	6.8
150.01874	2.0
151.00279	13.9
152.01068	9.8
153.01836	2.1
158.02351	4.0
161.02290	3.8
162.01888	12.8
163.00258	14.0
163.02606	3.3
163.99699	2.2
164.01064	29.0
164.03336	10.9
165.01921	8.8
166.99789	4.3
169.01387	3.0
174.01875	2.6
174.30203	1.6
175.00285	5.2
176.01062	3.4
176.03358	2.3
177.01836	45.7
177.05412	1.5
178.99762	10.5
179.02087	1.9
179.03456	1.7
181.01346	5.5
186.01878	10.6
187.03883	3.6
189.01906	3.6
190.01265	7.2
190.99767	4.6
191.02072	15.5
192.00510	2.3
192.02943	4.4
193.01305	6.4
195.02946	1.4
201.01971	2.0
202.01366	5.8
202.99782	14.7
203.02049	5.1
203.03667	3.1
204.02945	34.7
205.01378	5.8
205.03246	2.7
207.02951	3.6
208.00073	2.3
215.03613	2.1
218.02219	1.5
219.02927	4.0
221.00879	2.4
221.02859	2.4
227.03424	3.3
230.00847	35.3
231.01558	5.1
241.01418	2.3
242.02209	2.2
243.02910	5.3
247.00868	7.1
254.04645	2.3
255.02992	1.8
257.04514	1.6
258.01611	3.2
259.02325	6.4
261.03973	2.5
267.02939	2.0
271.02399	6.8
272.03046	2.7
282.04031	1.7
283.02460	2.6
285.03973	2.2
286.01184	3.2
287.01935	16.6
288.02533	4.0
289.03537	2.2
294.04080	2.8
298.03674	2.9
300.02448	2.1
301.03522	4.9
304.01880	2.6
310.03586	4.1
311.04553	1.7
312.05099	4.4
315.01434	21.6
316.02191	6.6
317.02823	1.9
328.04706	2.0
329.03067	6.5
332.01596	15.4
333.02454	18.7
334.02756	1.7
338.03104	22.7
339.03494	3.2
343.06708	6.6
345.07996	2.1
354.02396	1.5
355.03278	18.2
355.99847	2.4
356.04077	33.1
357.04407	2.9
371.06104	25.5
372.06497	2.4
373.04361	19.4
374.05170	11.0
383.05936	1.8
384.09390	27.9
408.09137	2.7
410.07263	79.4
411.07501	6.8
427.09204	1.7
437.07269	1.5
478.07263	2.4
495.07443	9.4
496.08145	4.0
518.09442	26.3
519.09906	5.0
536.10437	100.0
537.10840	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	535.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36281	0.4
51.14725	0.5
51.99670	0.4
55.01753	0.7
57.03325	3.4
59.01248	0.9
61.22253	0.4
67.82558	0.4
68.46745	0.4
71.20411	0.9
76.09254	0.4
79.01757	2.4
80.96394	0.9
81.03335	0.6
94.93404	0.4
95.04899	0.9
97.02855	0.9
99.08031	15.6
105.06950	0.5
107.04893	1.0
109.02858	0.5
111.04424	0.5
121.06470	1.4
123.08046	18.0
123.08938	0.9
137.02373	0.6
139.03908	0.4
149.05992	3.7
150.06763	1.4
151.03836	0.4
152.04665	2.5
163.07613	0.6
167.07051	93.7
168.07373	4.4
179.03400	0.7
184.05351	0.4
193.04976	3.3
194.05617	0.9
194.86234	0.4
201.57246	0.4
227.14294	0.4
243.17459	0.6
245.15503	0.8
261.18686	0.9
297.11334	0.6
303.19791	0.4
315.23193	0.7
327.23233	1.0
345.73071	0.4
369.24359	0.7
385.27472	21.6
386.27701	4.2
411.25290	1.5
412.25458	0.5
429.26425	100.0
430.26779	15.9
517.29291	1.4
535.30621	60.3
536.23047	0.5
536.30951	13.1
560.17651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03318	2.4
59.01251	0.8
68.21827	0.3
70.97331	0.7
79.01765	1.8
81.03342	0.8
87.04391	0.7
89.01810	0.3
94.70157	0.3
95.04903	0.5
97.02817	0.8
99.08029	15.2
107.04914	0.6
108.02884	0.3
111.04436	0.3
121.06485	1.1
123.08043	15.1
124.08370	0.5
125.05986	0.4
130.63136	0.3
145.02859	0.3
149.05968	3.1
150.06737	1.1
152.04675	2.1
153.15784	0.4
163.07538	0.9
167.07047	89.6
168.07396	4.0
179.03447	0.4
180.04184	0.7
193.04933	2.9
194.05533	0.3
201.02690	0.3
202.06390	0.4
255.10094	0.5
261.18588	0.9
303.19772	1.7
315.23187	1.1
341.25098	0.4
367.26425	0.7
369.24417	1.0
370.24936	0.5
385.27463	23.7
386.27719	3.7
409.23270	0.4
411.25339	2.1
429.26413	100.0
430.26770	14.3
489.00577	0.3
517.29230	1.0
535.30621	61.6
536.30975	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	535.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03468	0.6
52.82570	0.6
57.03299	1.0
59.01242	2.5
60.30803	0.6
68.78489	0.6
71.49168	1.2
71.55842	0.7
75.15733	0.6
77.03848	0.9
89.02349	1.0
91.03864	1.4
95.04898	1.5
105.03356	6.1
117.03323	1.3
119.04897	2.2
121.02856	2.0
132.02051	4.2
133.02852	37.5
134.03639	23.4
135.04439	6.9
136.01620	0.9
137.02364	7.6
137.06000	1.2
138.14772	0.7
139.03891	2.4
145.02878	3.1
147.04408	2.9
149.05972	5.0
150.03119	0.9
160.01566	22.0
161.02350	15.3
161.05954	1.9
167.07027	4.9
168.15074	0.6
171.08136	0.8
175.03923	44.8
176.04219	2.4
177.01831	3.6
178.02675	5.6
179.03412	5.7
179.07005	1.6
193.05016	13.1
194.02147	1.4
194.05333	1.1
202.58000	0.7
267.10233	1.6
267.19507	1.8
281.08157	1.4
285.20703	7.1
295.09665	0.8
326.87524	0.8
359.18652	1.3
372.22861	0.8
410.20718	0.7
429.22189	3.7
430.22937	1.1
443.24197	7.0
447.23999	2.3
461.25421	30.8
462.25787	5.0
517.29303	6.7
518.29352	1.1
520.26770	1.5
535.29150	100.0
536.21545	1.3
536.29498	17.1
556.29602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.8
57.03322	1.7
59.01252	1.0
71.48862	0.4
71.49261	0.5
79.01774	1.6
81.03338	0.8
87.04389	0.9
95.04908	0.7
97.02817	0.8
99.08037	10.0
107.04919	0.6
109.02824	0.5
109.21512	0.4
111.04443	0.7
113.05939	0.5
119.04940	0.6
121.06468	1.4
123.08051	14.2
124.08376	0.7
125.06042	0.5
137.02367	1.8
137.05959	2.0
139.03944	0.5
141.05475	1.4
145.02811	1.2
149.05980	3.1
150.06793	1.3
151.03873	1.2
152.04671	2.0
163.07559	0.6
165.05486	2.3
167.07053	48.7
168.07387	2.2
179.03445	0.9
180.04181	0.6
191.06927	0.4
193.04994	3.2
194.05637	0.4
203.07112	0.5
205.08670	1.6
261.18546	1.1
265.08664	1.2
267.10330	0.5
279.10291	0.5
281.08261	0.6
303.19745	1.6
307.13562	0.4
315.23282	0.9
319.19128	11.2
320.19489	1.6
327.23364	0.9
337.91180	0.5
343.26312	0.7
361.20224	3.9
367.26517	1.0
369.24124	1.3
372.23080	2.3
385.27472	26.2
386.27921	3.5
403.26498	0.9
411.25485	1.7
419.25854	0.5
429.26443	100.0
430.26801	15.3
432.24008	0.5
447.25537	2.2
453.22604	0.7
517.29578	16.8
518.29858	3.0
535.30640	62.4
536.30963	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	535.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
55.25969	0.3
56.66759	0.4
57.03332	2.7
59.01240	0.8
71.48592	0.5
71.48937	0.7
76.92793	0.4
79.01765	2.0
80.92924	0.3
80.96386	0.7
81.03336	1.0
87.04398	0.8
95.04912	0.8
97.02816	0.8
99.08037	8.9
105.06973	0.5
107.04905	0.8
108.77462	0.4
109.02821	0.5
111.04427	0.5
121.06458	1.3
123.08044	17.8
124.08395	0.7
125.05966	0.6
149.05991	2.6
150.06750	1.3
151.03961	0.5
152.04669	2.4
163.07549	0.9
167.07053	47.6
168.07385	2.5
179.03435	0.9
180.04184	0.5
193.04996	3.2
194.05583	0.7
223.80499	0.4
227.14307	0.6
235.09966	0.5
245.15514	0.8
261.18558	0.4
297.11310	1.0
327.23215	0.6
343.25821	0.4
367.26437	1.2
385.27490	19.3
386.27869	2.6
411.25497	1.5
429.26434	100.0
430.26797	15.3
517.29504	0.8
535.30634	48.5
536.31000	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50004	0.5
59.01246	1.6
70.50475	1.1
70.50851	1.1
77.03860	0.5
85.02815	0.6
89.02352	0.7
89.03835	0.8
91.03900	1.2
93.03326	0.6
93.44044	0.5
95.04908	1.9
101.28310	0.5
105.03350	7.3
117.03336	0.9
119.04906	1.1
121.02825	1.3
123.04399	1.0
132.02060	4.9
133.02849	40.4
134.03645	26.5
135.04463	7.2
136.20682	0.4
137.02345	7.2
139.03897	2.0
139.63155	0.5
145.02785	0.7
147.04379	3.1
148.05144	0.6
149.02359	0.8
149.06001	4.2
150.03105	1.5
153.05412	0.7
160.01575	24.7
160.05174	0.8
161.02362	16.2
161.05965	1.8
162.02698	0.7
175.03926	48.1
176.04297	3.1
177.01849	4.1
178.02657	5.9
179.03386	5.0
193.04991	14.9
194.02121	1.2
194.05299	1.0
267.19659	1.7
285.20706	7.2
359.18619	1.7
385.24319	0.5
429.22842	4.0
443.24387	8.3
444.24823	1.5
447.23926	1.8
461.25461	29.8
462.25757	5.5
517.28790	3.5
518.28595	0.6
520.26801	1.9
535.29126	100.0
536.29456	20.1
541.66943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18900	1.1
59.01246	4.6
61.98687	4.4
71.01224	2.5
85.02832	1.1
93.03359	1.1
99.00763	1.4
101.02290	1.9
108.02048	8.4
109.02820	4.3
113.02261	1.1
116.92702	1.3
121.02828	3.8
123.00742	1.5
123.04415	8.3
125.02341	9.1
129.06993	1.1
135.02068	1.1
135.04451	5.8
136.01553	58.4
137.02386	7.6
138.03065	1.7
145.02855	2.5
146.01918	1.2
146.50616	1.1
147.04366	1.9
149.02353	3.3
150.03128	7.4
151.03912	52.2
152.04243	2.9
159.04378	3.2
160.05234	1.8
161.02327	2.9
161.05939	4.5
162.03093	3.3
163.03906	2.6
165.05495	2.7
167.03474	1.2
172.05151	2.4
173.05954	3.7
174.03130	1.7
175.03882	3.9
176.04692	2.6
177.05466	4.7
178.02684	2.2
186.03143	1.3
186.80208	0.9
187.03857	1.9
187.07507	1.7
189.05487	7.1
190.06308	5.3
191.06923	3.2
193.04974	5.2
203.07117	2.1
205.04979	1.5
205.08636	2.5
238.06197	1.1
240.04362	1.1
241.04926	1.6
251.07091	1.2
253.05037	5.2
255.06628	1.9
265.05099	2.2
266.05801	2.9
267.06534	1.4
268.07169	1.4
269.04565	6.5
279.06693	2.7
280.07309	4.5
281.04520	13.2
281.08102	5.2
282.05176	2.1
284.06860	6.6
292.07443	1.8
293.08023	2.4
295.06174	1.6
295.09760	3.0
296.06830	13.8
296.09988	2.0
297.07141	2.3
298.08673	1.1
299.09262	7.4
305.07806	1.3
307.06262	1.7
307.09479	1.8
309.07712	1.9
310.11929	1.9
311.09210	16.1
312.09750	1.9
321.07498	3.2
321.11447	1.4
323.09134	3.8
324.09857	4.2
335.09137	2.6
336.09952	1.7
338.11597	2.0
339.12332	5.9
351.12408	3.0
355.11899	3.2
356.12463	4.8
384.12079	1.8
399.14490	16.1
400.14841	1.9
411.14362	1.8
427.11826	3.2
430.13940	1.6
441.13586	1.7
442.14072	2.8
443.54874	1.1
455.15540	1.2
457.12256	2.9
457.17697	1.4
459.14218	2.0
469.16379	2.6
472.14856	3.3
475.18011	21.8
476.18069	2.7
487.17355	19.4
488.18106	3.7
490.16748	1.6
499.17496	2.1
502.16357	14.2
505.18689	54.0
505.26193	2.6
506.18851	8.7
517.18622	100.0
518.18915	15.6
535.26581	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	533.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	5.0
57.03307	3.6
59.00964	2.1
59.01247	39.5
59.89594	1.1
61.98707	5.2
67.39226	1.1
69.03316	1.8
69.36863	1.0
70.06003	2.0
70.06423	3.5
71.01250	59.6
72.98794	1.2
72.99183	3.6
73.02813	24.3
83.01253	12.3
85.02819	25.2
85.99992	1.3
86.03149	1.0
87.00726	5.2
89.02315	24.7
93.03356	1.5
95.01236	5.0
97.02817	3.5
99.00755	12.0
101.02319	47.9
108.02036	1.3
111.00737	4.0
113.02325	18.7
115.03851	1.7
119.03334	3.6
125.02318	6.7
128.13649	1.0
129.01810	2.1
130.71082	1.0
131.03407	4.1
143.03404	3.8
148.01559	1.3
149.04449	6.0
151.00259	2.7
159.02858	3.2
161.04460	13.8
163.53520	1.2
171.54625	1.3
178.99631	1.2
191.05551	2.5
205.03589	1.4
226.02704	1.1
227.03343	2.2
228.03574	1.2
233.06554	4.0
243.02786	3.6
244.03276	4.5
245.03494	4.0
254.01971	1.1
255.02959	12.3
256.03210	8.3
257.03531	9.1
258.24283	1.3
271.02457	20.4
272.02814	20.5
273.03012	26.6
274.03296	2.2
293.08688	2.6
299.02066	2.6
300.02707	36.7
301.03055	40.9
302.03287	53.0
303.03659	5.5
334.07239	1.2
371.24472	1.5
401.25409	63.8
402.25656	6.3
470.23645	1.3
491.10513	4.1
533.12067	38.0
533.29602	100.0
534.12335	3.1
534.29926	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56039	7.4
55.07674	6.4
55.40062	7.5
63.02281	9.5
65.00203	22.7
65.99718	14.1
71.13042	19.7
83.01254	10.5
95.01291	14.4
99.00753	9.6
103.84496	6.6
107.01265	22.9
111.00774	19.3
118.02905	9.4
123.00785	57.2
123.04443	6.7
125.02310	33.7
134.02441	8.7
135.00729	11.2
137.02336	16.0
139.00285	36.4
141.01805	7.9
149.02370	8.7
151.00269	72.8
152.01082	11.1
153.01813	15.4
154.99802	10.5
161.02325	11.6
162.01857	20.9
163.00291	28.8
163.03815	8.6
163.61276	6.8
164.01059	31.0
164.98158	22.3
165.01830	9.6
165.98950	8.5
166.99791	69.9
168.00116	8.8
169.01299	10.9
171.04420	12.4
174.01952	8.4
175.03972	8.6
176.03287	6.9
177.01883	26.4
178.01353	50.2
178.99783	100.0
180.00426	23.2
181.01266	7.3
182.99283	7.6
187.04099	8.5
189.02045	8.1
190.01357	11.4
190.04929	6.6
190.99789	24.6
191.03409	20.2
192.00554	13.3
193.01367	22.7
194.99281	39.2
197.00732	7.1
199.04117	8.9
201.01907	13.4
202.01370	32.3
203.03429	29.1
204.02904	15.0
205.01370	16.2
206.99226	12.8
208.00053	12.4
209.00836	14.9
213.01848	11.2
213.70389	6.8
215.03458	9.4
218.00784	39.7
219.03107	17.8
220.02466	9.6
221.00690	8.5
222.01645	9.9
223.02451	10.6
227.03456	11.4
229.01309	21.9
231.02908	21.0
233.00891	10.1
241.01402	10.0
243.02892	24.7
244.03027	8.0
245.00836	19.4
247.02460	21.5
257.00812	12.0
258.01605	11.4
259.02594	33.8
261.00424	17.0
271.02469	26.8
273.00464	8.1
274.00839	8.4
275.01993	23.0
282.04047	12.7
287.01968	45.4
288.02573	7.9
298.03662	24.5
299.01883	15.9
300.99799	9.4
303.01492	31.1
315.01535	22.4
316.02036	20.1
317.02753	12.3
326.03189	49.4
330.00134	7.8
331.00821	16.3
332.01797	17.6
333.02530	14.4
342.02435	50.1
343.00656	16.4
344.04230	9.0
347.00446	25.2
348.00967	10.9
352.00793	15.9
355.06674	22.2
370.01947	96.8
370.06055	12.0
371.06317	11.2
382.07526	15.4
387.02051	9.0
388.02621	34.4
395.38400	8.4
408.09610	10.2
409.09921	8.9
463.08572	29.7
463.68066	7.9
479.08444	11.5
494.06949	40.7
506.09677	10.7
507.07852	7.8
516.07928	33.5
534.08185	92.0
535.09387	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	533.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.7
57.03338	0.7
59.01274	0.9
67.24816	0.6
69.39275	0.5
69.39611	4.1
79.01788	0.8
95.04969	0.6
99.08040	1.1
108.02061	1.0
109.02892	1.0
120.05746	0.6
123.04408	2.9
123.08025	0.9
125.06000	0.9
132.22456	0.5
132.64267	0.5
135.04428	0.6
135.08064	5.7
136.05205	0.8
137.02336	1.2
137.06027	1.6
139.07561	0.7
141.05453	2.0
149.05978	8.9
150.06760	2.0
151.00563	0.5
151.07532	2.7
152.07860	0.5
153.05516	1.0
157.06479	0.5
158.02695	0.5
162.06749	0.7
163.07549	0.8
164.08331	4.6
165.05499	4.3
167.03482	0.8
167.07104	3.5
168.04260	0.5
173.06012	0.8
175.07559	15.3
175.09048	0.9
176.07962	0.7
177.09125	1.4
179.03557	0.7
179.07071	9.7
180.07848	6.8
189.09129	2.1
190.09917	22.1
191.03401	7.8
191.10332	1.7
192.04181	3.0
193.04944	1.6
194.05765	0.5
203.10785	1.3
206.05791	10.6
207.06438	3.2
209.04437	1.3
215.07149	0.7
223.06068	3.2
224.06850	0.9
233.08226	0.6
234.09067	0.5
255.13748	0.5
257.15430	4.7
258.16156	0.8
259.17020	2.0
268.11224	0.7
271.09854	0.5
284.10663	0.6
289.42261	0.5
297.11279	4.2
298.11703	0.5
301.14572	0.5
303.16183	0.5
313.21844	2.4
327.23544	0.7
371.22214	1.2
383.25900	22.3
384.26221	3.7
394.21347	1.1
427.24847	100.0
428.25223	15.9
469.47177	0.5
489.30890	0.8
516.28424	0.5
533.29034	36.0
534.29285	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	533.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.7
56.19279	0.5
57.03294	0.9
59.01244	4.1
63.57561	0.5
71.68626	0.6
75.58831	0.7
93.73068	0.7
95.04882	0.7
95.53937	0.7
99.08010	1.3
103.57374	0.6
108.02024	1.3
109.02813	1.1
121.02834	1.0
123.04383	1.5
123.08018	1.0
135.04420	0.8
135.08070	5.2
136.05167	0.6
137.02342	1.4
137.05902	1.3
139.07533	0.7
141.05429	2.9
149.05042	0.6
149.05992	6.3
150.06694	1.8
151.07506	1.8
152.04588	0.7
157.06482	1.5
159.04362	1.2
162.06815	0.6
163.07480	0.9
164.08287	3.9
165.01817	0.9
165.05397	2.6
165.08701	0.6
166.06186	0.8
167.03354	0.9
167.07053	6.1
175.06053	0.9
175.07556	15.9
176.07938	1.1
179.07043	8.6
180.07832	6.7
189.09120	1.5
190.09924	18.1
191.03380	9.1
191.05453	1.9
191.10297	1.2
192.04193	4.3
192.07748	1.5
206.03931	1.2
206.05768	16.9
207.06339	2.7
223.06015	2.8
229.79398	0.8
250.76831	0.6
257.15491	6.3
258.15781	1.1
267.65710	0.7
281.07968	1.0
284.10513	0.9
297.11398	1.4
313.21786	3.9
314.21802	0.8
327.19617	1.1
327.23172	1.6
357.20743	0.7
383.20972	1.3
383.25897	25.3
384.26315	4.8
393.24295	1.4
394.21286	1.1
401.24811	0.9
411.25598	0.9
427.24835	100.0
428.25180	15.2
428.30728	0.4
435.02109	0.8
453.28067	0.9
489.29532	0.9
515.27972	2.0
533.29053	40.7
534.29419	8.9
552.87689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.8
57.03329	1.1
59.01247	0.6
95.04906	1.0
99.08031	0.5
108.02056	1.7
109.02851	0.9
111.04457	0.5
117.06969	0.4
121.02857	0.5
121.06476	1.1
123.04413	1.7
123.08072	0.5
125.02383	0.4
135.08060	6.0
136.05251	0.8
137.02348	1.5
137.05952	1.3
137.68401	0.4
139.04015	0.5
139.07553	0.6
141.05469	1.7
149.05975	8.2
150.06784	2.2
151.07547	3.0
153.05495	1.2
157.06567	0.7
159.04446	1.1
161.06035	0.7
162.06723	0.7
163.07581	0.7
164.08304	4.9
165.05449	3.5
166.32745	0.4
167.03377	1.1
167.07103	2.8
173.05975	0.9
175.07555	13.7
176.08008	0.9
177.01917	1.1
177.09145	0.7
179.03470	0.5
179.07051	8.5
180.07849	5.9
189.09103	1.8
190.09920	20.6
191.03413	8.0
191.05234	0.8
191.10323	1.2
192.04213	4.5
193.04935	1.7
194.05545	0.5
203.10686	0.5
206.05779	10.2
207.06537	2.8
209.04492	1.1
223.06041	2.7
224.06729	1.0
255.13779	0.5
257.15405	4.5
259.17050	1.3
268.11148	0.5
297.11353	4.2
298.11526	0.6
313.21689	2.3
327.23251	0.9
343.22995	0.5
363.23294	0.5
371.22318	1.4
383.25894	22.5
384.26254	4.2
394.21356	0.8
427.24854	100.0
428.25211	16.3
428.29611	0.3
433.23318	0.5
489.29849	1.0
515.28381	0.7
533.29059	40.8
534.21906	0.9
534.29431	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.8
67.01714	0.4
69.61960	1.6
71.01239	0.3
81.03296	0.3
85.02821	5.6
87.00732	1.3
93.03331	1.8
109.02793	0.4
111.04406	0.7
114.16992	0.3
120.06178	0.3
127.03905	1.6
128.42857	0.2
131.72812	0.3
173.04457	0.6
181.61494	0.3
191.05533	100.0
192.05869	3.6
246.07626	0.3
312.57562	0.3
318.40536	0.3
337.21799	0.3
358.06870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1663
Annotation	Amurensin
Peak:m/z	Relative Intensity
59.01250	6.4
69.60007	2.2
71.01243	4.3
72.99177	0.5
73.02834	0.4
85.02831	1.1
89.02322	2.0
90.30064	0.3
99.00730	0.3
101.02316	1.6
108.02052	4.6
109.02838	0.7
113.02328	1.9
117.03349	0.5
119.03378	0.5
119.04928	0.4
121.02816	1.5
123.04391	3.4
125.02322	1.1
133.06453	0.7
135.24396	0.3
137.02269	0.5
143.04865	0.4
145.02863	2.6
146.03622	2.2
147.04439	1.7
148.05186	1.3
149.05910	0.4
149.57103	0.3
150.03021	0.4
158.03632	1.5
159.04404	2.1
161.02344	0.7
162.03082	0.7
164.04684	0.4
167.03497	0.3
168.02271	0.3
169.01338	0.4
171.04433	0.6
173.02345	7.9
174.03130	20.3
175.03528	1.0
176.04674	0.5
177.01837	0.5
186.03152	1.1
187.03880	1.8
188.04678	4.2
189.05421	1.4
190.06311	0.4
191.03412	1.5
191.07068	2.2
192.04233	0.8
193.06577	0.4
194.05775	0.5
195.04385	0.5
195.08020	0.4
201.01878	1.4
201.05432	0.3
202.02658	6.4
205.04970	0.4
206.02153	4.0
207.08109	0.6
209.06079	0.6
211.07684	0.4
214.02675	3.7
215.03456	7.4
216.04204	2.2
217.04898	1.7
220.03697	3.2
221.04114	0.6
221.06055	1.0
222.06834	0.3
223.07533	1.5
224.04849	0.4
229.05042	6.2
230.05440	0.5
232.05345	0.4
233.06073	1.2
234.06799	0.6
235.03935	0.4
235.07567	1.5
237.05507	1.6
238.04645	0.7
239.07175	1.9
247.03891	0.5
248.04651	0.7
248.08595	0.4
249.05574	3.3
250.06184	1.4
251.07132	6.2
252.07559	0.7
253.05035	0.5
261.05530	2.0
262.06305	1.5
263.07077	3.2
264.07846	2.3
265.05051	1.8
265.08371	0.7
266.05719	1.0
266.08908	0.3
267.06616	7.3
268.07123	1.2
276.04337	0.6
277.04993	4.5
277.08469	0.5
278.05774	1.6
278.09155	0.5
279.06619	10.6
279.09735	0.7
280.07077	1.5
281.08127	0.7
282.08960	4.2
283.09497	0.7
289.05118	2.2
290.05737	0.6
291.06580	0.8
292.07416	1.4
293.04510	2.4
293.08133	1.2
294.05328	3.4
294.09006	4.0
295.06058	3.6
295.09543	0.9
297.07889	0.6
297.11368	1.9
303.06628	0.4
304.07352	2.3
305.04553	6.2
305.07727	0.5
306.05130	1.0
307.06052	2.5
308.06903	4.5
309.07648	5.3
309.11011	0.6
310.08295	2.0
311.05579	0.7
320.06885	3.7
321.07498	1.5
322.08377	4.7
323.05563	9.5
323.09195	3.9
324.05984	1.2
324.09869	1.2
325.10684	0.5
326.07880	3.4
327.08743	0.8
327.12302	1.8
335.09198	2.4
336.09671	0.6
337.07184	1.3
338.07935	12.0
339.08237	1.2
339.12125	0.4
341.10275	22.2
342.10522	2.4
353.10278	100.0
354.10617	12.8
364.09344	0.4
365.06335	0.5
365.10498	0.5
371.11276	13.4
371.14893	0.8
372.03973	0.3
372.11728	1.4
380.09003	0.5
383.11185	1.7
395.11282	7.3
396.11618	1.0
413.12411	1.0
473.14478	0.7
489.17831	0.6
503.15549	0.6
515.15948	0.4
523.76050	0.4
533.16632	11.2
534.17645	1.5
537.70148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1664
Annotation	Amurensin
Peak:m/z	Relative Intensity
52.82566	0.7
53.34689	0.7
56.46664	0.8
59.01256	6.2
71.01256	3.9
71.49766	1.1
83.01280	1.1
85.02819	1.7
89.02316	2.9
96.95884	1.6
100.78653	0.7
101.02327	1.6
101.48425	1.0
101.69799	0.9
107.01254	1.0
108.02065	4.6
109.02813	0.9
113.02325	2.0
121.02850	2.0
123.04408	2.1
125.02346	4.9
137.02357	1.4
145.02846	2.3
146.03613	1.1
146.22314	0.7
147.04375	1.5
148.05284	0.7
151.00291	6.0
157.19852	0.8
158.03662	1.4
159.04378	1.4
161.02357	1.5
163.00327	0.8
167.03387	1.1
169.01382	1.7
173.02370	5.3
173.86224	0.8
174.03120	13.4
175.03670	1.1
175.38168	0.7
178.99767	3.3
186.03152	1.1
187.03918	1.5
187.97925	1.0
188.04692	3.1
191.03429	2.1
191.07106	1.1
193.01361	4.2
193.05005	1.1
201.01965	0.9
202.02710	3.7
206.02165	3.1
207.08121	1.7
211.07607	1.1
214.02646	3.6
215.03398	5.2
216.04198	1.4
220.03694	3.0
221.05965	1.4
223.07648	1.2
224.04829	0.9
227.03357	1.2
229.04999	2.7
233.06091	1.3
235.07777	1.3
235.90146	0.8
237.05438	1.2
239.07193	1.8
240.20152	0.7
243.02975	3.3
248.04688	1.0
249.05455	3.4
250.06314	1.6
250.97908	0.8
251.07118	8.5
252.07448	1.0
255.03029	8.5
256.03287	0.8
261.05597	1.6
262.06335	2.1
263.07135	3.7
264.07892	2.3
265.04984	2.0
267.06598	8.7
268.07147	1.1
271.02457	17.1
272.02856	2.4
277.05005	3.9
278.05655	1.5
279.06564	14.2
280.06863	1.8
281.08102	1.2
282.08820	5.1
289.05048	2.0
291.06595	1.2
292.07452	1.2
293.04663	1.8
293.07993	1.5
294.05316	3.4
294.08987	5.1
295.06058	4.0
297.11493	1.4
300.02737	30.4
301.03458	14.6
302.03867	1.1
304.07425	2.4
305.04535	4.7
305.07645	1.0
307.06152	2.5
308.06879	4.1
309.07660	5.1
309.10794	0.9
310.08316	2.5
311.05728	0.8
316.02277	1.7
319.04724	2.4
320.06894	2.4
321.07587	2.2
322.08395	4.3
323.05643	11.3
323.09137	2.3
324.05908	2.1
326.07840	3.0
327.12402	1.8
335.09186	1.8
337.07098	1.7
338.07941	14.3
339.08432	1.7
341.10245	21.8
342.10553	1.6
353.10300	100.0
354.10611	11.2
365.06519	1.0
371.11356	11.0
372.11771	1.2
383.11423	1.6
387.14435	1.0
395.11292	6.6
396.11523	1.1
463.08838	1.6
489.10422	20.7
489.17627	1.0
490.10880	3.6
533.16650	9.6
534.16559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.275
Annotation	Hanburin
Peak:m/z	Relative Intensity
50.40248	0.7
52.61766	0.6
55.01495	1.8
55.01757	33.8
56.02082	0.9
59.01234	1.5
60.76196	0.7
74.11219	0.6
75.37083	0.7
98.20660	1.4
99.00744	3.2
159.08020	1.0
167.07004	0.7
177.03535	0.7
195.11780	0.9
195.13919	0.9
228.09412	0.8
235.11119	0.8
239.10750	11.2
240.10895	1.4
251.10796	1.0
255.10303	1.0
268.07407	2.4
283.09763	2.1
380.29404	0.8
400.89935	0.8
531.27478	100.0
532.27808	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0935
Annotation	Quercetin 3-(4''-malonylrhamnoside)
Peak:m/z	Relative Intensity
51.59886	1.5
59.01249	5.1
61.04359	1.5
61.98712	3.6
71.01243	1.7
71.49390	3.2
89.02316	2.5
96.95892	3.1
103.17501	1.7
107.01264	4.4
108.02044	3.4
109.02818	3.4
113.02291	2.1
121.02821	2.6
125.02312	9.2
137.02312	2.1
145.02808	1.8
151.00275	15.4
153.01886	2.0
163.00282	3.4
167.03282	1.9
169.01347	3.3
174.03122	5.5
175.00261	2.8
178.99814	10.6
191.03392	2.3
193.01360	18.4
202.02689	2.1
211.07599	1.9
215.03456	6.2
227.03461	3.1
229.04982	4.4
235.07825	2.1
243.02954	9.3
245.04514	2.3
251.06978	1.9
254.02150	2.6
255.02942	25.1
263.06879	2.3
264.66647	1.7
267.06677	3.0
271.02484	55.7
272.02975	4.6
279.06567	5.7
294.08981	2.0
295.06168	1.9
300.02731	100.0
301.03467	48.5
302.03864	4.0
305.04251	1.9
319.04614	9.3
323.05609	5.1
338.07965	6.0
341.10150	8.2
353.05945	2.4
353.10294	40.2
354.10703	4.8
371.11407	3.8
395.11310	2.8
401.12625	1.8
447.08786	3.6
489.10388	85.1
490.10809	11.7
510.83691	1.8
518.74078	1.8
533.09027	2.2
533.17181	5.7
533.29260	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	531.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
61.01513	0.6
61.98694	2.4
69.83540	1.1
69.83952	2.0
71.01254	4.1
72.99181	0.6
73.02810	1.6
77.15427	0.6
83.01226	0.8
85.02825	1.2
89.02305	1.1
95.04861	0.7
96.95891	1.6
97.29774	0.5
98.19918	0.9
101.02312	1.8
105.03333	0.6
109.02835	0.7
113.02326	1.1
121.02809	1.1
125.02332	14.2
135.04401	1.6
137.02377	0.7
139.11192	1.4
147.04416	0.8
149.02383	0.8
149.04305	0.6
159.04356	1.1
161.02307	5.7
173.02304	0.7
174.03151	1.8
175.03935	1.4
177.05463	1.1
181.12358	0.6
183.10147	1.4
187.03931	1.8
189.05505	1.0
197.06068	0.7
199.03992	0.7
200.04735	0.7
201.05513	1.9
211.04185	0.5
211.07307	0.6
212.04547	0.7
213.05493	1.1
217.05054	0.8
225.05589	1.3
225.09157	0.9
225.11209	0.7
226.06244	0.6
226.09860	0.8
231.06465	0.7
237.05493	0.7
237.09059	1.0
238.06200	0.7
239.06956	0.8
240.04160	0.6
241.04790	1.1
243.12360	7.0
253.04898	3.2
253.08627	2.6
254.09453	5.1
255.10239	1.7
256.03781	0.8
263.07010	0.6
264.07919	1.0
265.04968	1.5
265.08649	2.4
266.05896	0.9
266.09305	1.4
267.06488	0.9
267.10220	0.7
269.04599	1.5
277.08334	0.9
278.05835	0.6
281.04651	2.3
281.08170	21.4
282.05728	0.9
282.08823	4.4
283.06537	0.9
283.09775	6.3
284.10266	0.9
287.05621	0.9
293.05206	0.6
293.08151	3.2
294.08762	0.9
295.09790	2.2
297.07657	1.3
297.11102	0.8
298.08176	0.6
305.06735	1.3
307.09726	0.9
309.08005	1.0
310.08533	0.7
311.09232	8.7
312.09848	2.2
313.10684	0.7
321.07553	3.1
322.08368	1.0
323.09305	6.7
324.09775	1.0
325.10669	4.3
326.11551	2.4
335.09409	0.9
337.10760	1.0
338.07965	1.7
339.08716	38.5
339.12039	1.3
340.09082	4.6
352.09491	8.4
353.10291	69.2
354.10907	23.0
355.11655	3.0
367.11523	1.2
368.12628	9.6
369.13394	89.7
370.13788	8.7
399.24286	0.8
421.26743	0.6
531.18713	100.0
532.19073	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	531.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.5
59.01249	1.4
61.18169	0.2
61.49661	0.1
61.98687	1.0
65.00194	0.7
69.48763	0.2
70.02867	0.2
71.01247	1.4
71.04882	0.3
73.02802	0.4
77.65981	0.2
79.48663	0.1
83.01268	0.3
85.02338	0.2
85.02832	0.6
87.05534	0.2
89.02291	1.0
93.03338	0.2
97.90096	0.2
98.19766	0.4
99.00749	0.2
101.02302	1.0
105.03202	0.2
109.02840	0.2
113.02310	0.6
117.03349	0.7
119.03405	0.2
119.04919	0.3
121.02776	0.2
125.02338	3.6
133.02878	0.2
137.02330	0.5
143.04929	3.4
146.08130	1.4
149.02266	0.3
150.93521	0.2
151.00200	0.5
155.04973	0.2
157.06477	0.3
160.01497	0.3
161.02376	1.3
161.04449	0.5
164.03416	0.5
167.04927	9.0
168.05263	0.6
169.06471	2.0
178.99825	0.2
180.05730	4.2
181.06509	4.0
182.06950	0.2
183.04419	3.0
183.08005	0.3
185.05991	1.7
195.04427	0.4
196.05278	0.4
197.05984	3.3
199.03978	0.2
203.03964	0.2
207.04393	0.4
208.03745	0.1
208.05217	5.3
209.06003	16.4
210.03131	0.4
210.06352	1.4
211.03922	2.8
212.04425	0.2
217.11835	0.3
223.04031	0.2
224.04637	1.2
225.05508	8.3
226.05780	0.5
227.03566	0.3
227.07091	5.1
228.07411	0.3
229.60472	0.2
235.03987	0.4
243.02934	0.2
243.12267	0.5
250.30548	0.2
252.04204	1.2
253.05022	100.0
254.05362	8.1
255.02946	0.8
270.07935	0.9
271.02527	1.3
271.06104	6.8
272.03104	0.2
272.06390	0.6
277.12244	1.2
287.05518	0.3
300.02710	2.3
301.03394	1.7
330.08038	0.8
331.08353	0.2
351.08533	0.2
354.07257	0.2
399.23877	0.3
401.11554	0.7
447.09286	2.8
448.09714	0.3
531.17889	1.3
531.28021	2.2
532.17908	0.2
532.28723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	0.7
65.00188	0.5
95.90490	0.3
107.01269	0.5
108.02055	0.9
135.00795	0.7
148.01579	1.0
151.00270	2.7
152.00967	0.3
163.00319	0.8
164.01086	0.4
178.99799	1.8
183.04343	0.4
187.03876	0.4
192.00499	0.4
199.03931	1.7
201.01872	0.7
205.44826	0.3
206.99248	0.4
211.03938	0.6
215.03456	0.9
216.04131	0.4
226.02663	0.8
227.03461	3.0
228.29976	0.4
243.02957	8.7
244.03401	0.8
254.02138	1.7
255.02962	21.9
256.03409	2.2
271.02466	52.0
272.02945	5.1
299.01996	7.1
300.02734	100.0
301.03177	11.2
424.92926	0.5
471.09326	0.9
489.10345	4.2
490.10834	0.5
531.11426	31.2
532.11829	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	531.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33746	0.2
62.38335	0.2
62.87909	0.2
65.00185	0.4
71.01280	0.2
71.07827	0.4
82.91263	0.2
83.01234	0.3
91.01762	0.3
107.01261	1.0
108.02042	1.7
110.82488	0.2
124.01508	0.3
135.00778	0.7
147.00706	0.2
147.79842	0.2
148.01556	1.5
151.00272	1.7
163.00262	0.6
164.01057	0.8
167.44791	0.2
171.04413	0.3
178.99777	0.9
183.04524	0.3
183.77139	0.2
187.03918	0.4
191.94388	0.2
192.00529	0.3
199.03929	1.4
199.44196	0.2
200.04454	0.2
201.01901	0.7
203.03378	0.4
211.03909	0.6
215.03452	0.8
216.04100	0.3
226.02647	1.5
227.03456	2.6
228.03926	0.3
229.01280	0.4
243.02948	11.1
244.03316	1.3
254.02165	2.0
255.02959	27.1
256.03299	2.4
271.02457	57.6
272.02869	6.0
299.01956	4.3
300.02716	100.0
301.03113	9.6
351.38092	0.2
411.06940	0.4
471.09442	0.4
489.10400	0.8
531.11383	27.2
532.11737	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	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47278	0.3
55.01754	0.4
56.89143	0.3
57.03317	0.4
58.00484	0.4
59.01249	8.6
65.65225	0.3
71.01253	6.3
73.02808	1.2
83.01270	0.6
85.02820	1.5
87.00751	1.3
89.02314	5.7
95.01255	0.5
95.04912	0.3
99.00787	0.4
100.62175	0.3
101.02326	5.8
111.08012	0.5
113.02338	3.0
119.03352	1.5
128.03398	0.4
143.03374	0.9
161.04475	3.1
178.37880	0.3
179.05516	1.2
179.14281	0.9
195.13835	8.5
196.14311	1.0
205.12285	0.8
205.16122	0.3
211.13351	0.7
223.13382	6.5
224.13766	0.7
228.13577	0.8
231.21069	0.7
245.11568	0.3
253.09264	28.9
254.09612	1.4
256.13174	1.3
265.21692	0.5
275.20157	5.9
276.20453	0.6
293.21219	100.0
294.21567	11.2
385.01419	0.3
401.07483	0.3
492.22253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.3
57.03285	0.3
59.00959	0.5
59.01246	8.4
69.03326	0.3
71.01248	6.9
71.36175	0.4
71.36525	0.4
72.99181	0.6
73.02807	0.7
83.01258	0.6
85.02813	1.8
87.00746	0.9
89.02309	5.8
92.48814	0.3
95.01228	0.4
99.00742	0.4
101.02315	6.8
111.08020	0.4
113.02321	3.7
113.09653	0.4
119.03347	1.5
125.02317	0.4
143.03447	0.6
161.04442	3.1
167.10640	0.4
177.12801	0.4
179.05598	1.3
179.14307	0.9
181.12186	0.4
183.13773	0.3
195.13832	10.2
196.14270	0.6
205.12256	0.5
205.15839	0.5
211.13322	1.0
223.13332	5.9
224.13832	0.5
228.13698	0.5
253.09253	29.9
254.09573	1.2
256.13214	1.4
265.21786	0.6
275.20139	5.4
276.20486	0.7
293.21207	100.0
294.21533	10.4
446.66443	0.3
492.22266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28953	0.8
51.21019	0.7
57.03316	7.9
59.01245	0.9
61.98703	52.0
65.31209	0.8
71.01273	0.8
71.49448	1.3
75.12510	0.7
81.03318	1.3
83.01253	2.1
96.95894	10.1
105.03339	1.4
107.04971	1.0
109.02828	6.2
123.00778	0.8
124.01549	1.0
125.02337	60.3
126.02644	2.8
133.02884	5.3
133.07935	0.7
134.03595	1.3
135.04416	52.3
136.04750	1.9
137.02347	24.8
138.02681	0.8
139.03883	2.6
147.04448	0.8
149.06049	0.7
151.03925	2.3
159.04396	0.9
161.02354	33.1
161.51978	0.7
162.02715	1.2
164.01027	1.1
165.01848	3.9
167.03403	2.6
168.03764	1.0
169.01482	1.0
175.03925	5.2
177.01935	1.4
177.05515	1.6
179.03419	100.0
180.03706	6.0
191.03479	0.9
201.05464	1.3
203.03415	7.9
204.03830	1.0
219.06628	2.5
221.04503	1.6
242.22276	0.8
261.07968	0.8
269.04584	4.4
270.81094	0.9
285.07623	4.0
287.05566	6.8
301.03464	0.8
305.06659	18.5
306.07126	1.0
313.07220	1.2
329.06604	1.1
341.06635	3.9
342.07391	2.2
357.06137	2.7
467.09814	29.1
468.10358	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	528.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07335	9.7
66.71639	8.7
69.24461	100.0
74.13517	9.8
98.19839	14.7
108.22138	8.8
111.00762	32.0
123.00741	14.5
124.11583	10.7
125.02344	95.3
127.00295	10.9
137.02328	32.1
139.00272	29.0
150.01787	10.3
151.03925	11.0
153.01799	26.0
162.52480	8.7
164.03416	17.5
165.01834	12.9
166.99754	25.5
169.01332	75.7
175.03796	9.4
177.01776	15.1
178.01379	31.2
180.02946	18.1
181.01358	14.4
182.99181	12.1
191.03452	12.0
208.02530	10.5
358.05795	13.4
371.40048	12.1
376.06662	17.4
416.54266	12.0
528.06354	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	529.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72037	0.2
57.03323	13.2
59.01248	7.2
60.67441	0.2
61.98696	0.7
62.98445	0.2
69.03321	0.4
69.23010	2.2
71.01258	1.2
73.02814	0.3
78.95784	0.3
81.03321	1.3
82.40327	0.2
83.01260	3.1
83.31293	0.2
84.66486	0.2
85.02859	0.3
89.02293	1.2
93.03339	0.5
95.01250	0.2
95.04893	1.5
101.02341	0.5
105.03344	5.0
109.02840	1.3
113.02335	0.3
116.44080	0.2
117.06997	0.3
121.02847	0.5
123.00766	0.6
123.04416	0.3
124.01535	0.4
125.02338	100.0
126.02680	2.9
131.03307	0.3
133.02853	0.8
137.02347	8.2
137.09605	0.4
138.02682	0.3
139.03897	1.5
145.02827	0.3
145.06589	0.3
146.40477	0.2
147.04462	0.2
149.02364	2.1
149.04443	0.4
160.01634	0.3
161.02357	42.3
161.09636	0.4
162.02716	1.8
163.07689	0.3
164.01067	0.4
165.01862	1.3
167.03418	3.5
167.50269	0.2
169.01344	0.5
171.04472	0.4
173.06020	0.6
175.03947	0.8
175.07635	0.3
177.01874	0.5
177.05473	3.7
179.03415	0.9
181.08643	0.8
181.72139	0.2
183.04463	0.8
191.07143	0.3
197.05991	0.9
197.11771	8.7
198.12128	0.4
199.03940	0.5
200.04745	0.2
201.01802	0.5
201.05545	1.9
203.03490	0.5
213.05550	0.4
217.05078	0.3
219.06589	1.6
221.04514	0.3
223.04092	0.2
225.05537	1.7
227.03450	1.5
229.01445	1.9
230.89189	0.3
241.05238	0.5
241.10773	12.9
242.11089	0.6
243.06662	1.1
245.04559	0.5
261.07809	0.4
268.81192	0.2
269.04541	13.5
270.04874	1.0
287.05612	13.1
288.05984	0.8
305.06625	6.4
306.07108	0.5
391.13971	4.1
403.14124	0.3
529.17133	5.0
529.26147	0.8
530.16895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01738	0.7
57.03313	2.8
59.00963	0.9
59.01251	14.6
67.01778	0.7
69.03323	0.8
71.01254	22.4
71.74503	0.7
72.99185	6.3
73.02823	1.5
74.22757	0.8
75.00747	20.9
78.95782	1.4
83.01267	1.7
85.02825	27.5
86.03111	0.8
87.00755	9.2
89.02329	6.7
95.01272	6.9
99.00176	1.1
99.00760	12.5
101.02337	1.0
101.12199	0.7
103.00285	3.7
111.00716	1.2
113.02337	34.6
115.00242	1.9
117.01815	2.3
129.01813	2.6
131.03394	1.3
138.27393	0.8
157.01360	1.2
175.02402	5.4
205.07109	2.9
223.08130	1.5
224.06856	1.0
231.05016	1.5
249.06125	9.9
255.23306	9.5
267.07239	9.4
279.23291	82.4
280.23685	7.6
425.68185	0.8
469.28650	0.8
480.31003	6.1
511.28925	2.7
529.30200	100.0
530.30646	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.6
56.90449	0.5
57.03328	2.9
58.00452	0.5
59.00960	1.0
59.01248	18.8
61.98677	0.5
67.01752	1.1
68.99681	1.1
69.03300	1.3
71.01250	24.3
71.50366	0.7
72.99171	7.3
73.02805	1.6
75.00743	21.7
76.01113	0.6
83.01261	1.5
83.04910	0.6
84.02021	1.0
85.02818	30.1
87.00751	9.7
89.02305	5.9
95.01255	7.0
99.00745	13.0
101.02316	0.9
103.00243	3.6
109.02762	0.5
111.00753	1.3
112.01575	0.8
112.35490	0.4
113.02326	42.3
114.02648	0.8
115.00249	1.9
117.01830	3.8
129.01802	2.4
131.03377	0.7
139.00183	0.6
149.04279	0.6
157.01311	1.2
175.02382	6.2
183.13972	0.6
193.03445	1.0
205.07028	3.4
205.19188	0.5
223.08102	1.3
231.05090	1.2
249.06100	8.8
255.06583	1.6
267.07187	10.3
277.21707	68.6
278.22028	6.4
285.71994	0.7
424.17221	0.6
467.26334	0.8
509.27560	3.0
527.28589	100.0
528.28912	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1559
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
57.03333	0.3
59.01242	1.1
60.08318	0.3
61.98706	1.6
66.22971	0.3
67.01758	1.0
68.99713	0.5
69.03323	0.9
69.38379	0.3
70.25455	0.5
70.25848	0.8
71.01257	2.6
72.99178	0.5
73.02838	0.4
79.01776	0.8
81.03339	0.8
83.01241	0.7
85.02831	1.1
87.00742	0.5
95.01259	1.7
97.02821	1.0
98.20551	0.3
99.00732	0.4
101.02322	1.3
107.00547	0.4
107.01269	7.9
111.00777	2.0
113.02348	1.5
122.03618	3.9
123.00771	11.8
124.01596	0.9
125.02335	41.8
126.02668	1.6
127.00229	0.8
130.22029	0.3
135.04361	0.4
136.98715	0.9
137.02330	1.2
139.00270	3.7
140.01085	2.3
141.01855	1.9
149.02347	0.4
151.00272	8.4
151.03902	0.4
152.00648	0.4
153.01840	0.9
168.00542	2.9
169.01337	55.2
169.10127	0.5
170.01686	2.1
171.08012	2.3
179.03366	0.5
190.15196	0.3
193.01428	0.4
211.02402	0.7
213.09146	21.2
214.09538	1.6
223.02428	0.7
224.90254	0.4
241.03577	0.5
253.03458	0.8
283.31989	0.3
300.98178	0.3
313.05649	14.0
314.05930	1.0
328.97580	1.4
356.35614	0.3
371.24567	0.4
407.91498	0.4
464.09244	0.6
516.27545	0.3
527.15552	100.0
528.15887	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	527.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04253	0.4
57.03321	15.0
59.01247	7.7
61.98697	2.3
81.03324	1.5
83.01255	5.5
93.03339	1.1
95.04894	2.2
98.19814	1.4
105.03326	4.8
109.02838	2.5
119.04897	0.6
120.99554	0.7
121.02837	1.8
123.00770	1.0
124.01537	0.9
125.02333	100.0
126.02679	3.5
132.02011	0.9
133.02887	1.0
135.04436	0.5
137.02335	13.5
137.05981	0.6
138.03156	0.7
139.03914	2.2
145.02831	0.8
145.06526	0.8
147.04434	0.8
149.02345	1.6
149.05968	0.8
151.03917	0.8
159.04356	0.5
160.01596	1.0
161.02350	40.0
162.02655	2.9
162.06789	0.8
163.03841	0.6
164.01097	0.9
164.04678	0.6
165.01862	3.6
166.02684	1.0
166.73837	0.4
167.03397	3.6
169.01334	0.9
172.05266	0.4
173.06000	0.9
175.03899	1.8
176.04457	0.5
177.01816	0.5
177.05482	4.3
177.09088	0.5
178.02457	0.4
178.05843	0.5
179.03458	2.4
179.07059	10.1
180.07387	0.6
181.04968	1.3
183.04410	1.0
185.02322	0.4
190.02687	0.5
191.03415	1.6
196.05223	0.5
197.05931	1.0
199.03935	1.0
201.01909	1.1
201.05467	2.7
202.05872	0.5
203.03566	2.0
204.04158	0.8
207.02946	0.4
209.04564	0.6
217.04948	0.5
219.06544	3.9
221.04518	1.1
225.05431	2.3
227.03481	1.8
229.01407	1.7
229.39592	0.5
229.41623	0.4
239.09204	22.1
240.09583	1.8
241.05119	0.8
243.06671	1.2
245.04691	0.7
246.05095	0.5
261.07666	2.4
269.04532	9.6
270.04825	1.1
272.03137	0.5
285.04358	0.9
285.07730	2.5
286.04648	1.4
287.05597	13.8
288.05972	1.2
303.08691	1.3
305.06659	17.3
306.07007	1.2
311.10745	0.5
316.02185	1.1
317.02643	0.8
329.06741	1.5
347.07623	0.5
387.11896	0.6
389.12460	0.6
464.09183	1.9
465.15479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26420	3.1
55.65770	3.1
57.13800	2.8
59.01241	6.9
65.00191	9.3
67.01760	5.2
68.99686	4.6
69.65982	6.6
69.66393	13.6
71.01265	8.1
71.05202	3.5
73.96244	2.8
83.01261	6.3
87.00769	4.1
95.01265	13.8
96.59359	3.0
96.87616	3.4
96.99161	3.2
98.20579	3.2
99.00753	13.1
107.01246	7.9
109.02823	14.0
111.00748	19.1
113.02310	2.9
117.03304	4.8
119.04908	5.1
121.02878	4.3
123.00751	25.3
124.98693	6.3
125.02374	22.1
127.00246	7.9
131.04883	6.1
133.02859	5.7
135.00748	12.4
136.98750	6.3
137.02359	20.2
137.99451	3.5
139.00262	36.5
141.01810	7.9
145.02812	7.9
147.04480	6.4
149.02362	12.4
149.99480	4.5
150.60638	3.1
151.00261	23.7
152.01028	4.6
153.01834	10.8
154.99748	19.7
158.54761	3.4
159.04448	9.6
161.02365	11.3
163.00293	16.7
164.01073	7.9
164.98230	5.2
165.01848	12.6
165.99001	9.6
166.99779	27.9
168.00552	6.9
169.01369	4.0
175.03944	13.4
177.01802	15.4
178.99785	41.0
180.00465	9.6
180.97676	4.6
181.01401	17.0
183.99957	6.0
185.02306	4.8
187.03951	9.1
189.01865	11.9
190.02682	4.9
190.99796	14.4
191.03418	7.1
192.00380	5.4
193.01337	16.2
194.99312	25.0
197.00810	3.2
201.01880	14.0
202.99936	3.9
203.03427	13.1
204.97798	5.3
205.01369	15.4
205.94955	3.1
206.99339	17.3
207.02821	5.2
208.00072	4.9
209.00816	10.5
213.01875	6.5
217.01335	14.9
218.02141	4.1
219.02916	14.7
220.03520	3.3
221.00844	9.0
223.99535	3.6
229.01360	18.2
230.99203	3.9
231.02948	23.3
233.00871	7.9
233.04468	3.7
234.01694	4.4
235.02458	6.6
245.00871	12.5
246.01572	7.2
247.02356	19.6
248.03235	4.5
249.04080	5.4
257.00900	16.6
258.01517	5.8
259.02493	23.5
259.99551	6.6
261.00378	9.3
263.01904	4.3
265.03433	3.4
271.02472	4.3
273.00494	7.4
273.03510	2.8
274.01080	9.5
275.01981	33.5
276.02386	5.2
277.00006	11.1
277.03497	10.8
285.00201	9.0
287.01984	7.4
291.01337	7.1
300.99860	11.9
302.00604	5.5
303.01428	100.0
304.02011	7.6
315.01563	4.2
316.02151	12.4
317.02942	7.2
319.00934	6.3
320.01578	9.8
321.02393	12.4
328.99326	33.5
330.00137	5.1
331.00900	8.8
345.08255	5.9
347.00452	48.6
348.01035	10.3
357.08389	5.0
359.06277	5.3
365.05460	4.0
371.06107	28.1
375.05441	20.0
383.06186	4.0
387.05661	6.1
401.07245	4.2
411.09152	7.2
437.07446	4.8
465.06793	5.7
479.08560	9.1
483.07855	12.3
509.05115	25.2
509.97226	3.5
527.06824	28.8
528.07117	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	526.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93030	1.5
61.98691	2.2
64.06967	2.0
71.09325	3.0
86.55403	1.7
115.81778	1.7
116.49544	1.7
119.77314	1.8
151.00247	8.0
178.99750	6.7
214.02657	5.1
214.21956	2.0
242.02118	4.5
243.02780	4.1
248.38756	1.8
258.33551	1.7
259.02414	3.1
270.01672	5.9
271.02441	36.4
272.02731	3.0
275.02115	2.0
287.01938	19.0
316.02206	74.0
317.02866	17.6
320.23471	2.0
371.06253	1.8
463.08780	100.0
464.08954	16.1
530.34973	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	526.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32037	2.1
61.98700	4.8
64.77882	2.2
65.63730	2.3
78.52576	2.1
91.76171	2.2
93.32081	2.4
98.20575	7.1
119.02438	2.4
121.02830	2.1
151.00298	8.7
151.19080	2.4
178.99884	4.2
243.03194	3.7
255.02901	12.7
270.01770	2.8
271.02435	40.2
272.02905	5.0
287.01935	7.4
300.02750	39.2
301.03375	22.6
316.02200	38.6
317.02771	8.0
420.15015	2.6
463.08826	100.0
464.03455	3.3
464.08939	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	524.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.3
61.98702	100.0
62.98405	0.3
69.25797	2.7
71.01276	0.5
77.93584	0.2
89.02326	0.4
98.20595	0.5
101.02346	0.3
125.02340	1.3
158.06773	0.3
161.02493	0.5
166.99649	0.3
169.01387	0.9
170.01640	0.3
176.29240	0.3
325.14517	0.5
326.14990	0.4
343.76465	0.3
424.18811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	14.4
59.01240	1.1
61.98704	3.5
64.83067	0.6
69.03323	1.1
70.60178	1.8
81.03336	2.3
83.01255	6.5
93.03325	2.0
95.01245	1.1
95.04919	1.8
97.02841	0.7
105.03345	3.7
107.01241	0.8
109.02840	5.0
109.06459	0.5
111.00773	0.7
119.04906	1.0
121.02857	2.5
123.00773	1.4
123.04434	1.2
124.01543	2.0
125.02329	100.0
126.02648	4.5
132.02036	0.6
133.02823	1.7
133.06380	0.9
134.03644	0.7
135.04405	4.3
137.02339	44.3
138.02850	1.4
139.03900	3.9
145.02821	0.7
149.02338	2.0
151.00279	3.3
151.03943	1.1
159.04509	1.1
160.01578	0.7
161.02350	33.8
162.02745	2.7
163.03915	1.7
164.01025	0.9
164.04671	1.9
165.01842	5.7
165.05447	1.0
166.02432	1.2
167.03375	3.8
173.05920	0.7
175.03975	1.4
177.05508	8.6
178.06197	1.9
178.99712	2.0
179.03377	3.4
191.03430	0.9
191.07054	0.9
193.08598	3.9
201.01810	0.8
201.05515	1.7
203.03444	0.9
206.05797	1.7
207.06619	1.2
219.06528	4.0
221.04506	1.3
221.08142	0.8
227.03395	0.7
229.01424	0.6
237.07623	3.6
243.06581	1.7
245.04549	0.7
257.04468	1.0
258.04800	0.6
261.07654	8.8
262.08109	0.7
269.04599	2.3
286.04538	1.0
287.05563	5.5
288.05984	0.9
301.03482	6.3
305.06644	20.7
306.06976	1.6
316.02258	1.9
334.08560	0.7
343.11801	8.8
344.12070	0.6
355.11963	1.7
399.10709	1.9
463.08908	6.7
481.15225	1.2
525.14087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71013	0.6
56.80640	0.6
57.03330	0.6
59.01251	2.1
60.58578	0.5
61.98699	100.0
70.04540	2.6
71.01262	1.2
94.81157	0.5
101.02356	1.0
109.02848	0.9
116.56570	0.6
121.02851	1.4
125.02330	7.2
137.02333	2.5
146.46498	0.6
149.02325	1.2
161.02353	1.9
164.04732	2.5
165.01883	2.1
169.01392	1.0
179.07008	0.7
193.01378	1.3
199.03911	0.8
212.55936	0.7
215.03548	0.9
243.03001	4.1
243.62663	0.6
257.04578	1.8
262.95728	0.7
269.04630	1.0
271.02374	4.8
285.03970	4.6
286.04745	1.0
299.02136	2.0
300.02997	1.5
314.04324	14.5
314.75427	0.7
315.05038	9.8
461.10895	23.8
462.11398	3.6
523.34753	0.8
524.20514	1.6
544.14331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31007	1.0
55.01765	1.3
57.03316	1.6
59.01250	10.1
61.98700	12.8
69.03327	3.0
71.01250	19.1
71.50711	2.3
72.99168	2.7
73.02787	2.9
80.96386	2.1
83.01247	2.9
85.02831	5.4
87.00746	3.6
89.02324	5.0
93.03323	2.9
97.02753	1.6
99.00742	1.2
101.02327	7.7
107.04916	1.1
112.01555	1.8
113.02338	3.3
119.04941	2.1
121.02850	1.7
125.02350	7.8
128.03462	1.2
134.03651	1.5
135.04410	3.3
137.02443	1.1
150.03133	3.5
161.02257	1.3
163.03917	3.4
164.04308	1.3
165.05440	2.1
169.01323	2.3
254.12115	1.5
269.21167	3.7
287.22278	32.1
288.22510	3.0
329.23343	1.9
340.47028	1.2
359.70218	1.4
403.14352	1.5
431.26471	100.0
432.26736	13.2
449.27579	40.7
450.27884	5.6
475.17804	3.3
523.19519	1.8
523.34265	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2183
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01249	1.4
62.14143	0.6
70.69540	2.3
71.01237	1.8
73.02784	0.8
85.02798	1.5
88.12270	0.6
89.02328	0.7
93.03326	1.1
101.02310	1.4
109.02822	5.0
113.02325	0.8
121.02842	14.2
122.03635	11.1
123.04420	1.2
124.01560	1.7
124.84116	0.6
125.02341	2.3
129.03395	0.9
134.03616	1.0
135.04401	2.4
137.02356	3.5
137.03253	0.6
144.70981	0.7
146.03679	0.9
147.04411	6.5
148.05180	1.1
149.05994	1.4
150.03047	0.7
154.02625	2.2
161.04646	0.8
161.06024	2.0
163.03888	0.8
164.04620	0.7
165.05478	24.7
166.05786	1.0
167.03311	0.6
169.01277	1.3
177.01845	0.7
179.07068	8.8
201.44475	0.6
209.08223	0.8
223.09775	1.4
285.11459	1.1
301.10501	0.7
305.35187	0.6
313.14325	0.9
315.12366	2.7
344.12869	0.7
346.14175	10.3
347.14301	1.2
359.15195	0.9
360.15411	1.0
361.16541	100.0
362.16867	11.5
434.12613	0.7
523.21021	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	523.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20025	1.3
56.41276	1.4
57.03316	3.2
59.01252	13.4
66.90631	1.3
71.01248	8.0
71.47900	1.5
78.98451	3.3
79.01778	1.3
79.11628	1.3
85.02822	9.5
87.00753	3.5
88.69713	1.2
89.02332	6.2
95.01251	1.4
98.11446	1.3
101.02321	4.7
113.02317	1.8
119.03386	1.5
123.00776	13.0
125.02329	12.6
129.01801	1.9
139.00294	3.4
141.01845	1.9
143.65527	1.2
147.02927	2.0
151.00267	13.1
154.44490	1.2
163.03941	1.7
168.00572	3.1
169.01337	39.2
170.01643	1.4
175.31712	1.2
181.01631	4.2
191.01938	7.1
191.05542	12.0
211.02431	11.1
271.04602	10.2
328.67401	1.4
331.06702	100.0
332.07077	8.5
404.72559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2186
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01756	2.1
57.03325	1.9
58.00468	1.2
59.01250	21.3
61.98704	0.4
69.39131	2.2
69.39536	0.6
71.01252	19.3
72.99195	1.8
73.02816	3.6
75.00736	0.5
83.01257	3.7
85.02826	9.1
85.34416	0.3
85.99948	0.4
86.03152	0.4
87.00759	1.9
89.02320	8.3
92.54208	0.3
93.03339	0.6
95.01263	1.6
96.95924	0.4
97.02844	0.3
99.00768	1.5
101.02321	14.5
108.02039	0.7
109.02833	5.1
111.00794	0.9
113.02337	6.0
116.35005	0.3
119.03400	2.7
119.04934	0.6
120.79369	0.3
121.01978	0.5
121.02841	11.2
122.03636	11.4
123.04464	1.7
124.01538	1.1
125.02389	1.6
129.03336	0.7
134.03648	1.1
135.04420	1.8
136.05208	1.9
137.02367	2.5
138.02943	0.3
143.03389	0.4
146.03601	0.6
147.04410	6.2
148.05075	0.7
149.05992	0.9
150.03104	0.7
151.03893	0.3
154.02606	1.6
159.03041	0.4
159.04352	0.6
160.05165	0.5
161.02432	0.4
161.04669	0.5
161.05995	2.5
162.06731	0.5
163.03946	0.6
164.04692	0.8
165.05482	26.5
166.05826	1.1
168.04129	0.3
173.06012	0.6
173.34612	0.3
174.06842	0.4
175.07518	0.7
177.05489	0.5
178.06158	0.6
179.05499	0.5
179.07056	7.8
180.07443	0.4
190.06239	0.5
191.07066	1.6
193.08620	0.4
209.08121	0.8
223.09746	1.1
225.94296	0.3
283.09641	0.4
298.12128	1.6
298.33807	0.4
299.12744	0.5
301.10352	0.4
306.62741	0.3
313.11273	0.4
313.14514	2.9
314.11227	0.3
315.12448	2.3
316.13055	0.7
328.13095	2.4
329.13754	0.7
331.15417	1.0
343.11505	0.5
343.15421	5.3
344.15814	0.6
346.14218	10.7
347.14798	3.5
353.58167	0.3
361.16541	87.7
361.64026	0.3
362.16879	8.9
508.19595	0.7
523.21814	100.0
524.22180	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	522.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03304	0.3
59.01250	3.5
60.01595	0.3
61.98703	100.0
69.03329	0.4
69.43118	0.7
69.43541	1.1
71.01251	3.9
72.01601	0.5
72.99203	0.2
73.02824	0.4
75.00755	0.6
78.10705	0.2
80.96418	0.3
83.01305	0.3
85.02843	1.0
87.00774	0.3
89.02316	4.2
90.02679	0.3
93.03342	1.1
97.02845	0.5
99.00755	0.6
101.02345	1.1
111.00835	0.2
113.02371	0.7
119.04935	0.8
121.02849	11.7
122.03175	4.4
125.02335	2.9
126.02722	0.7
128.92113	0.2
131.03426	0.5
135.04402	0.3
137.02332	0.3
143.03392	0.3
145.02872	0.3
149.04472	0.7
150.04863	0.3
161.04533	0.4
163.03941	1.6
165.68622	0.3
169.01393	0.3
173.04533	0.5
191.05495	1.2
233.06558	1.2
234.07007	1.0
287.22333	0.6
293.08774	2.0
294.09128	2.1
295.09384	0.3
370.51355	0.2
377.18237	0.6
431.26782	0.9
441.96021	0.3
449.27560	1.3
521.33783	0.4
522.33746	0.6
523.21002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
57.93555	0.6
59.01249	1.2
60.05979	0.6
71.48980	0.6
85.03148	0.6
95.87364	0.6
99.97205	0.6
115.02396	0.6
117.03354	17.2
119.04915	58.2
120.05263	3.2
121.02830	5.1
125.02353	1.3
133.02815	3.2
134.03625	1.4
135.04407	6.9
137.02339	1.1
145.02853	100.0
145.64789	0.6
146.03154	4.6
154.01451	0.6
161.02348	12.7
162.02693	0.7
163.03918	57.6
164.04218	2.3
169.01303	1.1
179.03403	3.2
209.11850	0.8
221.18990	8.3
221.20917	0.6
265.18054	5.1
283.19168	8.2
284.19418	0.8
285.20642	1.2
293.51346	0.7
301.20190	9.2
357.06137	2.3
357.22867	1.9
375.23810	5.1
423.95456	0.7
429.22806	10.9
430.23141	1.4
447.23877	16.3
448.24036	1.9
494.25534	0.8
521.27551	77.2
522.27881	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	521.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67658	0.6
57.03326	0.6
57.14534	0.5
59.01247	1.1
63.70298	0.6
69.42500	0.6
71.49456	1.2
78.31097	0.5
91.00300	0.6
93.03353	0.6
117.03351	18.5
118.03710	1.1
118.30975	0.5
119.04913	59.6
120.05281	2.3
121.02852	4.5
121.06626	0.6
133.02847	4.6
134.03662	1.4
135.04420	6.8
137.02373	1.3
145.02856	100.0
146.03198	4.9
150.57018	0.6
161.02364	16.6
162.02699	0.8
163.03920	53.1
164.04271	2.4
179.03403	3.1
221.19066	8.9
265.17999	4.7
266.18686	0.9
283.19135	8.9
285.20734	1.1
301.20200	8.4
302.20377	0.9
357.06195	1.6
357.22687	1.9
375.23846	4.0
429.22772	11.9
430.23199	1.7
441.88406	0.7
444.83832	0.6
447.23917	13.9
448.24265	2.0
521.27551	86.4
522.27814	13.6
538.07446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71236	1.6
51.91002	1.6
57.03337	2.6
58.00459	4.5
59.01249	100.0
61.98705	1.7
62.39061	1.6
69.15124	8.0
69.15546	12.6
70.22001	1.7
71.01257	65.8
72.01582	1.9
72.13367	1.6
72.99173	8.1
73.02802	4.3
83.01244	3.7
85.02828	10.7
87.00758	5.5
89.02319	87.2
90.47974	2.1
95.01263	4.8
98.20599	3.7
99.00761	3.3
101.02322	46.5
109.02827	3.2
113.02344	27.3
119.02599	3.1
119.03394	43.1
121.02812	4.6
122.03683	1.9
123.04383	2.6
125.02361	10.2
131.03389	5.7
137.02409	1.9
141.64044	1.6
143.03381	9.4
149.04457	6.9
159.04379	3.3
160.05199	7.1
161.04431	8.4
161.05876	3.1
166.04887	1.9
167.03352	2.0
169.01344	5.3
172.05217	3.0
173.05933	2.1
179.05536	17.2
189.05504	4.9
190.06274	7.5
205.08591	5.9
281.08209	2.3
290.99814	1.7
296.10367	4.4
311.12927	5.5
316.02011	2.1
326.11612	2.7
329.13901	3.5
341.13962	36.2
342.14111	5.6
360.38116	2.1
389.21649	2.0
487.75095	2.2
521.09412	3.4
521.19928	12.4
521.26227	7.8
522.20258	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	521.2601
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
51.14289	0.3
55.01760	2.1
57.03325	1.3
58.00455	1.7
59.01249	45.3
60.01589	0.4
61.98698	0.9
63.65817	0.4
69.03319	1.3
70.87899	0.9
71.01253	47.8
71.04895	0.3
72.01579	0.7
72.99171	3.4
73.02820	15.0
74.35311	0.4
75.00748	1.1
81.03352	0.5
83.01264	5.4
83.04894	0.4
85.02822	15.6
85.99993	0.4
86.03175	0.5
87.00752	3.7
89.02316	43.7
90.02628	0.5
95.01256	3.3
97.02824	1.8
99.00768	8.6
99.04430	0.8
101.02323	38.4
102.02669	0.8
107.01292	0.4
111.00755	1.6
113.02326	19.5
115.03898	1.3
119.03391	14.0
125.02338	4.3
127.04020	0.4
128.03290	0.4
129.01839	0.6
131.03389	5.0
135.04372	0.4
136.79918	0.4
143.03429	4.1
143.10660	0.5
149.04453	7.1
151.00279	1.7
152.01024	0.3
159.02928	1.8
161.04469	11.5
163.04007	0.4
165.12825	0.4
169.01422	0.7
178.99791	1.4
179.05533	10.2
183.13817	0.4
189.01799	0.4
190.40784	0.3
191.05492	1.8
203.03421	0.7
227.03532	0.4
231.02940	0.9
232.03563	0.5
233.06630	2.1
243.02834	0.7
259.02463	1.0
260.02859	0.6
271.02554	1.3
275.07687	0.4
280.87488	0.3
287.01923	1.4
287.04999	0.4
288.02509	0.8
293.08746	1.5
297.00650	0.5
315.01489	1.9
316.01611	0.7
332.01407	0.6
359.28043	1.0
369.13370	0.6
389.21796	39.4
390.22073	3.9
433.20773	1.3
434.20255	0.4
503.08377	0.8
521.26019	100.0
522.26349	17.8
522.33276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50070	0.7
57.98534	0.7
59.01253	7.8
64.07360	0.7
67.00351	0.9
71.01255	8.9
71.49178	1.3
73.02805	1.9
74.98969	7.5
77.51128	0.8
77.92154	0.7
80.33442	0.8
83.01292	1.0
85.02839	1.8
87.00740	1.5
89.02309	11.4
95.01219	0.9
99.00746	4.4
101.02322	5.9
113.02317	2.0
116.65781	0.8
118.70457	0.8
121.02837	3.4
123.00769	1.5
125.02330	1.7
131.03383	1.9
136.99043	5.2
137.02350	2.0
147.04422	1.9
149.02354	2.1
149.04449	8.0
150.03136	6.4
151.63728	0.7
153.09143	1.5
158.03624	2.8
159.04416	8.2
160.05202	22.1
161.00087	0.8
161.04535	1.1
161.05959	7.1
163.03880	6.0
164.04707	5.8
165.05399	1.2
169.01398	0.7
173.06009	3.4
175.07562	21.3
176.04684	1.2
177.05469	5.6
178.06236	5.1
191.05531	3.0
193.08676	2.6
213.14209	0.8
227.92166	0.9
314.11499	1.9
329.13925	100.0
330.14252	11.7
359.14813	2.8
521.11230	1.7
521.20331	5.0
521.27295	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	2.3
58.00453	6.4
59.01246	100.0
61.98667	1.8
64.63192	1.7
69.17781	4.6
69.18193	13.5
71.01250	74.4
72.99168	6.3
73.02802	4.7
83.01252	3.5
85.02802	14.7
87.00761	6.5
89.02311	96.0
95.01265	5.4
98.20557	4.3
99.00788	2.4
101.02317	50.5
106.86990	1.7
107.94030	1.7
109.02863	2.3
113.02325	30.9
115.03904	1.6
119.03375	41.5
121.02815	3.7
122.03622	2.4
123.48034	1.7
124.11397	1.6
125.01566	1.6
125.02321	10.4
131.03383	5.1
143.03378	7.3
149.02348	2.1
149.04443	6.2
150.03151	1.7
150.60159	1.7
159.04424	4.5
160.05191	7.3
161.02417	1.9
161.04466	8.4
161.05806	2.7
165.05515	1.8
167.03430	3.8
167.05156	1.8
169.01326	6.1
172.05214	4.0
173.05951	2.2
175.07584	3.0
177.01840	3.7
179.05525	16.8
189.05472	7.1
190.06306	10.1
205.08606	10.4
227.07069	3.1
281.08200	2.8
296.10504	5.1
311.12784	4.9
316.02249	2.7
317.02405	2.0
326.11584	3.1
329.14038	2.9
341.13889	35.5
342.14221	5.3
359.10974	1.8
481.44482	1.8
498.05383	2.1
500.43460	2.0
521.09552	3.0
521.19678	16.8
521.26257	7.8
522.19897	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	521.2026
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.89868	0.8
56.02527	0.7
56.11522	0.8
57.03304	1.0
59.00965	0.9
59.01245	13.2
61.98700	18.0
71.01249	11.4
71.49601	1.2
72.99178	1.1
73.02800	0.9
85.02828	3.7
87.00730	0.9
88.86838	0.8
89.02322	5.2
91.49301	0.7
93.03354	0.8
95.01275	0.8
96.95878	1.2
97.02822	1.3
99.00767	1.0
99.04390	2.6
101.02309	5.6
104.25089	0.8
107.04905	1.5
109.02803	2.4
113.02305	3.4
119.03391	1.4
121.02847	8.4
122.03644	6.2
123.04424	5.1
124.01537	0.9
125.02361	4.4
126.02644	0.8
135.04395	4.8
137.02345	8.5
138.03152	4.7
146.80165	0.8
149.02328	1.5
150.03040	1.0
151.00284	1.1
151.03905	4.5
153.23845	0.8
161.05954	0.9
163.03893	1.1
169.01375	1.8
177.05496	1.5
179.07057	0.7
191.03189	0.8
191.07001	1.0
193.08679	1.6
204.07915	0.9
205.08647	1.0
219.06586	1.7
221.08183	4.7
222.08733	1.0
237.07695	2.6
238.08385	1.3
243.06595	0.9
244.07323	2.1
257.08121	2.4
276.06451	3.9
301.03128	0.8
302.03525	0.9
315.12485	1.0
323.12500	0.9
326.11569	4.6
327.12219	2.3
328.12592	0.9
330.99176	2.2
341.13849	7.5
342.14087	0.9
343.11752	10.0
343.15552	3.4
344.12357	5.7
345.00845	1.0
345.13275	5.8
346.01486	1.1
359.15042	6.4
506.18103	2.9
521.07477	4.3
521.20184	100.0
522.08569	0.9
522.20557	15.3
522.27734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96391	1.2
59.01245	5.2
61.71114	1.3
71.01248	3.3
71.32329	1.2
71.48302	1.2
72.99171	2.8
75.00314	1.8
75.00745	32.1
81.03336	3.1
85.02808	2.1
87.00706	2.8
89.02335	2.4
101.02325	2.6
102.22346	1.2
109.02849	5.5
112.21725	1.2
123.00750	3.1
125.02329	4.5
127.03903	5.2
127.68816	1.3
129.29263	1.4
133.33804	1.7
143.03386	7.3
151.00258	2.7
153.01805	3.2
161.04428	3.1
163.20061	1.2
166.99722	1.7
169.01324	6.9
171.02936	11.0
174.96205	1.3
179.05525	100.0
180.05838	3.5
181.71402	1.5
189.03961	12.9
191.05536	5.3
211.02388	1.3
331.06689	22.4
332.07050	2.4
415.45447	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.5
55.50722	0.9
57.03323	1.6
58.00461	1.6
59.00961	1.7
59.01249	27.6
68.99718	1.1
69.96735	0.9
71.01254	28.1
71.49622	1.0
72.99182	2.5
73.02819	6.5
75.43418	0.9
78.24619	0.9
83.01248	5.3
85.02828	10.7
87.00758	2.2
89.02315	10.9
93.36105	1.0
95.01242	2.9
97.02821	1.2
99.00750	4.5
101.01282	1.1
101.02331	17.0
108.02077	1.3
109.02837	15.5
111.00750	2.3
113.02344	8.1
119.03367	3.2
120.62523	0.9
124.01475	1.2
125.02332	2.9
131.03416	1.0
136.16731	1.0
137.02309	1.2
139.00282	1.0
149.04440	3.1
150.03142	2.0
158.03568	1.0
159.04398	7.1
160.05144	2.9
169.01297	1.6
172.05209	2.6
173.06009	6.5
175.07576	2.8
178.06247	1.2
184.06725	1.0
185.05876	0.9
187.07605	1.3
189.05508	4.7
190.06290	1.8
191.05501	1.1
191.07077	2.0
203.07080	1.8
205.08600	1.6
215.93137	0.9
240.04359	1.3
241.05006	11.3
242.05779	1.2
245.03679	0.9
255.06639	6.3
256.06989	1.0
267.06662	1.4
269.08148	1.5
281.08231	3.1
282.08929	1.3
283.09766	1.0
295.09717	3.6
296.10333	1.5
299.09213	5.3
300.09613	1.5
311.09143	1.7
313.10803	10.7
314.11163	1.3
322.29449	1.0
326.11496	2.0
327.12231	1.1
329.10272	4.2
329.13940	8.2
332.01312	1.6
341.13843	2.5
343.11774	4.1
344.12625	40.6
345.13052	5.1
359.14978	89.1
360.15344	8.0
375.18365	0.8
506.17691	1.2
521.20258	100.0
522.20599	17.5
534.07593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
57.03326	0.4
58.00469	0.8
59.01247	18.5
60.01579	0.2
61.98701	18.5
65.21759	0.2
68.03629	0.2
69.03330	2.2
71.01253	25.2
71.49354	0.2
72.01575	0.4
72.99181	1.3
73.02812	3.3
75.00745	0.6
77.03854	0.3
80.96368	0.3
81.03322	1.1
83.01257	1.6
85.02827	2.7
87.00758	0.9
89.02315	27.8
90.02658	0.5
93.03350	0.5
95.01253	0.6
97.02829	3.4
98.45199	0.2
99.00755	5.4
99.04387	0.7
101.02325	5.8
108.02061	0.2
111.00760	0.6
113.02328	3.3
115.03890	2.1
119.03366	0.8
121.02840	100.0
122.03166	3.5
125.02332	16.6
126.02680	0.7
127.03860	0.4
128.03304	0.2
131.03394	4.9
143.03377	1.2
143.04472	0.4
149.04451	6.2
161.02267	0.2
161.04483	0.9
169.01317	0.6
173.04494	0.3
182.04979	0.2
191.05540	3.7
201.14903	0.2
209.11653	0.2
221.84392	0.2
227.07130	0.7
233.06619	14.9
234.06874	0.5
234.51790	0.2
293.08771	28.6
294.09094	1.7
359.28052	0.7
415.12497	0.3
521.26385	0.3
521.33282	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	521.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.2
57.03336	1.4
58.00457	3.0
59.01250	49.0
61.98714	1.5
65.00208	3.5
71.01251	52.8
71.50523	2.2
72.99172	3.3
73.02821	16.4
75.00716	2.1
78.62627	1.3
82.87551	1.1
83.01268	7.6
85.02827	18.1
87.00748	4.7
89.02318	40.6
95.01262	4.8
97.02821	1.9
99.00755	8.9
101.02316	38.4
107.01266	3.1
109.02826	3.8
111.00761	3.0
113.02328	22.2
119.03379	11.2
123.00763	3.4
124.01574	2.3
125.02344	6.0
128.03407	1.4
131.03400	3.9
139.00284	2.7
143.03368	3.2
143.04939	1.4
145.02890	1.6
149.04424	7.0
151.00269	14.2
152.01028	3.6
154.99634	1.4
159.02888	2.2
159.04373	2.2
160.89099	1.3
161.02364	2.3
161.04472	10.9
169.01357	3.7
174.03171	1.5
175.03955	2.7
175.21613	1.3
178.99789	13.2
179.05550	6.0
183.13872	2.1
187.03868	2.5
189.01846	2.8
191.05566	1.8
194.01952	1.4
194.99449	1.5
197.11777	2.3
199.03954	2.1
201.01752	1.5
203.03441	5.6
215.03473	4.3
219.02982	2.0
231.02982	4.7
232.03706	4.4
233.04509	2.2
233.06543	2.4
243.02979	6.1
245.04579	1.6
253.09303	1.4
257.00861	1.4
258.01730	1.4
259.02411	6.1
260.03098	4.9
269.00989	1.5
271.02402	8.3
287.01923	11.8
288.02655	5.2
289.03320	2.0
293.08667	1.5
299.01978	3.8
306.07715	1.7
314.00705	2.2
315.01422	23.7
316.01813	2.1
332.01688	7.4
333.02490	2.5
359.27863	2.4
369.08209	1.7
373.25974	2.0
381.08264	1.3
386.08673	1.5
389.21762	34.8
390.22406	1.6
449.11035	3.0
503.08371	4.6
504.08395	1.7
520.24072	3.0
521.09656	13.5
521.26025	100.0
521.33362	15.8
522.26385	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	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62115	0.8
59.01248	6.6
60.91050	1.0
60.99176	1.3
65.00201	2.4
68.44487	0.8
69.33305	8.9
71.81051	0.9
72.11004	0.9
84.51788	0.9
88.98679	9.6
95.01279	2.1
107.01270	2.6
109.02852	1.1
109.99971	9.1
111.00779	3.3
123.00783	2.8
124.01550	3.0
125.02335	4.2
126.02657	1.3
135.00731	1.3
136.98756	1.5
137.02365	2.7
137.99500	1.8
139.00276	13.9
140.01012	1.8
143.04895	1.2
145.02916	1.2
149.02336	2.1
151.00262	10.9
152.01050	6.4
159.04434	2.7
161.02359	4.0
163.00323	2.9
164.01086	1.8
165.01834	1.5
165.98973	11.4
166.99756	1.7
169.02884	1.4
171.04474	1.3
173.02240	1.0
175.04018	1.5
176.01096	1.2
177.01852	2.4
178.99818	12.6
180.00432	1.6
185.02364	1.1
187.03908	5.3
189.01921	2.2
190.02548	2.3
190.99799	1.1
191.03491	1.6
192.00574	2.5
194.99274	1.1
199.03845	1.4
201.01784	2.0
202.02646	0.9
203.03464	5.5
204.03935	1.1
205.01318	2.5
206.99240	1.1
213.01950	1.7
214.02675	0.9
215.03438	4.3
217.01328	2.7
217.05206	0.9
219.02951	5.0
220.03543	1.1
221.00774	1.0
225.24828	1.0
227.03345	1.0
229.01372	2.5
230.02115	3.3
231.02905	5.1
232.03563	1.7
233.00858	1.1
241.01341	1.9
241.49571	0.9
242.02121	2.0
243.02907	8.6
246.01590	1.9
247.02452	2.2
257.00974	1.2
258.01761	5.5
259.02386	8.4
260.03027	1.2
269.00943	3.4
271.02414	7.5
275.01892	2.2
286.01215	5.4
287.01974	37.3
288.02524	8.0
289.03015	2.2
297.00381	3.1
303.01431	8.5
304.02127	3.6
315.01456	32.4
316.01871	2.9
317.02966	1.6
322.48453	1.1
331.00983	7.3
332.01718	100.0
333.02179	8.0
345.07416	0.9
409.07547	1.3
413.11984	1.1
461.07309	6.2
503.08359	19.0
504.08917	1.8
521.09375	54.7
522.09833	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	519.3116
Annotation	Ochrocarpinone B
Peak:m/z	Relative Intensity
55.01746	1.6
57.03318	2.9
70.05447	2.9
70.05856	1.5
79.01755	3.4
99.08028	5.0
123.08035	2.8
135.04509	0.8
149.05945	4.3
150.03159	0.9
160.05362	0.7
166.06253	1.0
167.07042	41.9
168.07399	2.0
171.04417	2.0
179.03436	2.2
183.08000	0.8
193.04980	4.5
194.05734	2.5
253.12282	3.2
297.11304	15.1
298.11676	1.7
460.18652	2.3
519.31079	100.0
520.31390	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93096	0.7
57.03310	2.2
58.48633	0.6
61.98694	2.9
69.03331	1.2
70.70314	0.7
70.97491	1.6
82.33746	0.6
86.87095	0.7
95.01275	0.8
97.02840	0.8
109.02790	0.7
123.00823	1.1
125.02332	67.8
126.02686	2.0
127.00181	0.6
137.02309	1.9
139.03891	0.8
161.02368	4.4
165.01828	1.5
167.03412	1.3
169.01332	100.0
170.01727	4.0
179.03369	0.9
180.54054	0.6
193.01364	2.4
223.55217	0.7
262.01666	0.6
269.04688	1.1
287.05582	1.3
305.06677	4.7
328.54321	0.6
331.04590	1.7
426.70096	0.6
457.07785	7.7
458.08115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35865	1.6
59.01236	5.9
65.00207	2.2
65.99695	3.1
70.79292	3.5
70.79653	2.5
73.60590	1.6
83.01248	3.4
91.01762	2.0
93.03366	2.1
95.01247	2.6
102.71119	1.6
107.01261	4.4
108.02029	1.5
109.02818	4.2
118.02840	1.6
119.01284	1.9
121.02820	3.2
123.00746	4.6
124.01508	5.2
125.02338	22.7
134.02432	3.6
135.00769	4.3
136.01540	2.7
137.02336	12.2
139.00298	2.3
140.01047	2.0
146.02333	2.6
147.00772	4.3
148.01477	2.9
148.03925	2.6
149.02353	7.1
150.01843	2.4
151.00275	8.9
152.01010	6.0
153.01784	2.2
158.02431	3.7
161.02359	1.9
162.01886	8.5
163.00230	11.2
163.02522	3.6
164.01077	38.9
164.03378	10.8
165.01779	7.5
165.99028	1.6
166.99745	2.2
174.01778	1.8
175.00249	8.0
175.03918	2.9
176.00952	2.8
177.01836	39.9
178.99786	8.3
179.03510	2.6
181.01303	3.2
186.01862	17.5
187.03923	2.5
190.01294	8.4
190.99722	4.6
191.02127	11.0
192.02870	4.7
193.01311	3.8
193.93845	1.7
199.03954	1.8
202.01312	5.9
202.99803	26.8
203.02011	5.1
204.00128	2.0
204.02931	29.2
205.01340	5.7
206.99219	3.8
207.02925	2.0
215.03357	4.7
217.05028	2.6
219.02892	3.0
221.00885	3.7
222.04024	2.3
227.03386	3.5
230.00876	43.3
231.01451	5.2
242.02180	2.0
243.02974	4.5
244.03860	1.8
246.03955	3.4
247.01085	5.3
248.01726	2.4
249.03917	1.7
255.02823	1.7
257.04535	1.7
259.02454	5.5
261.04071	2.4
271.02499	7.1
272.02850	2.8
276.03156	1.7
285.03867	2.8
287.01981	15.5
288.02481	4.0
289.03357	4.3
294.03979	2.0
305.02704	1.9
310.03555	6.2
311.04401	2.5
312.05051	2.8
315.01456	10.5
316.02118	6.5
327.07193	3.9
329.02814	3.7
332.01437	8.3
333.02481	13.4
338.03003	11.9
341.08414	2.1
350.08682	3.3
355.03049	4.0
355.06717	17.4
356.03958	16.5
357.04282	3.9
367.06619	2.3
368.09915	20.1
373.04251	21.8
374.05020	10.9
384.09164	1.9
394.07733	100.0
395.07968	8.6
415.72208	1.7
453.10138	2.2
462.07874	2.6
479.08286	10.8
502.09744	9.6
520.10901	61.9
521.11285	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	519.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94480	0.4
54.82735	0.4
55.01752	1.1
57.03320	4.2
59.01240	0.5
61.48924	0.3
65.72424	0.4
68.99686	0.4
69.03323	0.8
69.28645	2.9
79.01762	4.7
79.05409	0.6
85.03819	0.4
87.04382	0.8
87.64095	0.5
99.08037	1.6
103.92963	0.4
109.02858	0.6
121.06486	1.2
123.08047	2.8
149.05977	6.2
149.07057	0.6
150.03067	0.5
151.03914	0.7
152.04744	0.4
155.08618	0.4
159.08031	0.7
166.06216	1.6
167.07034	7.6
168.07362	0.7
171.04456	2.5
173.09645	0.9
178.02722	0.5
179.03372	3.0
180.03947	0.4
183.08038	1.9
193.04990	9.9
194.05759	3.3
211.11212	1.1
222.57404	0.4
226.04866	0.7
233.08087	0.5
235.11296	0.6
237.09193	0.4
238.06230	0.4
253.12311	7.8
254.12743	1.0
255.10341	0.5
260.90167	0.5
273.18576	1.7
280.98199	0.4
297.11313	30.7
298.11661	2.9
299.12137	0.5
317.17566	3.9
380.65506	0.4
413.26343	0.5
455.60449	0.4
475.31738	2.0
519.31128	100.0
520.31525	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	519.3115
Annotation	Ochrocarpinone B
Peak:m/z	Relative Intensity
55.01747	0.8
56.02296	0.3
57.03324	3.5
68.36855	0.3
69.03320	0.9
71.04905	0.5
79.01765	3.6
87.04388	0.8
99.08018	1.8
100.75136	0.4
109.02834	0.6
111.04431	0.4
121.06483	0.6
122.64515	0.3
123.08030	5.5
125.05962	0.5
131.04916	0.4
133.06476	0.4
135.08046	0.5
137.02341	0.4
146.47037	0.3
149.05962	5.5
149.09523	0.3
150.03096	0.5
150.06334	0.4
153.05548	0.3
159.08052	0.7
161.05916	0.3
166.06256	0.7
167.03400	0.3
167.07051	7.2
168.07387	0.5
171.04399	1.6
173.09674	0.6
178.02736	0.3
179.03433	2.1
179.07005	0.6
183.08099	0.9
189.09091	0.5
191.10732	0.7
193.04973	7.7
194.05678	2.4
199.67780	0.3
205.12260	2.0
211.11218	1.1
219.06668	0.5
226.04913	0.5
231.10143	0.4
234.08850	0.6
238.09875	0.4
249.11250	3.6
250.11842	0.4
253.12280	5.0
254.12706	0.3
255.10303	0.6
297.11304	22.0
298.11615	2.5
299.11954	0.5
387.21664	3.4
388.22409	0.4
475.32126	2.7
519.31091	100.0
520.31464	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71930	0.3
55.01751	0.7
55.46748	0.3
57.03320	2.3
69.03314	0.6
70.05788	1.7
79.01750	2.8
87.04380	1.1
99.08031	2.2
99.08563	0.4
111.04430	0.4
121.06441	0.7
123.04450	0.4
123.08032	5.0
132.37796	0.3
135.08028	0.9
149.05992	3.8
150.03165	0.6
150.06671	0.4
151.03923	0.7
159.08057	0.6
166.06255	0.9
167.07043	12.5
168.07333	0.5
171.04420	1.1
173.09610	0.6
178.02710	0.4
179.03394	3.6
183.08102	0.9
193.04962	4.1
194.05765	5.1
205.12257	3.9
206.12399	0.4
211.11183	0.7
214.43433	0.3
221.07977	0.3
225.94229	0.4
226.04692	1.6
231.10312	0.4
249.11290	5.5
250.11691	0.7
253.12329	3.9
297.11279	13.3
297.14597	0.8
298.11847	1.7
346.58151	0.4
439.27634	0.4
475.32053	4.8
476.32681	0.9
519.31097	100.0
520.31488	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40459	0.4
55.01759	0.4
57.03329	3.8
69.03320	0.7
69.94075	0.3
71.04885	0.4
77.11671	0.5
79.01751	2.4
79.05390	0.5
84.65097	0.4
87.04397	0.7
99.08027	1.6
109.02811	0.4
121.06445	0.7
123.08055	3.0
134.12502	0.4
149.05963	4.2
151.03917	0.4
151.07486	0.5
167.07040	9.7
171.04439	1.4
173.09750	0.4
175.07550	0.5
178.02576	0.5
179.03444	1.2
183.08044	0.8
189.09030	0.5
191.10649	0.5
193.04979	6.0
194.05678	1.7
200.08292	0.5
211.11162	0.9
229.56512	0.4
234.08595	0.4
253.02734	0.4
253.12282	3.6
255.10278	0.5
297.11307	14.9
298.11697	1.7
325.11490	0.4
343.22867	0.5
387.21674	2.6
405.27740	0.6
475.32016	1.3
476.32477	0.5
519.31110	100.0
520.31482	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	519.2448
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01741	2.1
57.03317	2.0
58.00447	1.2
59.01250	29.1
61.98704	1.1
64.84406	0.8
65.00175	1.3
69.03316	1.8
70.89574	0.7
71.01253	39.5
71.49532	1.0
72.01581	0.9
72.99174	2.4
73.02822	13.2
75.00700	1.2
83.01261	5.6
85.02823	13.7
87.00753	3.5
89.02319	27.2
95.01253	2.4
97.02812	2.6
99.00758	8.8
99.04358	0.9
101.02325	28.9
102.02680	0.7
107.01266	0.9
111.00780	1.5
113.02334	12.7
115.03896	1.9
119.03406	5.8
121.02850	0.9
122.03562	0.7
123.00761	1.8
125.02335	6.9
131.03416	3.5
133.02859	0.7
136.01564	4.4
137.02350	1.1
143.03418	1.4
143.04893	1.0
145.02930	0.9
149.04451	6.1
149.99486	0.7
151.00272	4.8
151.03903	5.3
151.11185	1.0
152.00974	0.7
159.02936	1.3
159.04385	1.2
161.02309	2.0
161.04459	5.2
163.03922	1.3
169.01297	2.3
171.04410	0.9
175.03944	0.8
177.01881	1.1
178.99738	4.2
179.05539	1.7
187.03911	2.0
187.33253	0.8
189.01862	1.4
191.03375	1.1
191.05507	2.3
195.13863	1.2
201.01939	1.7
203.03394	2.4
207.13939	1.5
215.03539	3.9
217.01422	4.9
218.02019	1.3
219.02748	1.0
225.14908	6.5
229.01561	1.1
231.02982	1.9
233.06651	2.2
243.02905	2.4
246.01643	1.9
251.79263	0.7
252.97089	0.7
257.00854	1.1
258.01465	0.8
259.02435	2.1
269.00906	1.4
271.02512	2.7
274.01154	1.1
275.01886	1.0
285.00458	1.2
286.01013	0.8
287.01987	28.7
288.02258	3.2
293.08661	1.8
299.01703	1.0
300.02670	3.8
301.03461	2.7
303.01376	2.1
312.99677	3.3
315.01349	1.0
323.02600	0.7
330.00134	2.6
331.00925	6.7
332.01691	0.8
342.11084	1.1
357.13388	7.4
358.13681	1.6
387.20236	34.8
388.20624	3.2
447.09189	3.4
491.25186	0.8
519.08398	4.4
519.24451	100.0
520.08929	1.0
520.24725	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	517.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.4
71.67069	0.2
72.63607	0.2
85.06467	0.3
86.47603	0.2
87.04436	0.3
90.50739	0.2
99.08061	0.5
101.42085	0.2
108.02010	0.3
109.02835	0.4
111.04410	0.4
121.06502	0.6
123.04412	1.0
125.02267	0.4
125.05977	0.6
129.66991	0.2
135.08046	2.1
137.05972	0.7
137.09608	0.3
138.03136	0.4
141.05476	0.5
149.05971	0.3
150.06749	0.9
151.07539	0.4
152.04750	0.4
153.05475	0.9
162.06851	0.3
163.07532	1.3
165.04128	0.6
165.05475	8.5
166.06133	1.0
167.06998	0.6
177.01711	0.4
179.03456	0.4
179.07050	6.9
180.06332	0.5
180.07835	6.1
191.03461	2.0
191.06978	0.2
192.04230	1.5
193.04895	0.5
206.05789	1.2
207.04703	0.5
207.06546	6.7
208.07333	5.8
235.51938	0.2
238.45375	0.3
247.09781	0.5
249.11299	0.4
257.19122	0.7
285.18628	0.9
297.11322	0.7
297.14917	0.5
311.23941	0.3
312.17148	0.3
313.21738	0.6
324.20789	0.3
327.23386	0.9
329.17581	1.1
330.17566	0.3
341.21231	0.9
342.21738	0.2
354.22031	0.4
355.18958	0.8
355.22748	4.0
356.23019	0.4
367.26437	0.7
411.25366	100.0
412.25717	15.5
499.28745	0.5
517.29553	32.7
518.29950	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	517.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95514	0.6
55.01756	5.3
57.03330	3.6
64.89908	0.5
67.25502	0.5
71.20426	1.3
79.01752	3.5
80.95092	0.6
82.63938	0.5
99.07980	0.8
117.92272	0.5
121.06519	0.8
122.03606	0.8
123.08049	1.8
131.73854	0.6
137.06006	3.0
149.05994	5.2
153.36813	0.6
159.08113	0.7
162.44638	0.5
166.06154	1.2
167.07057	6.1
171.04391	1.2
179.03432	3.4
183.08070	1.5
193.05003	7.9
194.05702	3.3
197.09558	0.7
204.04199	0.6
211.11282	1.4
223.11205	1.0
225.12695	0.6
235.11298	1.2
252.07820	2.2
253.08640	1.1
253.12277	5.0
255.10382	1.0
267.10336	3.7
277.08646	1.1
278.09338	0.8
280.07349	2.4
281.08145	2.0
295.09756	20.2
296.10303	2.8
297.11331	23.2
298.11658	2.4
302.29980	0.6
354.22028	3.4
363.23035	0.7
381.24622	1.1
385.25363	5.1
401.24841	1.8
414.22015	3.4
415.22485	0.8
429.24319	10.8
430.24603	2.2
443.25952	1.8
455.29602	2.0
473.30634	1.1
499.28555	78.1
500.28882	18.1
517.29578	100.0
518.29938	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	519.187
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.93410	0.4
56.66987	0.4
59.01242	0.8
61.98698	0.4
68.82436	0.4
70.08915	1.0
70.09304	1.0
71.01250	2.6
73.02824	0.9
83.01249	0.6
85.02839	1.4
93.03343	1.0
95.01270	0.5
101.02335	1.4
104.18758	0.5
108.02056	1.1
113.02334	1.4
121.02837	5.0
122.03658	2.6
124.01580	0.5
125.02288	0.7
133.02834	1.0
134.03683	1.1
136.01558	71.6
137.02031	2.4
145.06485	0.5
147.99071	0.4
150.03098	0.7
151.03911	99.3
152.04236	5.0
159.04366	0.6
160.01591	1.0
160.05196	1.0
161.02321	1.9
161.04463	1.9
162.03108	1.0
163.03941	1.2
163.21271	0.4
169.01338	1.4
175.03886	0.7
175.07690	0.8
176.04720	0.6
177.01862	0.8
177.05450	1.1
179.03329	0.7
188.04738	0.7
189.05435	0.4
193.04883	0.5
203.07175	0.5
241.05199	0.6
255.03020	0.9
271.02563	1.9
300.02756	3.1
301.03448	2.9
311.12863	0.7
340.08145	0.5
342.11075	4.1
343.04861	0.5
357.13419	100.0
358.13782	11.4
447.09274	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	517.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03326	3.1
70.14268	0.6
70.82641	1.8
76.68349	0.5
79.01756	4.2
87.04400	0.7
99.08023	1.5
121.06432	0.7
123.08049	2.5
135.08063	1.0
140.38893	0.5
149.05971	6.4
150.03111	0.9
150.06796	0.6
151.03906	0.6
163.07643	1.1
165.05495	5.3
166.06200	1.3
167.07034	7.7
171.04355	2.6
173.09619	1.1
178.02519	0.8
179.03406	2.2
179.07001	4.2
180.07730	1.3
183.08102	1.0
188.97348	0.7
191.03410	0.9
192.04149	1.5
193.04958	9.1
194.05740	2.4
197.09477	0.7
207.06525	4.9
208.07256	1.1
211.11194	1.6
229.12283	0.7
249.11264	0.6
253.12323	7.7
255.14072	0.5
281.08035	0.9
297.11301	33.6
298.11621	4.3
299.20068	1.1
355.22797	1.0
411.25388	32.4
412.25714	5.7
413.22974	0.7
455.29446	0.9
473.30930	1.1
499.28046	0.8
517.29553	100.0
518.29901	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	517.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.7
70.06431	1.5
70.06849	0.9
74.95921	0.5
79.57729	0.4
92.83311	0.4
109.41434	0.5
137.05986	2.6
146.37595	0.5
149.06021	0.7
153.05507	0.7
167.07019	2.9
179.08006	0.5
193.04962	0.9
196.25636	0.5
202.38939	0.5
203.06979	0.6
235.11157	0.9
241.08562	0.7
251.07118	1.5
252.07939	0.7
253.08638	2.1
264.07748	0.7
265.08301	0.5
267.10281	1.9
277.08371	0.5
278.09384	1.4
280.07599	0.9
281.08173	7.0
282.08524	0.9
295.09735	8.5
296.10291	1.7
297.11301	3.2
317.19080	0.9
329.19037	0.6
339.19620	0.9
354.21979	11.0
355.22336	1.2
361.17990	0.7
363.23233	1.4
364.23465	0.7
381.24432	1.4
385.25348	6.0
386.25958	0.9
401.24924	2.3
403.26141	0.7
411.25485	0.7
414.22012	5.4
415.22293	1.1
427.30017	0.8
429.24301	14.1
430.24576	2.9
440.26935	1.2
443.25903	2.0
455.29742	3.1
499.28506	100.0
500.28851	24.0
500.36380	0.8
511.08762	0.5
517.29584	11.0
518.29926	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	517.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.1
57.03316	3.1
71.06791	1.9
79.01775	3.4
84.52293	0.7
99.08025	2.2
123.08036	2.1
137.05994	1.4
149.05963	5.9
153.05453	1.1
159.07996	0.9
166.11223	0.7
167.07060	8.4
171.04382	2.1
171.83240	0.8
173.09567	0.8
179.03397	2.3
193.04965	8.0
194.05736	2.7
201.49857	0.7
211.11131	0.9
215.10954	0.8
235.11282	0.9
251.07161	1.3
253.12321	6.4
267.10175	0.8
281.08240	3.7
292.15085	0.9
295.09808	3.9
296.10376	1.3
297.11267	31.2
298.08527	0.8
298.11703	3.3
354.21945	4.1
355.22675	1.5
361.17935	0.8
385.25241	1.1
401.24533	1.2
411.25070	1.7
414.22015	1.8
418.20047	0.8
429.24316	6.2
443.25208	0.9
455.29449	1.6
458.83273	0.8
473.30286	1.8
499.28482	61.0
500.28754	11.1
517.29553	100.0
518.29810	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36222	0.4
57.03310	0.7
59.01243	2.1
62.08089	0.4
67.01782	0.5
70.87919	0.4
76.54980	0.4
79.01777	0.6
79.05406	0.6
85.06453	1.2
94.15350	0.4
97.06470	0.8
99.08031	0.5
109.02861	0.5
111.04402	0.4
113.05984	3.6
123.08047	0.9
135.07945	0.4
137.02335	3.7
138.03123	0.5
139.03923	0.5
141.05473	11.6
142.05780	0.5
149.05988	1.7
150.03162	2.4
151.03905	6.7
152.04709	5.2
153.05484	0.7
155.03395	1.0
159.08072	1.4
163.68282	0.4
164.08334	0.5
165.05487	37.4
166.05911	1.7
167.03416	0.5
167.07047	3.0
176.21930	0.4
177.05640	0.4
177.09161	0.8
179.03415	1.7
179.07059	4.5
180.07625	0.7
180.79311	0.4
181.04990	1.1
184.03702	2.1
191.07047	0.5
193.05032	2.1
194.05780	1.5
195.06493	0.8
205.08626	0.5
207.06541	0.8
208.07216	0.5
215.10844	0.4
216.11499	0.8
217.08698	0.5
219.10173	3.4
233.11783	2.6
234.12483	1.6
243.10179	1.2
244.10855	0.5
253.12312	1.0
257.11713	0.8
258.12589	1.7
259.13382	3.8
260.13504	0.5
261.11212	0.5
275.13046	0.5
276.13800	0.8
297.11411	4.9
298.11880	0.8
299.20163	6.6
300.20468	0.7
353.73651	0.4
369.24252	1.1
411.25430	5.9
412.25616	1.2
413.23358	5.4
414.23761	1.2
431.29755	0.6
473.30801	1.9
475.28513	22.8
476.28976	4.4
499.28708	0.6
517.29572	100.0
518.29901	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	517.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93379	2.0
57.03323	2.2
58.00469	3.2
59.00962	3.2
59.01248	63.8
69.03323	4.1
71.01250	75.5
71.49027	1.9
71.49388	1.8
72.97249	1.8
72.99174	3.5
73.02824	20.5
75.00742	2.6
83.01246	3.6
83.04881	2.2
85.02818	8.7
87.00755	2.7
89.02313	100.0
97.02817	7.1
99.00764	38.9
99.76921	1.7
101.02319	37.4
113.02328	10.3
115.03877	3.5
118.79108	1.6
119.03375	3.1
125.02341	23.9
131.03415	16.3
136.05162	1.8
138.06772	5.6
143.03352	2.6
147.08069	2.0
149.04453	40.6
151.07532	6.3
151.59662	1.8
152.08340	25.0
153.09126	20.9
161.04451	6.9
163.11156	6.1
173.53058	1.8
175.04073	1.9
191.05542	20.3
205.12283	48.5
206.12621	4.8
223.13460	2.9
233.06621	21.5
269.87180	1.9
293.08795	19.6
344.61179	2.0
385.18576	3.5
457.67889	1.8
479.28644	2.2
517.22870	63.9
518.22717	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	517.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86600	0.4
57.03323	10.8
59.01247	0.9
61.98691	0.7
65.95183	0.4
69.03342	0.4
71.01259	0.8
77.03846	0.4
81.03325	1.6
83.01247	3.3
84.01633	0.5
89.02321	0.5
93.03322	0.8
95.04910	1.3
97.02818	0.4
98.19841	1.6
99.00767	0.6
99.05525	0.4
101.02345	0.4
105.03346	4.5
109.02848	2.0
111.04425	0.8
113.06071	0.4
123.00751	0.5
125.02332	100.0
126.02668	3.8
128.03438	0.6
132.02086	0.7
133.02850	1.1
134.03618	3.7
135.04289	0.5
137.02341	8.1
139.03903	2.3
143.04514	1.5
145.06563	0.4
147.04391	0.5
149.02347	0.9
149.04651	0.4
149.05974	1.7
150.06256	0.5
160.01598	1.8
161.02347	40.6
162.02649	2.1
164.01045	0.8
165.01830	5.0
167.03436	2.8
175.03906	2.4
177.01880	0.4
177.05519	4.1
178.02707	2.2
179.03317	2.0
183.04520	0.5
193.04985	15.0
194.05321	0.8
199.03874	0.5
201.05487	1.8
203.03374	0.5
219.06584	2.0
221.04408	1.0
225.05518	0.6
229.64691	0.4
240.58354	0.4
243.06700	1.0
245.04643	0.5
255.06647	0.5
269.04468	2.7
287.05597	12.4
288.06003	1.2
305.06671	16.8
306.07465	2.3
315.08716	1.0
371.21063	0.7
463.10095	0.4
472.94733	0.4
481.11237	0.6
517.27203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
56.34954	0.1
57.03322	0.1
58.00470	0.2
59.01245	4.7
60.01600	0.1
69.19916	0.7
69.20343	0.7
71.01254	3.7
72.99172	0.3
73.02820	0.7
73.68768	0.1
75.00713	0.2
82.50852	0.1
83.01253	0.5
83.11862	0.1
85.02825	0.9
87.00743	0.6
89.02309	3.3
95.01261	0.3
98.06009	0.1
98.20647	0.2
99.00739	0.3
101.02320	4.0
112.04303	0.2
113.02316	1.9
115.03899	0.2
119.03390	1.1
120.12280	0.1
123.13540	0.1
131.03317	0.1
133.04984	0.2
143.03391	0.4
157.56029	0.1
161.04448	1.7
179.05521	0.4
235.08272	1.0
241.70123	0.1
241.86679	0.1
253.09261	13.5
254.09622	0.6
261.22134	0.3
279.23273	100.0
280.23618	11.0
295.09689	0.2
446.98306	0.2
497.58780	0.2
515.28363	1.0
516.28522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	7.5
59.01237	1.2
66.76974	0.7
69.71957	3.0
69.72372	1.4
84.34576	0.7
85.39851	0.6
98.07780	0.8
98.20546	1.5
117.03352	1.8
119.04931	1.6
121.02847	5.4
124.72737	0.8
125.05976	0.9
135.08060	1.1
137.05968	2.0
145.02829	3.5
145.06485	1.6
147.86610	0.7
149.05960	1.0
153.05460	1.1
165.05487	1.6
166.06255	1.4
167.07031	2.4
176.04634	0.8
177.05478	5.1
179.06995	1.4
189.05507	2.2
191.03455	1.8
192.07872	6.8
193.05028	1.3
196.08949	1.1
203.07059	0.7
216.07500	1.0
217.08629	1.4
223.07646	0.9
230.09325	1.1
230.13040	0.9
239.10739	1.2
245.11810	2.0
253.12315	1.3
255.10004	1.0
267.10257	1.7
297.11356	5.4
335.20285	1.1
337.25299	3.2
339.19650	22.5
340.19907	2.2
365.24643	1.5
373.25217	1.1
381.24396	8.3
383.24017	1.0
393.24185	5.1
394.24866	1.1
400.24115	1.1
401.24814	19.7
402.25217	2.9
409.23767	12.8
410.24356	1.3
434.57941	0.9
453.27911	4.3
459.28955	2.7
471.28955	2.6
472.29764	0.9
487.09500	0.7
487.28494	1.7
497.26920	1.9
515.27979	100.0
516.28198	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2802
Annotation	28,29-Epoxyplukenetione A
Peak:m/z	Relative Intensity
55.01761	4.4
59.01256	0.7
62.43315	0.4
67.53576	0.4
69.23499	3.8
88.89497	0.4
89.02304	0.6
94.73409	0.5
98.20698	0.9
99.00811	0.4
101.02296	0.6
107.04940	0.4
122.03635	0.6
125.05972	0.5
137.05994	3.0
139.03989	0.4
153.05472	2.0
160.05191	0.5
161.05936	0.5
175.50658	0.4
189.05508	0.6
198.06903	0.5
203.03326	0.6
203.07069	1.0
204.04182	0.8
207.11739	0.9
211.07727	0.5
213.09286	0.5
221.09808	0.6
223.07625	0.6
223.11218	1.0
224.08363	0.5
233.09700	0.6
235.11153	1.2
247.11241	0.5
249.09044	0.7
250.09929	0.5
251.07130	0.9
251.10658	0.8
252.07947	4.2
253.08824	1.7
254.09633	0.6
255.09866	0.9
256.10916	1.1
263.10660	0.6
264.07977	0.5
265.08673	1.9
267.10220	6.1
268.10703	0.8
277.08783	2.3
277.21707	5.0
278.09491	2.4
278.22064	6.6
279.10281	3.3
279.22363	5.0
280.07367	2.9
280.22366	0.5
281.08170	3.7
281.11487	0.9
295.09741	26.1
296.10181	3.2
305.15283	0.6
333.18542	0.4
351.19427	0.9
355.19098	0.5
359.16394	1.2
361.14099	0.5
370.21490	3.3
377.17398	0.7
389.21317	1.3
401.24789	1.5
417.24405	0.6
427.22870	1.0
430.21246	2.3
445.23874	12.8
446.24063	2.3
459.25342	1.1
471.28680	0.9
515.28009	100.0
516.28406	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	515.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.9
79.01719	1.0
84.77589	0.7
87.04362	0.9
90.22282	0.8
98.19700	1.4
113.05945	0.8
117.03283	1.7
119.04859	1.9
121.02819	3.8
125.05968	0.8
136.86885	0.9
137.05934	0.8
143.81364	0.8
145.02843	1.8
145.06496	1.6
149.05998	0.9
153.05527	1.0
159.59190	0.7
165.05440	1.1
166.06239	2.1
167.07010	2.3
177.05472	4.7
179.07028	1.2
189.05554	1.4
191.03511	1.1
192.07765	4.0
193.04997	1.0
197.09518	0.8
217.08533	1.3
219.93402	0.7
224.08455	0.9
239.10709	1.3
245.11804	1.4
252.07910	1.0
260.13992	0.9
261.12549	1.0
267.10190	1.3
271.13391	0.9
277.08914	0.8
292.10815	0.9
296.06967	1.2
297.11276	3.9
317.44318	0.7
337.25348	3.2
339.19617	17.6
340.19760	2.1
373.25369	1.0
381.24338	6.2
386.22501	1.1
393.24216	1.9
400.24417	0.8
401.24823	21.9
402.25058	3.0
409.23801	12.1
410.24005	1.5
453.27875	2.8
459.29147	2.1
471.28995	3.1
487.28494	1.9
497.27365	1.0
515.27942	100.0
516.28284	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	515.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	12.5
57.66541	0.2
59.01235	0.5
60.24722	0.2
60.35384	0.2
61.18265	0.2
65.27968	0.2
69.03321	0.3
71.01252	0.5
75.87492	0.3
76.49219	0.3
81.03326	1.0
83.01253	4.3
93.03326	0.9
95.04906	1.7
96.95895	0.3
97.02785	0.3
98.20563	0.7
100.59831	0.3
105.03336	4.4
109.02796	1.4
113.02307	0.2
121.02820	1.8
123.00759	0.3
124.01570	0.4
125.02327	100.0
126.02655	3.1
132.02023	0.2
133.02861	1.3
137.02338	12.3
138.02724	0.4
139.03891	0.8
147.04330	0.3
149.02335	5.6
150.02582	0.3
155.05009	0.3
159.04398	0.4
160.01572	0.3
161.02338	42.3
162.02646	1.7
164.01053	0.3
165.01845	1.1
165.12758	3.7
166.02634	0.5
166.13072	0.3
167.03452	1.7
173.05931	0.4
175.03941	0.6
177.01842	0.4
177.05508	3.4
179.03407	0.9
183.04398	0.8
183.13817	14.6
184.14163	0.7
197.06033	1.0
199.03957	0.8
200.04607	0.4
201.01981	0.5
201.05479	2.1
203.03502	0.6
209.11674	0.3
217.05061	0.3
219.06544	1.6
225.05466	0.9
227.03470	1.5
227.12831	25.3
228.13124	1.4
229.01387	1.7
241.05081	0.6
243.06599	1.4
246.07535	0.3
255.03119	0.3
261.07608	0.5
269.04532	8.7
270.04846	0.6
287.05594	9.3
288.05988	0.8
305.06613	4.9
306.06976	0.5
341.13748	0.3
359.14978	0.4
377.15982	2.3
378.16260	0.4
453.18997	0.6
471.20120	1.1
484.46457	0.3
497.18390	0.3
515.19025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99358	0.2
59.01251	1.0
61.98702	100.0
71.49033	0.3
83.04881	0.3
108.93259	0.2
113.61665	0.2
151.00285	0.2
234.27713	0.2
423.00037	0.3
452.33191	0.5
453.33575	0.9
454.33774	2.1
514.09210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1192
Annotation	Kaempferol 3-(3'',4''-diacetylrhamnoside)
Peak:m/z	Relative Intensity
59.01239	2.8
61.98688	1.4
65.00184	0.6
71.49335	0.5
76.25861	0.4
107.01273	0.6
118.32792	0.4
132.00981	0.4
132.02077	1.3
135.00722	1.0
151.00290	1.1
163.00308	0.9
167.04900	0.5
183.04372	1.1
185.02399	0.5
185.61598	0.4
187.03915	0.5
199.04027	0.8
211.03943	2.3
211.20442	0.4
220.90163	0.4
227.03444	33.2
228.03816	2.7
229.05116	0.7
239.03505	0.6
255.02957	66.2
256.03433	7.3
257.04523	0.6
283.02460	3.8
284.03247	100.0
285.03802	16.8
286.04269	0.9
293.04803	0.5
395.07700	0.6
413.08563	0.4
455.09985	1.2
515.11920	31.0
516.12299	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	514.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.8
59.01247	1.6
61.98700	100.0
70.17114	2.0
71.01255	0.7
72.24961	0.5
83.01250	0.7
83.77451	0.5
89.02354	0.6
95.04860	0.4
105.03352	0.7
119.04942	2.8
125.02334	26.3
126.02695	1.1
137.02350	3.7
139.03871	0.6
149.02344	0.6
151.00491	0.5
161.02348	10.7
163.03922	7.8
165.01929	1.0
167.03461	0.6
169.01373	1.3
177.05495	0.7
179.03406	0.5
269.04587	1.5
287.05618	9.8
287.08655	0.7
305.06641	5.7
398.21027	0.6
432.25354	0.6
451.09921	2.4
513.77008	0.5
514.08490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
57.03325	0.1
58.00462	0.2
59.01248	5.9
63.63097	0.1
69.19228	1.5
71.01251	4.4
72.99171	0.3
73.02809	1.0
82.63039	0.1
83.01260	0.6
83.04889	0.2
85.02820	1.2
87.00742	0.5
89.02316	3.5
91.03923	0.1
92.91531	0.1
95.01278	0.4
97.02821	0.2
98.20593	0.3
99.08003	0.2
101.02316	3.9
113.02336	1.9
119.03371	1.0
125.02289	0.2
127.07507	0.2
133.04967	0.5
143.03398	0.6
161.04456	1.7
167.07027	0.5
179.05511	0.8
189.01718	0.1
209.29855	0.2
233.22719	0.2
235.08159	1.2
253.09256	16.5
254.09586	1.0
259.20654	0.5
275.20282	0.3
277.21710	100.0
278.22055	10.6
325.68964	0.2
456.24359	0.2
509.56018	0.2
513.08862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.4
57.03309	0.2
58.00466	0.2
59.01248	6.6
63.50876	0.1
64.95118	0.1
69.03300	0.1
69.23379	0.5
69.23806	0.3
70.99296	0.1
71.01254	4.6
71.30502	0.1
72.99184	0.1
73.02821	0.8
78.25336	0.1
82.98072	0.1
83.01270	0.6
83.04891	0.2
85.02825	1.1
87.00751	0.8
89.02318	3.5
91.03878	0.2
92.31676	0.1
95.01244	0.4
97.02811	0.2
98.19840	0.2
99.00742	0.2
99.04395	0.1
101.02325	4.4
103.00112	0.1
103.03846	0.1
113.02339	2.0
115.03870	0.1
119.03391	0.9
119.33059	0.1
125.02309	0.2
126.73142	0.1
127.07519	0.4
129.01776	0.1
133.04929	0.4
143.03377	0.4
145.04930	0.1
161.04472	1.7
170.34450	0.1
179.05553	0.5
205.19348	0.1
233.22656	0.3
235.08188	1.1
253.09259	16.6
254.09625	0.7
259.20605	0.3
275.20123	0.2
277.21713	100.0
278.22064	11.0
335.91299	0.1
342.68585	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	513.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.8
59.01252	36.3
71.01254	34.7
71.48788	3.8
85.02818	8.9
87.00743	6.9
89.02317	17.8
95.01277	3.6
101.02324	19.7
111.19093	2.6
113.02297	11.8
119.03362	12.8
121.05208	7.7
122.06042	14.8
125.02309	4.0
126.56213	2.7
138.05486	7.6
148.03940	3.9
149.04514	2.9
150.05498	5.0
165.04178	4.7
166.04924	6.6
169.01295	4.1
174.12642	2.9
184.11234	5.7
188.07021	4.1
202.12271	10.9
204.06538	6.1
216.06575	7.5
216.08842	4.4
217.07330	4.2
218.07990	2.8
229.09755	10.3
231.09059	5.0
231.11299	32.7
246.11360	14.5
253.09709	3.8
271.10825	37.7
272.11267	3.7
283.47452	3.1
328.10587	3.3
346.11319	3.9
397.13742	6.4
426.17667	4.3
433.16287	4.2
451.17233	48.2
469.18073	10.9
470.16843	3.1
495.16205	8.9
513.17181	100.0
514.17670	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	513.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90643	0.5
57.03054	0.7
57.03323	11.8
57.39238	0.4
59.01245	1.6
61.98700	5.8
62.01745	0.5
69.03346	0.6
69.19234	3.8
69.19637	0.8
71.01257	0.5
73.02828	0.6
81.03314	1.1
83.01266	4.0
89.02296	1.0
93.03337	0.5
95.04906	1.8
105.03344	4.5
109.02850	1.2
109.46068	0.5
121.02836	1.7
123.00710	0.5
125.02333	100.0
126.02679	3.7
127.02828	0.6
133.02859	1.8
135.50728	0.5
137.02336	13.0
139.03984	0.6
149.02345	5.7
151.00290	1.2
161.02351	42.7
162.02689	2.3
165.01906	0.6
166.02583	0.9
167.03398	1.0
175.03883	1.1
177.05498	4.0
178.99855	1.0
181.12239	5.0
182.12775	0.5
183.04477	0.6
189.01871	1.2
191.03526	0.7
197.06015	0.9
199.04037	0.6
201.01851	1.0
201.05519	2.1
203.03506	0.8
204.04274	0.7
217.05234	0.5
219.02826	0.6
219.06595	0.6
220.44508	0.4
225.05681	0.8
225.11266	17.9
226.11641	1.6
227.03488	1.9
229.01375	1.0
232.03766	0.8
233.04469	0.5
241.05109	0.5
243.06581	1.7
245.04567	0.9
269.04559	11.0
270.04919	1.2
273.13449	0.6
287.05582	9.9
288.02881	0.9
288.06024	1.0
305.06543	2.7
306.07037	0.7
375.14462	1.8
513.08905	4.1
513.17303	1.3
514.08948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16095	1.6
57.03302	1.4
59.01246	38.1
70.36064	5.0
71.00854	1.8
71.01252	29.6
72.99167	4.1
73.02840	1.8
78.35117	1.3
85.02802	9.1
87.00730	5.8
89.02312	22.3
95.01239	2.6
98.19867	1.7
99.00753	2.1
101.02321	20.3
107.29337	1.4
108.04410	3.7
109.51306	1.7
113.02345	10.8
119.03397	11.0
121.05212	4.3
122.06011	12.6
123.03124	1.5
125.02287	5.4
136.03918	3.1
136.07597	2.6
138.05559	7.5
148.03905	3.8
149.04654	4.2
150.05521	7.5
153.01866	1.6
158.06036	1.8
159.06749	1.9
165.04221	4.7
166.04988	6.9
169.01324	6.6
172.07570	1.7
173.08269	3.4
174.12674	3.4
179.05478	2.3
180.02670	1.7
182.04553	1.6
184.11191	6.1
188.06964	1.6
189.07817	2.6
202.12276	10.2
204.06590	4.8
216.06610	3.9
216.08812	1.8
217.07326	5.3
218.08113	2.1
228.10286	2.6
229.09833	10.2
231.11336	34.2
243.11279	2.1
246.11351	13.2
253.09860	5.4
270.09964	3.1
271.10876	39.5
272.11569	2.6
328.10568	2.1
346.11343	4.2
362.08920	3.0
390.10464	3.0
397.13568	7.8
408.16333	2.1
426.17810	2.1
433.15927	2.1
433.75211	2.0
451.17151	41.2
452.17667	7.3
469.18301	8.0
470.17542	1.6
495.16086	10.8
496.16473	2.1
513.17206	100.0
514.17487	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	513.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12730	2.6
57.03321	10.5
59.01229	4.8
61.98678	4.6
71.01246	5.5
71.50696	4.4
80.50172	2.8
83.01243	7.9
93.03332	5.9
95.01260	7.9
99.00764	3.2
105.03348	6.3
109.02830	8.7
111.00745	8.4
117.03273	2.9
119.04950	5.4
121.02834	12.8
123.00739	9.8
124.01565	2.7
125.02341	100.0
133.02820	4.1
134.03662	5.4
135.04399	5.9
135.37569	3.1
137.02339	26.3
138.03116	3.1
139.00266	7.2
139.03899	3.8
141.01787	3.7
145.02783	3.8
149.02322	8.1
151.00284	5.8
151.03896	7.0
151.68341	2.8
153.01836	9.6
154.99792	5.8
155.03395	4.2
159.04390	5.7
161.02350	28.8
163.03914	5.1
163.07614	3.0
165.01878	18.6
166.02635	10.5
167.03407	8.2
167.04819	4.2
169.01355	20.7
173.02374	3.3
175.03915	10.1
177.01883	10.7
177.05457	5.6
178.02509	3.5
179.03445	4.2
181.05014	6.9
183.04440	3.2
187.03926	5.8
189.01767	7.9
189.05473	5.6
191.03410	11.9
193.01286	3.9
199.03923	3.1
201.01924	3.2
201.05386	3.8
203.03452	9.4
203.07025	3.5
204.04478	3.1
207.02831	4.8
211.03932	2.9
216.03848	3.1
217.05003	3.5
219.02959	3.9
225.03970	5.8
227.03539	4.6
229.04930	5.0
231.02908	7.4
232.03725	4.7
233.04492	11.4
239.03439	5.0
243.02881	3.4
255.02962	3.3
257.04520	6.8
269.04440	5.0
275.05432	3.6
285.03943	4.8
287.05536	7.2
288.02826	3.5
301.03516	6.9
305.06619	7.5
319.04459	5.3
367.92822	3.6
494.71759	3.3
513.08606	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	513.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	0.5
59.01239	0.9
63.02271	1.0
65.00172	0.8
70.62872	1.1
71.01241	0.5
83.01257	2.0
95.01247	0.8
106.38284	0.5
106.59928	0.4
107.01284	2.4
109.02826	1.3
112.82817	0.5
123.00739	0.9
124.01528	2.0
125.02340	4.6
139.00348	0.8
145.46918	0.5
147.04436	0.8
151.00284	9.0
152.01074	3.6
153.01759	0.6
159.04538	0.5
161.02362	2.0
163.03816	0.5
169.01324	1.4
171.04518	0.6
173.05962	1.1
175.03911	2.6
176.00999	0.6
177.01849	2.9
177.05515	0.5
178.98250	0.7
178.99799	7.0
180.00313	0.5
187.03934	1.0
188.04733	0.5
189.01860	13.7
190.02534	1.3
191.03429	2.0
192.00497	0.5
193.01326	1.0
199.03961	1.1
201.01927	0.7
203.03429	5.4
204.04007	0.9
205.01366	3.8
206.02142	1.7
207.02774	0.7
207.06483	0.8
215.03362	1.1
217.01408	1.4
217.05000	7.8
218.02100	1.4
219.02942	10.3
220.03299	0.7
227.03456	1.0
230.02301	0.5
231.02907	2.2
232.03725	9.8
233.04472	6.8
234.05202	2.3
243.02986	4.3
245.00781	1.2
245.04504	5.6
258.01633	1.3
259.02545	4.1
260.03064	0.7
261.03949	1.1
271.02429	7.2
287.01941	2.7
288.02734	12.8
288.86697	0.4
289.03391	4.5
315.01398	6.5
316.01807	1.1
332.01700	2.5
333.02542	4.2
350.02838	5.7
351.03305	2.5
451.08838	1.7
477.06653	2.6
495.07776	12.6
496.08267	1.6
513.08832	100.0
514.09131	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60442	0.5
59.01241	1.6
61.98685	1.0
67.14839	0.4
67.23726	0.4
71.01244	1.1
71.49091	0.6
80.02542	1.2
81.03320	1.2
83.04898	5.5
84.02026	0.9
89.02312	0.8
93.03316	1.2
95.04907	1.5
97.06461	1.1
109.02831	0.9
109.06466	1.2
111.32188	0.4
123.08032	0.6
125.02404	0.6
125.09620	2.2
129.36252	0.5
135.08093	1.4
139.03879	0.6
149.09612	0.7
152.00990	0.5
163.11197	5.2
164.11638	0.5
165.12769	2.6
171.10185	27.7
172.10516	1.3
181.12309	0.8
183.13858	1.1
185.10132	0.4
185.11771	1.4
187.51320	0.5
191.10707	1.2
199.13310	1.1
203.03482	0.5
207.09955	0.6
209.11772	100.0
210.12125	6.1
221.11736	0.8
223.13380	1.0
227.12822	9.8
227.14890	0.7
229.12401	0.6
231.02959	0.8
231.13771	0.6
247.13326	8.6
248.13773	0.7
265.14301	2.7
321.17291	0.6
331.23108	1.0
361.01556	0.5
375.21732	0.9
375.25665	1.0
383.22589	0.6
401.23367	1.5
419.24567	1.2
431.24344	0.8
436.89194	0.5
437.25186	0.6
449.25455	2.6
457.25345	0.6
475.27072	3.5
476.27127	0.7
493.28177	2.3
511.20300	0.9
511.29114	4.2
512.29431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92045	4.4
61.87764	4.4
64.92056	3.7
65.99695	13.6
67.01753	4.5
71.50504	5.1
83.01268	5.3
85.72962	4.3
89.66706	4.6
95.01230	6.2
99.00716	4.3
109.02805	12.5
111.00761	32.2
123.00792	20.7
124.01556	5.3
125.02324	100.0
126.02615	5.0
134.02354	12.2
137.02338	43.0
138.93019	4.5
139.00285	27.8
140.01044	6.2
141.01794	18.0
149.02289	4.8
151.00253	7.6
151.03899	8.8
152.03380	10.4
153.01817	48.5
161.02315	18.3
162.01883	11.0
164.03404	18.9
165.01778	7.2
166.02573	6.8
166.99763	33.5
167.03517	4.4
168.00424	5.6
169.01318	57.8
175.03915	6.1
177.01802	19.9
178.01305	9.8
178.99715	19.3
179.03363	5.1
180.02919	39.4
181.01366	9.8
182.99181	4.7
184.00078	6.7
185.00829	10.3
199.03827	5.3
200.03404	7.6
201.01865	8.8
201.05505	4.3
206.00891	26.5
208.02374	12.2
224.01894	11.8
269.04477	16.4
294.92807	4.6
298.07086	5.6
327.66016	4.2
342.06085	15.2
344.07758	7.5
360.07098	35.0
512.07947	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	511.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
69.03327	0.3
70.62029	0.2
71.06524	0.6
95.04858	0.3
97.06465	0.6
100.58984	0.2
111.08034	2.2
131.89700	0.3
135.08023	0.2
158.31697	0.2
163.11197	0.4
165.12769	20.7
166.13116	1.1
168.87857	0.2
183.13829	100.0
184.14165	6.6
209.11777	4.8
224.11935	0.2
227.12843	17.1
228.13165	1.0
262.82278	0.3
283.15448	1.8
296.41461	0.2
301.16562	12.1
302.16904	0.8
331.26410	0.8
368.64813	0.2
375.25342	0.4
449.29062	1.3
467.30014	1.8
493.28152	1.6
494.28061	0.4
511.29089	34.1
512.29431	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	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.4
71.01260	0.8
71.49739	0.6
80.02540	0.7
81.03323	1.2
83.01279	1.2
83.04893	4.1
84.02052	1.0
95.04906	0.6
97.06525	0.7
111.08052	0.7
111.84347	0.4
125.06017	0.4
125.09615	1.5
135.08041	0.7
147.11581	0.4
163.11185	4.0
164.11526	0.5
165.12766	9.7
166.13112	0.5
181.12265	1.0
183.13821	100.0
184.14154	5.2
191.10715	1.3
195.42897	0.4
199.13354	0.4
209.11761	69.1
210.12088	4.6
211.13319	0.7
227.12839	18.8
228.13087	1.1
283.15527	0.9
301.16562	5.9
302.16876	0.6
375.24963	0.4
393.26508	2.0
467.29846	1.0
493.28107	0.7
511.17276	0.7
511.29138	10.1
512.17859	0.5
512.29639	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	511.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
59.01246	1.6
61.98703	3.7
71.01254	1.7
71.49456	0.4
72.85897	0.2
73.02812	0.4
83.01272	0.4
85.02841	0.7
89.02324	0.6
93.03348	0.5
96.95882	0.9
99.00711	0.3
101.02311	1.3
106.26582	0.3
109.11619	0.2
113.02378	1.2
117.03345	6.8
117.05951	0.2
119.04914	51.9
120.05258	2.6
121.02784	0.4
125.02337	6.3
133.26428	0.3
135.04396	0.4
137.02353	0.5
145.02855	33.4
146.03188	1.6
155.80069	0.3
161.02359	2.5
163.03918	100.0
164.04260	4.9
177.05507	0.6
178.99483	0.3
185.11754	0.3
203.12804	1.7
205.05017	0.4
227.13016	0.2
230.65643	0.3
269.04556	0.6
287.05603	0.8
324.41220	0.3
331.15457	0.6
347.17090	0.9
349.12277	0.6
349.16534	9.8
349.20724	0.5
350.16910	0.9
365.18103	3.6
366.18427	0.4
391.17542	3.9
392.17920	0.6
470.18915	0.4
511.16635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.4
61.98438	0.3
61.98704	1.4
65.34977	0.2
70.06915	1.3
71.01272	1.2
71.97213	0.3
73.02839	0.3
73.71757	0.3
75.00768	0.5
75.61757	0.3
78.98479	0.5
79.76422	0.2
79.95605	0.6
80.78204	0.3
80.96384	6.0
85.02890	0.3
87.00745	0.5
89.02354	0.4
93.03379	0.3
94.97946	1.6
97.02821	0.4
98.19905	0.4
101.02345	0.5
110.72537	0.3
111.38527	0.3
117.03365	1.4
119.04916	85.8
120.05241	3.4
122.97473	0.7
125.02361	0.8
134.97417	0.5
145.02852	8.9
146.03220	0.3
148.99051	0.5
152.98557	0.8
159.20265	0.3
159.88326	0.3
163.03918	100.0
164.04256	4.9
164.98526	1.0
166.33661	0.3
171.10155	0.6
215.12827	1.3
215.81108	0.3
225.00760	1.6
253.09344	0.7
299.04526	0.4
325.09302	4.8
326.09494	0.5
349.16595	3.2
446.36749	0.3
511.18286	10.1
512.18939	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	511.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05438	0.3
57.03321	4.0
59.01255	1.6
61.98709	3.2
69.19435	3.3
71.01255	1.7
73.02822	0.5
79.95592	0.3
81.03335	0.4
83.01246	1.0
85.02827	0.7
87.00751	0.5
89.02343	0.5
93.03329	0.7
95.01319	0.3
96.95911	1.9
98.35923	0.3
101.02328	1.1
105.03337	1.6
109.02813	0.3
113.02334	1.0
117.03354	8.3
119.04922	54.4
120.05272	2.3
121.02870	0.6
125.02345	28.4
133.02829	0.5
135.04442	0.4
137.02351	2.1
145.02861	47.5
146.03201	2.1
149.02322	1.2
161.02365	11.8
162.02762	0.8
163.03926	100.0
164.04245	5.6
169.01324	0.6
175.03929	0.5
177.05519	1.6
179.10698	0.6
182.63109	0.3
195.38947	0.3
201.05550	0.5
203.12785	1.7
205.05045	0.5
227.03281	0.3
257.31497	0.3
269.04541	2.2
270.04843	0.5
287.05652	3.6
305.06677	0.8
331.15659	0.5
340.56827	0.4
347.17276	0.5
349.16571	13.2
350.16904	1.4
365.18079	2.7
373.13101	0.5
377.77658	0.4
391.17581	4.9
392.17737	0.7
511.16580	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	511.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03705	0.4
55.01753	3.3
57.03321	7.6
68.99690	1.1
71.01302	0.4
76.61458	0.4
79.01759	12.6
79.05382	0.6
80.02115	0.4
81.03331	2.3
83.04951	0.4
83.39600	0.4
87.04385	1.3
90.07233	0.4
97.02837	0.7
99.08034	9.2
109.02836	1.2
121.06499	1.5
123.00768	0.5
123.08064	0.9
125.02341	3.4
125.05967	1.2
127.55107	0.4
134.42200	0.3
134.58583	0.4
134.94746	0.4
141.07022	0.8
145.02943	0.4
145.06512	0.9
147.04384	0.8
149.05986	15.6
150.03123	1.5
150.06323	0.4
152.04721	1.2
155.08551	0.7
156.05669	0.6
157.06541	0.9
158.24167	0.4
159.08040	1.8
161.05995	0.6
162.06783	0.6
166.06230	1.1
167.07043	51.0
168.05505	0.3
168.07385	1.5
169.06456	2.0
171.04427	7.6
173.05984	0.6
173.09622	2.7
178.02638	1.3
183.08080	2.3
183.13794	1.1
191.03485	0.5
193.04987	20.2
194.05341	1.1
195.08046	0.6
197.09636	0.5
200.08315	0.4
207.11678	0.5
209.11678	0.8
211.11227	2.3
211.13214	0.8
213.05528	3.8
229.12302	0.9
233.09627	0.8
237.09183	0.7
238.09970	0.9
245.09650	0.8
253.12321	15.2
253.14967	0.9
254.12651	1.0
255.10191	1.2
256.10504	0.4
273.12735	0.7
275.10745	2.1
295.09827	1.0
297.11310	100.0
298.11633	9.9
299.10779	0.9
315.10172	0.5
319.13483	0.7
339.80548	0.4
343.09723	10.0
344.09955	1.4
383.60684	0.4
385.14426	1.4
425.17661	2.0
469.16507	0.9
511.17590	65.1
512.10150	0.6
512.17889	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	511.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	13.1
57.93216	0.2
59.01246	0.3
61.98697	2.2
64.19181	0.2
67.74760	0.2
69.03346	0.2
70.95603	0.4
71.87654	0.2
79.89219	0.2
81.03321	1.4
83.01253	3.4
93.03333	0.6
94.40499	0.2
95.01276	0.3
95.04886	1.8
105.03342	4.3
106.03654	0.2
109.02816	1.0
111.04383	0.2
119.04894	0.3
121.02831	0.5
123.00741	0.3
124.01560	0.4
125.02332	100.0
126.02672	2.9
132.02103	0.4
133.02869	0.9
135.04416	0.2
136.67876	0.2
137.02338	5.0
139.03894	0.7
145.06471	0.3
147.04439	0.3
149.02321	1.0
149.05995	0.3
151.03934	0.4
159.04483	0.4
160.01602	0.2
161.02347	45.8
162.02687	2.0
164.01085	0.4
165.01860	1.3
166.02530	0.4
167.03441	1.2
167.04672	0.2
173.05986	0.5
175.03937	0.7
176.04652	0.2
177.01894	0.2
177.05484	3.8
178.05952	0.2
179.03455	0.9
179.10655	1.4
183.04419	0.8
185.02376	0.4
191.07094	0.2
193.83455	0.2
197.06047	0.6
199.03951	0.7
201.05493	1.9
203.03439	0.5
209.11792	0.4
213.05518	0.4
215.07036	0.3
217.04988	0.4
219.06578	1.5
221.04498	0.5
223.09741	0.4
225.05544	1.2
227.03404	0.8
229.01375	1.0
241.05022	0.3
243.06636	1.2
261.07578	0.3
269.04523	5.5
270.04898	0.6
283.27811	0.2
285.15082	0.2
287.05603	9.9
288.05927	1.0
305.06656	6.2
306.07083	0.4
329.14139	0.4
357.55057	0.2
368.69226	0.2
373.12930	0.5
487.30600	0.2
511.16321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16928	0.9
57.03322	13.1
57.58765	0.7
61.43930	0.7
61.98704	1.9
69.24849	4.1
69.25278	2.6
71.01231	0.7
72.29086	0.6
81.03320	1.3
83.01260	5.1
86.90559	0.7
92.96888	0.6
93.03343	1.4
95.04910	2.1
100.70860	0.7
105.03344	4.1
109.02847	3.7
121.02850	2.9
123.00763	1.8
124.01584	1.4
125.02337	100.0
126.02693	3.2
133.02867	1.2
137.02342	14.5
138.03096	1.6
139.03873	2.1
149.02371	5.0
151.03891	1.3
160.01689	0.8
161.02353	36.3
162.02829	2.3
162.84325	0.6
163.03889	0.8
164.01089	2.1
164.04710	1.5
165.01848	13.2
166.02432	1.0
167.03418	4.1
174.03180	0.9
175.00340	1.8
175.03983	2.2
176.04681	0.8
177.01781	1.1
177.05539	3.9
179.03366	3.4
179.07085	2.0
179.54089	0.9
179.73793	0.6
190.02605	3.2
193.01375	1.6
199.03883	1.5
201.01807	1.4
201.05527	1.5
203.03452	1.9
205.05011	3.0
208.03764	3.0
219.06583	3.3
221.04535	1.1
223.06067	11.2
224.06389	0.9
225.05515	0.9
236.22284	0.8
243.06633	1.1
245.04468	0.9
245.63380	0.6
269.04468	1.9
274.95746	0.7
287.05585	3.9
305.06668	29.0
306.07013	3.0
329.10236	1.5
341.10175	1.8
345.09772	3.1
357.05444	0.7
467.13376	0.7
511.12445	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	511.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	6.9
65.00201	15.1
68.99708	6.2
69.24181	37.7
71.01247	4.2
71.17901	3.2
83.01270	9.2
93.03342	6.5
95.01252	12.7
98.20507	7.7
99.00747	14.6
101.61050	3.5
103.16327	3.8
107.01237	9.7
109.02821	15.1
109.99931	7.8
111.00779	21.7
121.02852	5.2
123.00764	30.9
125.02325	37.0
127.00257	7.8
133.02818	8.1
135.00784	7.5
137.02350	18.7
137.99512	5.1
139.00273	40.0
140.00966	3.8
141.01849	5.8
145.02869	7.0
147.00731	4.1
147.04402	11.5
149.02336	5.7
151.00261	46.8
152.01028	5.6
153.01834	14.6
154.99768	32.0
159.04395	13.1
161.02370	11.1
163.00252	14.9
163.03831	5.7
164.01038	9.6
164.98247	5.2
165.01825	14.6
165.98917	7.6
166.99773	40.8
168.00525	5.4
169.01286	11.4
173.02246	4.9
175.03906	13.1
177.01793	15.4
178.99754	58.4
179.03389	4.8
180.00475	6.9
181.01295	15.4
184.00066	11.4
184.18124	3.8
185.02333	6.4
187.03949	13.0
189.01836	13.1
190.02658	5.6
190.99715	19.5
191.03365	11.5
192.00452	7.3
193.01328	24.7
193.98476	4.0
194.99284	45.4
195.03008	6.1
197.00804	8.2
201.01860	12.9
202.99654	3.8
203.03423	26.4
204.97693	5.6
205.01335	14.8
206.01935	5.3
206.99315	19.9
207.02899	5.0
208.00006	8.5
209.00858	20.1
213.01907	8.7
215.03371	6.0
217.01326	15.8
218.02121	8.6
219.02942	15.4
220.03499	4.6
221.00826	15.3
221.04480	5.0
223.02531	4.0
229.01291	25.3
230.01851	5.2
231.02950	33.8
232.00050	4.7
233.00797	9.6
245.00923	9.6
246.98788	4.1
247.02412	26.1
248.03195	4.5
249.03970	38.7
251.01843	4.3
257.00873	14.8
259.02429	41.3
261.00308	14.1
262.01160	5.3
271.02454	8.2
273.00250	9.2
274.01184	12.0
275.01971	46.4
276.99860	15.7
277.03342	6.6
285.00354	12.0
286.01041	4.1
287.01913	14.0
293.03110	6.8
300.99829	10.5
302.00534	12.3
303.01425	100.0
304.01843	8.3
316.02267	6.7
317.02963	10.7
319.00629	11.5
320.01593	7.2
321.02362	9.1
328.99329	16.2
329.08710	8.2
329.99866	6.1
331.01056	9.0
343.06598	10.5
347.00418	39.2
348.00699	5.4
355.06628	26.6
359.06216	21.4
364.04321	9.3
369.04510	6.9
371.05984	10.9
375.05518	4.4
385.07858	8.7
439.08536	5.7
449.07092	4.9
463.09158	5.5
467.08270	16.5
481.09277	4.1
493.06372	13.1
494.06619	4.4
511.06390	34.4
512.07861	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98396	1.0
61.98702	17.1
64.22070	0.5
65.00191	1.1
75.24258	0.4
83.01261	1.0
98.19782	1.1
107.01267	4.6
108.02056	1.2
109.02814	3.0
121.02840	2.9
125.02316	0.7
135.00742	0.8
148.01523	1.4
149.02397	0.6
151.00278	15.0
163.00252	3.5
164.00999	1.0
169.01416	0.9
175.03891	0.6
178.99765	7.0
180.00182	0.6
181.78038	0.5
183.04413	0.8
190.99785	0.8
199.03912	1.0
204.97943	0.5
211.03926	1.7
215.03456	0.5
216.04155	0.7
226.02655	1.3
227.03450	3.2
228.04214	0.9
229.04968	1.4
233.09720	0.5
237.94534	0.6
239.03288	0.8
243.02953	8.2
244.03433	0.8
245.04482	2.3
247.13335	0.6
254.02231	2.0
255.02960	23.7
256.03452	2.7
271.02469	46.5
272.02866	5.3
273.03967	1.9
283.02429	2.2
284.03168	0.7
299.01968	1.0
300.02728	78.8
300.99796	1.1
301.03464	60.1
302.03799	5.1
447.09293	100.0
448.09653	13.5
469.76624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63546	0.9
55.94191	0.9
59.01250	4.9
63.02261	3.3
65.00177	6.6
67.01746	1.7
68.99675	2.9
69.25641	8.5
69.26067	1.8
71.01246	2.6
79.01749	2.7
83.01244	3.9
85.02860	1.0
87.00764	0.9
89.02324	1.2
92.99679	1.3
93.03288	1.5
95.01237	8.0
96.99236	1.1
99.00746	2.5
101.85447	1.1
106.00480	2.5
107.01296	6.4
109.02876	2.4
109.99939	1.9
111.00766	12.6
115.05423	1.3
117.03316	1.3
118.17088	1.0
119.04899	1.3
120.99220	1.7
121.02821	1.4
123.00764	14.8
124.01546	2.5
124.98679	2.0
125.02351	13.6
127.00234	2.1
131.04974	2.1
133.02824	2.3
133.99976	2.0
135.00751	3.5
135.04395	1.2
136.98705	3.3
137.02365	6.8
137.99464	1.7
139.00264	16.5
140.00995	3.5
141.01849	3.0
143.04855	1.9
145.02820	2.4
147.04414	2.6
148.01527	1.4
148.98717	3.3
149.02328	3.8
149.99568	5.3
151.00284	22.6
151.03867	1.0
152.01030	5.1
153.01820	3.8
154.99759	5.8
155.03336	1.0
157.02866	1.2
159.04462	5.3
161.02377	6.9
162.03116	2.2
163.00270	7.1
163.03883	2.6
164.01024	3.7
164.98201	3.5
165.01863	7.1
165.98964	2.5
166.02612	1.5
166.99788	8.1
168.00557	8.0
169.01306	3.2
169.02730	1.5
171.04443	1.9
173.02338	2.4
174.03017	2.7
175.03970	8.3
176.01004	1.8
176.04430	1.1
177.01891	8.2
177.05466	1.2
177.98964	5.8
178.99789	62.1
180.00397	4.4
181.01279	2.3
181.98544	2.1
185.02399	2.2
187.03897	6.7
189.01918	5.9
190.02582	5.7
190.99771	8.8
191.03412	11.6
192.00545	4.2
192.04227	1.4
193.01378	10.0
194.99330	6.6
195.99672	1.3
197.00752	1.2
199.03928	1.4
200.00974	1.6
201.01907	6.6
202.02609	2.3
203.03430	16.5
204.04056	1.6
204.97676	3.7
205.01350	8.1
205.98343	1.1
206.02078	4.2
206.99278	4.7
207.02818	2.9
207.99994	2.9
209.00832	2.0
213.01814	5.7
214.02554	1.9
215.03432	6.8
217.01427	7.4
218.02098	4.3
219.02895	11.9
220.03532	2.0
221.00870	2.4
222.01596	4.6
222.98785	2.6
229.01399	6.9
230.02040	2.6
231.02936	12.3
232.03432	2.2
233.00815	4.7
233.04517	4.8
234.01668	2.4
234.04750	1.2
235.02379	3.1
241.01384	4.2
243.02956	4.5
245.00903	7.2
246.01573	4.3
247.02417	4.6
248.03227	14.6
249.00319	1.2
249.03839	3.3
257.00879	5.7
258.01587	3.4
259.02472	20.7
259.99561	1.2
260.02731	1.4
261.00363	12.5
261.03922	1.8
262.01007	3.7
263.01877	3.1
269.00958	1.7
273.00336	1.4
274.01059	4.1
275.02029	6.9
276.02603	4.0
277.03445	2.5
285.00391	6.3
286.01169	1.6
287.02008	29.0
288.02457	3.4
291.01126	1.3
302.00632	3.5
303.01431	33.1
304.02130	10.6
305.02783	3.6
312.99887	14.3
315.01428	3.2
320.01559	3.1
321.02487	1.8
330.00159	3.0
331.00943	100.0
332.01324	11.3
343.06488	1.2
348.01196	11.4
349.01819	5.7
359.06165	8.8
360.06665	1.9
369.04327	1.8
371.06152	8.0
383.05963	1.1
411.09360	9.6
425.07053	1.5
449.07184	1.9
467.08203	5.0
475.05151	1.3
483.07922	1.6
493.06253	18.2
494.06226	1.7
511.07224	37.6
512.07703	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	510.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
77.50184	1.7
84.00774	2.5
120.99541	21.0
125.02316	3.5
131.50259	2.2
151.00293	3.4
178.99727	2.8
180.19406	1.8
205.01405	2.1
222.04059	2.3
227.03477	31.0
234.93179	1.9
255.02980	44.7
256.03568	7.9
284.00046	2.5
284.03262	67.7
285.03897	18.9
447.09286	83.4
448.09512	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	507.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62761	0.2
57.19088	0.2
59.01255	1.3
64.03283	0.3
86.90740	0.3
89.02326	0.6
91.03890	0.9
109.86468	0.3
114.84045	0.3
117.03349	21.2
118.03654	0.9
119.04914	32.0
120.05259	1.1
121.02854	3.4
123.04420	1.2
133.02811	0.8
145.02855	100.0
146.03191	4.5
162.03183	0.5
163.03917	21.4
164.04262	1.0
177.40492	0.2
229.61020	0.3
237.07576	0.3
269.21109	1.9
285.20911	0.4
287.22284	8.3
288.22577	0.7
347.25870	0.5
415.24863	15.0
416.25299	2.8
433.25925	20.8
434.26266	3.5
438.40076	0.3
507.29620	69.0
508.29959	13.0
508.37656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79810	0.1
59.01252	0.5
61.98699	100.0
62.98391	0.3
63.01456	0.1
69.37382	1.1
69.45688	0.1
71.01263	0.4
83.01255	0.2
86.97136	0.1
89.02323	0.3
101.02304	0.2
107.74595	0.2
120.99606	0.2
125.02316	0.2
126.98448	0.1
205.81522	0.2
345.17096	0.2
406.42834	0.2
483.20361	0.2
509.21371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81408	0.6
69.20478	0.8
69.20874	5.9
78.95773	20.5
79.54189	0.6
96.96833	1.8
125.61668	0.7
134.67467	0.6
152.99493	31.0
153.99759	0.9
171.00572	1.5
227.03250	4.5
245.04321	1.4
281.24850	100.0
282.25232	10.3
291.59155	0.7
417.24152	1.0
473.36670	1.4
509.28824	57.1
510.29269	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.8
59.01254	27.3
60.07906	1.5
61.98702	100.0
69.66969	9.5
70.07495	1.8
71.01250	20.6
72.99190	1.7
73.02821	5.5
73.45166	1.6
85.02837	5.1
87.00706	1.5
89.02321	24.9
99.00761	5.8
101.02328	16.1
113.02350	6.4
119.03400	6.1
125.02346	6.2
131.03397	4.6
135.04466	2.2
149.04433	10.0
191.05452	3.3
191.66217	1.5
211.13321	4.6
232.98601	1.5
251.07643	1.7
296.92358	1.5
313.84210	1.6
315.18155	4.7
327.12341	2.8
345.17307	2.0
447.22327	46.1
448.22794	6.5
507.20462	8.8
508.20197	1.7
508.65652	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	507.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62761	0.2
57.19088	0.2
59.01255	1.3
64.03283	0.3
86.90740	0.3
89.02326	0.6
91.03890	0.9
109.86468	0.3
114.84045	0.3
117.03349	21.2
118.03654	0.9
119.04914	32.0
120.05259	1.1
121.02854	3.4
123.04420	1.2
133.02811	0.8
145.02855	100.0
146.03191	4.5
162.03183	0.5
163.03917	21.4
164.04262	1.0
177.40492	0.2
229.61020	0.3
237.07576	0.3
269.21109	1.9
285.20911	0.4
287.22284	8.3
288.22577	0.7
347.25870	0.5
415.24863	15.0
416.25299	2.8
433.25925	20.8
434.26266	3.5
438.40076	0.3
507.29620	69.0
508.29959	13.0
508.37656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78065	0.2
57.05285	0.2
59.01250	1.5
70.50628	0.5
70.50972	0.3
71.01265	0.3
79.68404	0.2
89.02312	0.6
91.03851	1.3
93.03373	0.3
99.08025	0.2
117.03349	19.8
118.03707	0.8
119.04917	30.9
119.79947	0.2
120.05227	1.2
121.02847	3.7
123.04414	1.5
133.02850	0.8
134.03592	0.3
141.12730	0.3
145.02855	100.0
146.03194	5.0
162.03180	1.0
163.03920	22.4
164.04260	1.0
254.15065	0.2
269.21225	1.7
287.22302	8.7
288.22568	0.9
347.25900	0.5
389.27014	0.2
415.24902	14.9
416.25296	2.0
433.25934	15.9
434.26227	2.5
499.21463	0.2
507.29626	59.0
508.29962	11.9
508.37732	0.4
521.91364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70160	0.4
54.97607	0.4
59.00964	0.6
59.01247	11.2
59.32441	0.4
61.98693	0.8
69.03342	0.5
71.01247	3.3
73.02806	0.6
79.40075	0.3
82.38264	0.4
85.02812	1.1
87.00730	0.6
89.02320	3.3
101.02327	3.7
102.43616	0.4
113.02321	1.6
119.03385	0.9
125.02327	0.5
161.04463	1.2
183.13852	5.4
184.14120	0.5
193.12262	1.6
211.13329	100.0
212.13667	7.3
229.63739	0.5
235.08211	1.1
253.09261	12.6
254.09552	0.7
289.74426	0.4
317.25278	0.5
447.22241	3.8
448.22479	0.5
507.27338	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	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
55.30810	2.2
57.86370	1.7
59.01246	28.1
61.98698	11.7
63.15802	1.7
66.12603	1.9
69.15199	18.1
71.01256	17.2
73.02820	4.2
81.51035	1.9
84.63570	1.9
85.02815	6.7
87.04380	2.1
88.97931	2.0
89.02326	19.9
89.96350	2.0
99.00734	5.3
101.02341	12.5
101.02901	2.6
101.44610	1.7
113.02325	4.1
119.03368	4.4
119.04900	5.4
121.02807	2.9
125.02341	6.5
127.47523	2.2
131.03398	3.6
135.04439	3.9
145.02782	2.5
149.04443	11.3
161.04506	3.0
161.06044	1.8
163.03903	7.3
167.03375	1.9
169.01315	2.5
180.07811	5.5
183.13797	4.8
188.04512	1.8
191.05531	3.8
208.07243	2.1
211.13348	100.0
212.13640	9.1
214.78944	1.8
223.09680	10.6
233.06770	1.9
253.09332	9.0
300.06204	2.1
320.95325	2.0
370.03690	2.4
375.23520	2.4
447.22226	16.6
448.22519	3.1
459.14236	4.6
477.19427	19.3
478.19724	3.9
489.19321	9.7
507.19919	5.3
507.27673	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	505.302
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
52.79940	0.6
55.01755	0.6
57.03330	3.4
58.00464	0.6
59.00965	1.0
59.01252	16.6
59.43396	0.7
70.82282	0.9
70.82618	1.4
71.01257	18.8
72.99179	5.4
73.02805	1.3
74.48156	0.6
75.00744	18.5
78.16334	0.6
85.02822	22.9
87.00751	8.6
89.02316	4.2
91.09320	0.7
94.91258	0.6
95.01266	5.0
95.58935	0.5
99.00751	10.3
101.02288	0.6
103.00233	3.0
111.00777	1.4
113.02328	31.1
114.02656	0.7
115.00257	1.5
117.01821	2.4
129.01833	1.8
130.63307	0.6
157.01321	0.9
175.02409	3.3
182.39746	0.6
193.03404	1.2
197.20483	0.8
205.07094	2.6
216.01335	0.7
223.08208	0.8
231.05043	1.0
249.06142	6.6
255.23267	78.9
256.23575	6.9
267.07196	6.7
279.35785	0.6
445.28146	0.8
446.22015	0.6
487.28967	3.1
505.30191	100.0
506.30472	15.6
511.17230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1868
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
54.15141	2.6
59.01250	4.3
60.03503	2.5
71.01233	3.2
71.48882	4.2
102.85278	2.6
121.02883	3.0
145.02878	5.4
151.00302	3.7
151.99884	2.8
161.02382	3.0
167.07042	9.9
169.01443	4.4
193.01349	4.6
194.99205	3.0
209.08156	2.7
217.01369	3.5
229.01468	3.6
233.01027	2.9
239.10313	2.8
254.05876	2.9
255.06609	4.8
256.11014	7.5
267.06683	5.7
267.10065	2.8
269.08145	6.4
283.09689	4.7
284.10535	4.8
295.09698	7.9
296.10483	11.8
297.11026	4.3
300.10022	28.8
301.10416	3.3
310.08572	9.1
311.09134	22.9
312.10025	39.2
315.12366	68.1
316.02390	3.6
316.12778	6.5
317.02872	4.2
327.12344	100.0
328.12433	12.5
345.13416	6.9
477.17599	5.0
489.17258	4.6
507.03629	5.7
507.18353	7.5
509.64636	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	505.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44107	0.3
59.01246	0.8
74.45900	0.3
89.02297	0.4
91.03883	0.5
93.03363	0.5
98.20592	0.7
107.55500	0.3
117.03345	21.8
118.03613	0.6
119.04910	34.5
120.05256	1.6
121.02837	4.1
123.04398	1.2
133.02814	0.7
134.03572	0.4
137.37022	0.3
145.02849	100.0
146.03186	4.8
149.19850	0.3
162.03130	0.7
163.03912	20.8
164.04262	1.3
164.91202	0.3
170.57524	0.3
237.07486	0.5
267.19733	1.7
285.20694	8.9
286.21017	0.8
345.24084	0.5
413.23273	13.0
414.23315	1.6
431.24326	17.8
432.24652	2.4
505.28055	63.2
506.28421	10.3
506.36002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2809
Annotation	Mucronine A
Peak:m/z	Relative Intensity
59.01242	1.9
61.49191	0.4
71.25988	0.7
91.03881	1.0
95.50597	0.4
113.63408	0.4
117.03350	23.4
119.04917	33.3
120.05252	1.5
121.02821	3.2
123.04419	1.1
133.02838	1.0
145.02855	100.0
146.03204	3.8
162.03069	0.7
163.03925	20.2
164.04250	1.2
267.19604	1.4
285.20731	8.3
286.21072	0.5
413.23282	15.1
414.23654	2.2
431.24374	18.1
432.24582	1.2
433.65469	0.5
505.28067	66.6
506.28455	11.4
522.57471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79692	0.5
59.01236	1.4
61.63408	0.4
70.82249	1.4
91.03879	0.7
95.03430	0.4
117.03348	19.2
118.03719	0.5
119.04916	30.4
120.05252	1.4
121.02843	3.0
122.03100	0.4
123.04404	1.2
133.02875	0.9
145.02855	100.0
146.03197	5.2
162.03139	0.9
163.03922	24.5
164.04274	1.0
175.93715	0.4
203.74196	0.4
237.07594	0.4
267.19690	1.8
285.20721	7.6
286.20923	0.9
369.24435	0.5
413.23334	14.6
414.23608	2.4
431.24350	19.4
432.24713	2.6
505.28070	66.9
506.28415	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	505.2654
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
50.21297	0.4
55.01749	1.5
57.03314	1.8
58.00466	2.2
59.01251	41.2
60.01595	0.6
61.98702	0.7
65.32690	0.5
66.65433	0.4
68.10711	0.4
69.03320	0.7
71.01255	43.0
72.01597	0.8
72.99190	3.1
73.02818	10.9
75.00751	1.1
77.19408	0.4
81.03323	0.9
83.01260	3.5
85.02826	10.5
87.00751	2.6
89.02316	39.8
95.01282	2.8
97.02821	1.9
99.00760	10.4
99.04426	0.5
101.02322	29.7
102.02666	0.6
111.00712	0.5
113.02332	13.8
114.81812	0.4
115.03889	1.5
119.03384	8.4
121.02843	0.9
124.01537	0.6
125.02337	7.3
131.03395	5.3
137.02371	0.7
143.03375	1.7
149.02371	1.4
149.04454	13.1
159.02914	1.5
161.02383	0.9
161.04469	6.9
167.03427	1.6
169.01300	2.3
175.03889	0.7
177.01820	1.0
179.05617	0.8
191.05565	3.7
192.47260	0.4
209.11929	0.5
214.02760	0.4
221.06595	0.6
223.13312	0.4
233.06645	2.0
251.07677	1.8
270.01868	0.8
271.02472	2.0
275.07660	0.7
287.02057	1.3
293.08817	2.2
315.01556	0.5
316.02188	5.6
317.02588	0.5
319.04736	0.8
373.22293	31.1
374.22638	2.6
445.20566	0.9
475.17770	0.7
505.11426	3.0
505.26535	100.0
506.19406	0.9
506.26868	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	505.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96382	0.4
55.01754	3.7
57.03319	2.7
58.00465	4.5
59.01249	96.6
59.84842	0.4
60.01603	1.0
63.64698	0.5
69.03331	1.7
71.01251	78.3
71.26073	0.7
71.26395	0.5
72.01595	1.4
72.99174	4.3
73.02816	27.5
75.00746	1.2
80.59853	0.6
81.03325	0.9
83.01254	5.3
85.02821	16.0
86.03167	0.6
87.00739	2.8
89.02314	100.0
90.02656	1.2
95.01262	4.1
97.02829	2.7
99.00754	34.2
99.04436	0.7
100.01111	0.9
101.02321	54.5
102.02655	0.9
113.02331	20.1
114.02695	0.6
115.03885	1.9
119.03387	13.6
125.01467	0.8
125.02335	13.6
126.02670	0.6
131.03391	19.7
132.03670	0.7
135.04428	0.6
137.02303	1.4
139.67441	0.5
143.03384	4.1
149.04456	65.9
150.04732	2.6
151.03926	0.6
155.10704	0.5
159.02896	1.1
161.02386	3.1
161.04453	10.1
162.04848	0.5
164.62320	0.4
170.41461	0.4
179.03427	0.8
179.05507	5.0
191.05534	15.8
192.05867	0.7
217.10713	3.0
221.06569	3.1
233.06596	1.9
251.07716	6.8
269.04617	0.7
287.05518	1.0
293.08792	2.2
311.09814	0.8
355.21246	0.6
360.50058	0.5
373.22327	18.5
374.22675	2.0
417.21616	0.6
505.26529	96.5
506.26840	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	505.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.2
57.03307	1.8
58.00455	1.9
59.01246	49.8
60.01585	0.9
69.03326	1.0
71.01249	44.8
71.49812	0.4
72.01606	0.6
72.99176	2.8
73.02814	12.7
74.90136	0.3
75.00753	1.0
81.03299	0.3
83.01252	3.6
85.02818	11.1
87.00742	2.7
89.02311	41.9
90.02641	0.8
95.01253	2.7
97.02805	1.9
99.00749	11.6
99.04393	0.6
101.02316	30.7
102.02660	0.9
111.00774	0.5
113.02322	14.9
114.02644	0.5
115.03895	1.5
117.97623	0.3
119.03382	9.4
125.02328	6.2
126.02740	0.3
129.01811	0.6
131.03397	5.8
137.09642	0.7
143.03404	2.1
149.04451	13.7
150.04752	0.5
159.02870	1.1
161.04456	9.0
165.65457	0.4
167.03406	0.7
169.01332	1.1
177.01859	0.6
179.05569	1.9
183.21442	0.4
187.87039	0.4
191.05496	3.7
211.07571	0.9
211.17003	0.8
221.06584	0.6
233.06564	2.6
251.07683	0.9
271.02429	0.8
293.08762	3.0
294.09219	0.4
316.02170	1.1
343.15704	0.4
373.22278	23.2
374.22632	2.9
378.24323	0.3
403.07184	0.3
505.26520	100.0
506.19330	0.7
506.26859	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	505.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.2
58.00459	1.2
59.01249	27.9
61.98699	2.0
69.03318	3.3
69.57316	2.7
69.57731	1.4
71.01250	33.4
72.01582	0.9
72.99184	1.5
73.02817	5.3
75.00748	1.0
81.03340	1.7
83.01262	2.5
85.02817	3.9
87.00761	2.1
89.02314	37.8
90.02680	0.8
93.03333	1.6
95.01268	1.4
97.02842	3.8
98.20529	1.2
99.00755	7.1
101.02311	8.1
109.02795	0.6
111.00755	1.1
113.02327	5.0
115.03886	2.7
119.03341	1.2
121.02854	0.6
123.00766	1.0
125.02329	24.6
126.02672	1.1
131.03389	5.7
137.02403	1.0
143.03394	2.3
146.21477	0.6
146.22609	0.6
149.04437	7.9
161.04515	0.8
167.03397	0.9
169.01343	1.4
177.01965	1.5
183.07994	0.7
191.05542	4.8
209.05879	1.0
209.11856	0.7
209.59299	0.6
210.06812	14.2
211.07588	100.0
212.07938	8.0
227.71866	0.6
227.74287	0.6
233.06627	16.7
271.02350	3.1
279.03195	0.7
287.02032	1.7
293.08774	26.4
294.09109	1.9
316.02240	8.0
343.15668	3.2
343.18903	3.0
445.20599	1.7
460.39325	0.7
460.46027	0.7
505.09833	3.5
505.17276	14.6
506.17670	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36175	0.2
55.69262	0.3
59.01257	0.7
62.61142	0.2
71.01237	0.3
71.48655	0.3
71.49029	0.3
92.93995	0.2
93.03325	0.4
97.69951	0.2
117.03367	0.7
119.04908	1.6
121.02841	100.0
122.03154	3.3
145.02864	4.2
163.03954	1.3
169.51324	0.3
180.05763	0.4
181.06520	3.1
197.05998	2.6
199.07658	0.4
206.07391	0.3
207.04433	1.5
207.07974	0.3
223.03961	0.5
225.05511	2.7
256.09030	0.4
257.09738	0.7
268.17123	0.3
268.69724	0.2
269.08142	0.5
280.00259	0.3
285.09210	0.3
285.20703	0.4
301.08603	0.4
313.07147	5.6
314.07617	0.6
357.05991	0.8
383.07803	1.0
384.07822	0.3
413.23199	0.6
417.09775	10.2
418.10184	1.4
431.24551	0.8
433.09021	0.3
487.21725	0.3
505.11465	8.0
505.27869	3.2
505.35526	2.4
506.11624	1.4
506.28891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0987
Annotation	Myricetin 3-(2''-acetylrhamnoside)
Peak:m/z	Relative Intensity
56.07471	0.9
59.01248	20.9
65.00190	3.2
70.97819	2.2
71.01250	14.2
73.02806	0.9
83.01258	2.4
85.02827	2.2
89.02303	10.6
95.01257	4.1
99.00717	2.1
101.02344	8.0
107.01252	4.2
109.02821	4.2
109.58928	0.9
109.99954	6.7
111.00769	5.1
112.02161	0.9
113.02338	4.8
114.87067	0.9
119.03381	3.2
121.02822	1.3
123.00777	5.8
124.01567	4.8
125.02339	6.0
131.03346	1.6
136.01561	2.0
136.98694	2.4
137.99483	2.5
139.00270	8.8
143.03351	1.2
143.04454	1.0
145.02856	1.5
148.01526	1.5
149.02370	1.7
149.04425	2.8
151.00269	15.8
152.01056	6.0
155.04877	1.1
159.04405	2.5
161.02316	3.1
163.00285	4.1
164.01065	3.9
165.98985	8.7
166.99678	3.3
169.01305	2.3
171.04314	2.3
173.02359	1.0
174.03122	1.9
175.03848	1.7
176.01147	1.2
178.99765	14.7
183.04420	1.1
185.02545	1.2
187.03934	3.6
188.04460	1.0
189.01877	2.7
190.99715	1.2
196.99725	0.9
198.03053	1.4
199.03941	6.0
201.01875	4.0
203.03400	6.9
208.00023	1.4
209.11778	2.9
211.03998	1.3
213.01840	1.4
214.02597	4.4
215.03415	6.4
216.04008	2.0
217.01357	1.1
226.02667	1.5
227.03497	6.7
229.01318	1.9
231.02943	4.0
232.03503	1.1
241.01376	2.2
242.02206	4.5
243.02908	12.1
244.03636	1.8
245.04420	1.7
255.02986	6.0
259.02341	5.9
260.02957	1.0
266.64594	1.0
270.01669	6.6
271.02478	50.2
272.03088	8.8
273.03955	3.7
287.01974	25.7
288.02618	5.7
298.01328	1.8
299.01947	37.4
300.02277	4.7
307.13400	1.2
315.01544	8.9
316.02209	100.0
317.02786	19.7
318.03583	1.6
325.14325	4.1
343.18991	2.0
358.03165	1.3
445.07745	15.9
446.07806	1.9
452.64767	1.4
459.21716	1.3
463.09180	1.4
505.09866	63.9
505.26160	2.8
506.10278	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	505.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51102	0.6
55.33076	0.6
57.03322	0.8
57.27999	0.6
59.01254	3.2
69.03292	0.8
71.01246	1.6
71.20689	1.6
72.42437	0.7
73.02818	0.8
83.01263	1.1
83.11518	0.6
85.02829	0.7
89.02299	1.2
102.03860	0.6
107.01267	2.6
108.02091	1.7
109.02842	1.9
121.02861	1.7
123.04373	0.9
125.02335	12.2
134.03639	2.0
135.00755	0.8
135.04422	1.8
136.01553	13.0
137.02347	6.4
139.20135	0.7
143.71683	0.7
145.48338	0.7
147.37148	0.6
148.01573	1.5
149.02354	1.0
149.05991	2.0
151.00279	8.3
151.03897	18.0
153.01932	0.8
161.02376	2.1
163.00258	2.0
166.02675	0.7
167.03387	2.5
169.01341	9.8
177.01831	2.3
178.98441	0.7
178.99802	4.8
183.04533	0.8
187.03882	0.8
189.05437	0.9
193.01208	0.9
203.03548	1.0
205.93484	0.7
211.03983	1.4
211.07541	1.3
215.03441	0.7
223.09833	1.0
226.02643	1.7
227.03519	2.5
228.51276	0.7
229.05064	0.9
236.45543	0.7
243.02910	10.7
244.03404	1.2
245.04521	1.5
254.02136	1.4
255.02965	23.6
256.03320	2.8
269.04565	1.0
271.02472	56.5
272.02908	5.0
273.03934	0.9
283.02390	1.3
285.03699	0.9
299.01917	1.6
300.02734	100.0
301.03430	36.8
302.03894	2.4
305.63480	0.8
319.04669	0.8
343.11777	26.8
344.12143	2.6
362.58289	0.7
447.09576	0.9
463.08765	9.4
464.08841	1.3
505.09875	62.1
506.10214	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	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.1
63.02283	0.3
65.00196	0.4
83.01250	0.3
97.50832	0.1
107.01275	1.1
109.02865	0.2
111.42886	0.2
123.00784	0.2
124.01563	3.2
125.02366	0.4
135.00768	0.5
135.93748	0.1
136.01561	0.6
137.02321	0.5
143.04918	0.2
148.01553	0.6
151.00275	3.3
152.01065	1.3
158.03603	0.2
159.04424	0.3
161.02400	0.4
162.03064	0.2
163.00264	1.2
164.01053	2.0
165.01707	0.2
169.01350	0.3
171.04477	0.3
173.02351	0.2
174.02975	0.3
175.03960	0.5
178.99786	4.4
180.00159	0.2
185.02318	0.3
185.86127	0.2
186.03093	0.3
187.03958	0.7
188.04689	0.2
189.01816	0.3
190.99840	0.2
191.03397	0.2
192.00569	0.3
199.03943	0.6
203.03419	1.7
204.04126	0.7
213.01884	0.6
214.02657	8.1
215.03337	2.0
216.04065	0.3
217.01343	0.4
219.03004	0.2
227.03470	0.8
229.01268	0.2
230.01959	0.2
231.02983	0.9
232.03619	0.5
241.01436	0.4
242.02176	6.1
243.02914	4.8
244.03432	0.6
246.01741	0.2
259.02457	8.4
260.02844	0.8
270.01694	6.1
271.02466	40.1
272.02826	3.9
287.01971	26.9
288.02402	3.6
299.02176	0.2
315.01465	7.9
316.02216	100.0
317.02618	9.7
445.07843	1.7
463.08817	0.5
505.09866	55.0
506.10178	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	505.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
56.52777	0.3
57.03309	0.8
59.01252	6.0
60.01573	0.7
64.99197	0.3
65.00204	0.6
66.01546	0.4
69.21442	2.1
69.21852	1.3
71.00863	0.5
71.01254	8.3
71.71320	0.3
72.01588	1.6
73.01683	0.4
73.02824	3.5
83.01260	1.9
84.01595	0.4
85.02837	3.7
85.94922	0.3
86.03137	0.7
88.78288	0.4
89.02323	2.8
95.01244	0.7
98.19771	0.7
99.00755	1.7
100.01064	0.4
101.02327	7.1
102.02644	1.1
107.01260	1.6
113.02362	2.7
119.03429	0.6
123.24524	0.3
124.01538	3.8
125.02318	1.7
131.03429	0.8
135.00760	0.5
136.01450	0.4
137.02338	1.1
141.84993	0.3
142.56873	0.4
143.03363	0.4
149.04451	0.5
151.00266	4.2
152.01035	1.1
159.02934	0.4
161.04471	2.2
162.04761	1.1
163.00273	1.3
163.05034	0.4
164.01045	2.0
175.03833	0.4
178.99770	5.6
185.02469	0.6
189.01724	0.4
199.03897	0.7
203.03441	1.5
209.15469	0.6
210.15677	0.9
214.02647	8.4
215.03284	1.4
217.10687	0.5
227.03479	1.2
231.02980	0.5
232.03683	0.9
233.06696	0.6
234.06853	0.4
242.02148	6.0
243.02936	3.9
259.02448	7.4
260.02847	0.6
270.01688	7.2
271.02463	41.5
272.02814	4.0
287.01981	24.4
288.02435	4.1
315.01483	1.3
316.02219	100.0
317.02701	14.9
318.03284	0.7
343.11206	0.7
371.20511	2.0
372.21109	5.5
373.21344	3.6
445.07928	0.7
504.25375	10.4
505.09885	62.8
505.25577	15.2
506.10165	9.8
506.25589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25563	4.8
57.03321	10.4
57.78322	4.5
59.01258	7.4
60.46371	5.0
70.64750	17.7
73.01979	4.8
73.02829	8.7
83.01285	16.7
85.02831	14.8
87.00706	6.0
95.01312	6.2
99.00735	6.8
109.02849	6.1
111.00764	44.1
113.02337	10.7
116.62561	4.7
119.04991	5.7
123.00774	10.6
124.01528	6.0
125.02338	100.0
127.00283	6.4
129.01816	27.5
133.02814	6.3
137.02315	24.8
139.00259	45.5
140.00912	5.8
141.01849	17.1
149.02257	7.0
151.03902	12.3
153.01848	22.4
154.99809	37.6
157.01320	18.3
161.02402	26.4
163.03784	5.6
165.01878	12.3
166.99742	27.4
167.03426	6.1
169.01347	55.8
173.00847	7.7
175.03856	7.0
177.01871	19.2
177.05563	5.5
181.01363	8.5
185.00830	16.3
191.03400	9.0
199.03833	6.6
201.05531	5.9
203.07150	7.7
205.04979	5.1
245.04559	6.5
255.02875	4.8
269.04370	6.8
273.04242	5.2
305.06604	7.5
317.02835	9.2
335.03888	11.2
353.05209	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	504.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84352	1.3
59.01259	7.5
63.02266	2.9
65.00192	5.1
65.99715	2.7
71.01233	4.8
73.02809	1.7
78.95737	1.7
83.01231	3.3
85.02831	2.3
89.02303	3.1
93.03314	3.0
95.01254	2.4
97.02799	1.3
99.00739	2.5
101.02313	2.5
107.01267	7.5
108.02060	3.3
109.02825	22.6
109.44332	1.7
111.00767	3.6
117.53970	1.8
121.02837	6.4
122.02318	1.6
123.00762	9.6
123.04416	1.7
124.01547	3.0
125.02326	14.9
133.02831	4.3
134.02365	7.3
135.00710	2.7
135.04362	2.1
136.01570	3.2
137.02333	17.0
139.00218	2.9
139.03868	2.4
143.04912	1.6
146.02393	2.6
147.00754	4.1
147.03125	2.0
148.00374	1.9
148.01552	32.6
149.02341	20.4
149.04395	1.8
149.99519	1.4
150.02931	2.2
151.00258	28.1
151.03911	2.7
152.01012	5.6
153.01833	4.7
158.02345	2.5
159.04433	3.9
160.03885	2.3
161.02373	3.7
161.04495	1.5
161.05974	3.8
162.01862	18.3
162.55972	1.6
163.00264	15.4
163.02608	3.6
163.03886	3.1
164.01169	1.9
164.03441	14.1
165.01787	2.9
166.99771	2.5
167.03378	2.7
169.01331	9.1
171.04401	2.0
175.00270	7.0
175.02567	1.9
175.03940	2.5
176.01053	1.5
176.03319	3.5
177.01840	52.9
178.99779	22.7
179.03383	2.3
180.00223	1.6
181.01373	2.3
186.01871	14.5
187.03979	2.5
189.01974	3.5
189.05411	1.5
190.01344	7.4
191.02029	7.4
191.03622	2.3
192.00621	3.0
193.01292	5.5
199.03938	4.5
201.05455	2.7
202.01369	3.9
202.99770	13.8
203.02069	6.8
203.03699	2.9
204.02956	36.6
205.01320	4.6
205.03238	2.6
206.99315	3.7
208.00211	1.9
208.02530	2.5
211.03957	2.8
214.01372	7.8
215.03424	4.3
217.04993	3.1
219.02933	1.8
222.03990	2.7
226.02747	2.4
227.03395	7.6
229.01479	2.8
230.00835	25.8
231.01324	2.5
241.05037	3.4
242.02229	2.6
242.04605	2.4
243.02884	16.2
244.03291	1.5
245.04500	4.9
247.01302	1.6
250.05063	1.6
255.02946	9.2
256.03308	2.1
257.04507	1.8
259.02457	2.2
267.02975	4.1
269.04581	2.8
270.01721	4.5
270.04593	2.2
271.02457	38.3
272.03162	12.2
272.05817	2.5
273.04031	10.7
284.03110	2.6
285.03970	9.5
286.03561	3.9
287.01929	4.2
288.02576	3.0
289.03522	3.2
294.04056	7.9
295.08200	2.7
296.05698	3.6
299.01965	35.8
300.02576	19.6
301.03391	8.0
310.03607	3.8
312.02075	2.0
313.03326	13.4
314.04065	4.6
315.04163	2.5
316.02005	17.1
317.02957	35.4
318.03375	3.9
322.03458	13.9
323.04294	3.1
327.07172	5.8
339.03769	18.0
339.07300	8.8
340.01129	2.1
340.04529	45.3
341.04962	3.4
341.08789	3.2
343.11890	3.0
350.08704	3.6
357.04868	19.8
358.05646	30.3
359.06039	3.6
367.06702	1.8
368.09799	34.8
369.10388	3.6
394.07748	42.8
395.07950	4.1
402.88672	1.6
419.09738	5.4
437.10754	2.1
446.08551	5.7
447.09070	3.4
460.85056	1.8
463.08759	19.6
464.09381	2.3
486.10345	21.0
487.11295	2.5
504.11472	100.0
505.11359	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	504.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44711	1.4
57.03318	6.1
61.98695	24.1
70.07387	7.0
76.25610	1.6
81.03286	2.0
83.01257	2.4
99.64129	1.8
99.97021	1.6
105.03326	2.2
108.02039	1.7
109.02826	44.2
117.05917	1.5
118.69409	1.5
123.00756	2.4
125.02332	44.2
125.03255	2.2
126.02737	2.0
137.02347	3.2
139.03868	2.4
142.41264	1.7
153.01826	100.0
154.02222	4.1
161.02359	18.8
165.01797	2.0
167.03389	2.7
169.01315	5.2
177.01985	1.6
242.08398	1.4
269.04358	1.8
277.34500	1.9
287.05478	8.8
305.06570	6.7
347.45154	1.6
441.08145	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	504.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	9.0
63.02279	3.0
65.00195	5.4
65.99710	2.7
68.63305	1.7
71.01237	4.3
71.49308	2.7
75.52052	1.9
83.01267	4.2
85.02848	2.4
86.31445	2.0
89.02367	1.8
93.03345	4.5
95.01247	3.8
99.00724	3.1
107.01231	9.4
107.21332	2.0
109.02859	24.4
111.00734	3.1
121.02865	5.4
121.84541	2.0
123.00751	6.4
124.01581	5.1
125.02316	20.1
133.02869	5.1
134.02368	5.8
135.00778	4.3
136.01561	4.2
136.03912	2.3
137.02341	19.8
139.03928	3.3
144.91888	2.0
146.02345	3.8
147.00800	3.6
148.01558	31.7
149.02342	22.0
149.04367	3.0
150.03101	2.9
151.00287	33.1
151.03888	4.7
152.01024	5.1
153.01767	2.4
158.02364	3.4
159.04445	3.1
161.02379	5.4
161.05890	2.0
162.01915	16.0
163.00284	12.2
163.02594	3.7
163.03954	2.9
164.01082	3.2
164.03398	13.4
165.01913	3.5
167.03384	2.2
169.01395	10.4
174.03198	3.6
175.00273	6.3
175.02638	2.6
175.03996	2.8
176.01019	3.9
177.01862	41.5
177.05421	2.6
178.02368	3.2
178.99771	18.9
186.01903	12.6
187.03929	4.4
189.01956	3.3
189.05521	4.1
190.01372	6.2
191.02173	7.0
191.03610	3.1
192.00432	2.0
193.01405	4.1
199.03886	5.3
202.99788	13.2
203.01900	4.0
204.02954	32.9
205.01410	2.8
205.03337	3.6
206.99332	2.2
207.03105	2.5
214.01413	6.5
215.03456	5.9
222.04042	3.0
226.02672	2.1
227.03497	10.0
230.00801	22.7
231.03052	3.7
233.04565	3.1
243.02968	13.4
244.03513	2.7
245.04449	4.2
249.93362	3.0
250.05109	2.3
255.02960	12.4
257.04361	2.9
259.02429	4.0
269.04504	2.4
270.01498	2.8
271.02457	38.7
271.05121	3.3
272.03137	13.0
272.05719	4.0
273.03900	10.8
285.03998	7.6
286.04193	2.8
287.02011	5.4
288.02725	2.8
289.03577	3.1
294.04059	5.1
295.08307	4.1
298.03717	2.4
299.01889	29.1
300.02682	30.5
300.05722	2.9
301.03342	10.3
312.05365	2.3
313.03427	12.8
315.04004	3.9
316.02042	13.8
317.02975	28.2
318.03372	4.1
322.03616	13.4
327.07260	7.3
339.03772	12.8
339.07358	11.8
340.01166	2.7
340.04550	49.0
341.05350	4.0
341.08994	2.3
342.11050	2.3
343.11810	4.8
350.08810	3.1
357.04803	18.9
358.05649	34.8
359.05716	4.0
368.09851	33.9
369.10095	5.3
394.07733	42.4
419.09952	3.9
437.10712	2.1
446.08179	5.6
447.09134	2.8
463.08868	21.3
464.09338	3.7
486.10312	26.2
487.10989	3.4
504.11469	100.0
505.11459	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45474	1.1
56.34677	1.0
57.03344	2.2
59.01247	3.7
61.98708	11.2
62.12791	0.9
64.66315	1.2
70.92220	1.1
71.01246	2.9
71.49293	1.6
71.49661	1.0
73.89622	1.0
83.01263	2.3
93.13429	1.0
95.01296	1.2
97.02872	2.6
101.02333	2.0
102.61952	1.1
103.12109	1.1
106.45091	1.1
107.01258	1.5
109.02849	9.4
111.00745	1.6
123.00736	2.5
123.04413	3.5
125.02341	61.3
125.18713	1.1
126.02673	2.3
135.04297	1.2
137.02342	7.3
140.01134	1.1
145.02853	2.2
149.02356	2.2
151.03891	5.3
161.06009	1.6
162.41357	1.3
164.01024	1.9
165.01865	1.7
166.99757	2.7
168.00592	1.1
169.01341	100.0
170.01648	3.8
179.03380	2.3
187.04048	1.4
193.01341	5.0
203.07092	3.7
205.04965	2.8
245.08163	5.8
271.02451	2.0
271.06134	5.5
289.07166	37.8
290.07571	3.5
303.04898	1.7
327.12000	1.6
331.04535	1.9
342.14124	1.5
441.08246	37.5
442.08508	4.3
463.08640	1.6
503.19348	6.2
504.11624	2.1
504.19437	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	503.2498
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.01758	3.2
57.03322	3.0
58.00468	1.2
59.01249	26.7
60.01564	0.2
69.03304	1.6
69.31139	2.2
71.01251	50.0
72.01587	1.0
72.99194	1.8
73.02818	19.0
73.32056	0.2
74.03122	0.4
75.00744	1.6
81.03336	0.7
83.01256	6.4
84.02006	0.3
85.02821	19.7
85.99971	0.5
86.03165	0.5
87.00756	2.2
89.02317	17.9
90.02704	0.3
95.01259	3.2
97.02820	2.9
99.00756	11.4
99.04376	0.5
101.02322	37.8
102.02671	1.0
109.02831	0.3
111.00751	1.3
113.02327	17.8
114.02650	0.3
115.03906	1.8
119.03408	2.1
123.08085	0.3
125.02329	4.9
129.01828	0.8
131.03398	3.5
137.09608	0.8
141.01843	0.3
143.03407	2.4
149.04456	5.0
159.02896	3.2
159.04143	0.4
161.04457	17.5
162.04900	0.5
165.12741	0.2
172.83202	0.3
191.05518	1.5
209.13397	0.3
209.15402	5.4
210.15756	0.5
215.05533	0.4
233.06624	4.4
233.15421	0.4
267.06674	1.3
271.02368	0.3
282.09045	0.5
293.05423	0.4
293.08740	3.1
294.05267	0.3
297.11313	0.4
307.69287	0.2
308.06625	0.3
309.07700	0.5
311.05594	0.4
315.01483	1.3
323.09335	0.4
326.08090	0.3
341.10333	3.3
342.10547	0.5
353.19604	0.4
371.20731	46.1
372.21088	5.5
503.24969	100.0
504.25320	18.0
504.31296	0.3
526.72205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93641	0.6
57.03307	0.8
68.99670	0.7
70.69471	1.6
73.64310	0.5
77.72234	0.5
79.01775	1.9
99.04394	0.7
109.02847	1.2
121.02839	0.7
122.03619	1.5
127.03915	1.1
135.04471	0.7
137.02328	1.7
138.03145	0.8
149.02328	4.9
149.06093	0.7
150.03128	28.4
151.03934	4.0
163.03908	1.9
165.05489	1.4
166.06256	0.9
176.04654	0.7
177.01869	1.2
178.02631	32.4
179.03021	1.4
183.08067	0.8
191.03381	1.1
193.04906	0.9
194.05806	1.3
205.05019	1.1
210.01657	3.4
219.10275	0.8
239.10721	1.3
253.08502	1.3
254.09567	3.4
257.19049	1.8
281.08124	3.3
282.08966	12.2
283.09564	1.1
286.19379	2.3
329.24664	1.1
353.24921	0.8
355.22842	1.8
397.23810	24.6
398.24121	3.5
459.29062	1.6
461.26801	1.6
471.70108	0.7
485.27094	2.2
503.28040	100.0
504.28369	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	503.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88640	0.6
66.06228	0.6
70.64470	1.8
79.01788	1.1
83.01300	0.7
84.35294	0.6
87.65813	0.8
91.37788	0.5
99.04395	0.7
109.02848	1.3
111.71782	0.7
121.02813	0.7
122.03635	1.4
123.00790	1.1
123.04460	1.2
125.02332	0.8
127.03938	1.2
137.02367	3.6
139.03923	0.7
149.02356	6.0
150.03130	31.7
151.03938	9.1
152.00842	0.6
161.02350	1.0
163.00272	0.8
163.03929	3.5
165.05415	1.5
171.04385	0.9
176.04707	2.4
177.01842	2.0
178.02632	36.2
179.03027	1.3
191.03375	1.0
201.09108	1.5
205.05118	1.2
210.01640	4.1
219.10204	0.9
226.81203	0.6
229.08713	1.9
244.10992	1.9
245.11826	1.2
253.08850	0.8
254.09399	4.6
281.08231	3.3
282.08957	14.7
283.09464	2.9
397.23828	2.1
459.28958	2.0
461.27014	3.1
462.27673	0.9
485.26923	6.9
486.27185	2.1
503.28036	100.0
504.28357	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	503.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.8
56.88245	0.5
57.03324	2.0
59.01249	100.0
60.01574	1.1
61.98699	0.8
63.57902	0.5
69.89050	0.6
71.01254	11.1
71.49593	0.5
72.99202	0.9
73.02411	0.7
73.02817	14.9
73.03204	1.0
79.41268	0.5
83.01261	1.9
85.02832	4.2
87.00753	2.8
89.02305	7.8
89.02757	0.6
93.03373	0.6
94.62607	0.6
95.01266	1.2
99.00756	1.1
101.02321	6.4
109.02841	0.7
113.02324	6.6
115.31092	0.5
119.03387	3.5
121.02840	1.3
122.03636	0.7
123.00780	1.0
125.02320	3.7
128.03465	1.4
128.57657	0.6
130.04184	0.9
143.03452	1.2
143.04561	1.7
149.02357	0.8
149.04465	1.1
149.06076	0.8
151.00299	0.7
151.03966	0.9
161.02402	0.7
161.04469	2.8
163.11205	0.8
167.03375	0.6
179.05580	1.8
187.11200	3.5
205.12250	1.4
207.10272	2.5
209.06140	1.4
237.12602	0.6
263.12985	1.6
278.73959	0.6
281.13962	38.8
282.14352	3.8
305.14096	2.9
306.07755	1.2
307.07645	0.9
309.11124	0.6
323.12634	5.5
341.13977	10.5
342.14197	1.2
345.35541	0.6
371.20532	1.1
465.15112	0.5
503.18976	1.3
503.25330	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.301
Annotation	Nemorosone II
Peak:m/z	Relative Intensity
50.36969	0.4
55.01759	0.7
56.45692	0.4
59.97459	0.3
60.84555	0.4
69.35262	0.3
69.76302	0.3
70.05576	0.7
70.05985	1.4
72.45028	0.4
79.01760	0.4
81.07123	0.4
98.20547	0.6
99.08047	3.7
119.99419	0.4
125.05955	0.9
135.04422	0.7
135.08052	5.2
141.07025	0.4
149.05952	0.5
151.03912	0.9
152.04652	1.1
165.05473	0.9
166.06235	3.4
167.07047	21.5
168.07407	0.8
177.05486	6.3
179.07048	11.5
180.07355	0.8
191.07014	0.5
192.06099	0.5
192.07834	9.3
211.11237	5.7
215.31526	0.4
228.48700	0.4
245.19048	0.5
249.18628	0.5
253.12309	0.4
255.10217	12.3
256.10416	0.8
257.11615	0.5
259.13406	2.9
261.15051	0.8
269.11795	0.6
297.11298	0.8
348.29901	0.5
387.26956	2.6
501.30075	100.0
502.30392	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3008
Annotation	Nemorosone II
Peak:m/z	Relative Intensity
55.01747	0.8
71.50810	0.9
93.81352	0.6
97.02790	0.8
99.08025	2.6
109.02821	0.9
121.06443	0.8
135.08051	0.9
152.04709	1.4
156.33981	0.7
166.06267	3.7
167.07039	17.4
168.07375	1.0
177.05492	10.3
179.07045	2.0
191.07076	2.9
192.07819	12.7
206.05637	0.8
211.11220	1.3
215.14200	0.7
231.10208	2.3
245.11800	1.7
246.12537	4.0
255.10258	4.6
259.13376	3.4
269.11725	0.9
274.64697	0.7
320.55652	0.7
323.12863	1.0
387.26578	1.1
440.91211	0.6
501.30078	100.0
502.30399	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20480	0.7
60.97677	0.7
63.02264	1.8
65.00182	3.7
65.99712	1.1
69.29741	3.4
69.30177	3.1
71.88234	0.7
83.01234	1.6
87.26768	0.8
105.28701	0.7
107.01267	5.7
109.02852	1.0
121.02851	1.3
123.00716	0.7
125.02319	2.6
128.11719	0.7
134.02374	1.0
137.02332	1.3
143.04886	1.6
147.00764	0.7
149.02325	2.7
149.57507	0.8
151.00267	20.3
152.01021	2.6
158.02260	0.8
159.04427	1.2
161.02353	3.0
163.00270	3.5
164.00995	1.7
169.01338	2.2
171.04413	2.3
175.02634	2.0
176.01054	1.4
176.03392	1.0
177.01880	4.4
178.99782	17.8
183.04391	1.3
186.01869	7.7
187.02376	0.9
187.03958	1.6
189.01947	0.8
191.03416	1.0
192.00607	1.0
193.01295	1.8
199.03972	1.8
202.01331	1.8
203.01811	0.9
203.03622	3.7
212.35294	0.7
212.94240	0.8
213.01872	1.7
214.02740	1.4
215.03470	5.8
216.03929	0.7
217.01328	1.0
217.04593	0.7
217.78130	0.7
219.03038	0.9
220.96678	0.8
227.03470	3.8
229.05043	0.7
231.02852	2.7
232.03896	0.8
239.03519	1.4
241.01370	1.5
242.02170	3.3
243.02959	6.8
245.00867	1.3
245.04579	0.9
252.02953	0.9
254.04494	1.7
255.02953	3.3
255.05251	1.5
256.03494	1.7
257.04578	1.9
259.02432	10.9
260.02637	0.8
265.01147	0.8
266.04599	1.5
267.02951	1.8
268.06055	1.0
269.04565	2.8
270.01544	1.5
270.04303	1.0
271.02408	12.8
272.03104	4.0
273.03946	0.9
281.03217	0.8
282.04099	8.0
283.02435	2.6
283.04919	1.9
284.03140	2.3
284.05920	1.0
285.03958	4.0
287.01974	34.1
288.02585	7.8
289.03436	2.5
294.04099	2.9
295.02515	1.6
298.01242	3.6
300.02682	2.0
301.03485	1.2
310.03610	9.6
311.01697	9.9
311.05048	1.1
312.02136	2.0
312.05289	5.9
313.03473	2.2
315.01456	100.0
316.02084	24.2
317.02954	9.6
320.01990	1.2
326.03033	3.9
328.02209	3.1
329.02966	10.8
330.03604	0.9
337.02148	1.3
338.03036	37.1
339.03760	17.4
340.00757	1.4
340.04547	17.8
341.04843	1.4
355.03275	21.8
356.04059	20.4
357.04541	1.7
435.09378	2.8
462.08014	21.6
463.08517	1.8
475.08704	1.3
484.08786	2.8
502.09897	62.8
503.10172	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	501.3008
Annotation	Nemorosone II
Peak:m/z	Relative Intensity
51.10588	0.3
55.01754	0.9
57.03090	0.3
57.03321	3.2
58.43974	0.3
70.80742	0.7
79.01761	3.8
87.04401	0.8
93.80148	0.3
99.08045	1.3
121.06454	0.4
123.08053	3.1
133.06413	0.4
138.83147	0.3
147.36000	0.3
149.05972	4.9
150.03191	0.5
151.00246	0.3
153.31529	0.3
155.08652	0.3
159.08049	0.6
166.06299	0.7
167.07056	5.2
171.04419	1.6
171.13142	0.3
173.09641	0.8
175.07558	0.5
178.02652	0.5
179.03455	3.3
183.08040	0.8
191.03288	0.3
193.04977	8.5
194.05759	3.6
200.08403	0.5
211.11249	1.0
219.06377	0.3
225.12959	0.4
226.04713	0.8
229.12079	0.3
253.12320	5.7
253.21426	0.3
254.12891	0.4
255.10254	0.6
257.15378	0.4
265.33356	0.3
273.18484	0.3
297.11310	26.6
298.11667	2.9
301.14410	0.6
317.17593	1.1
358.30576	0.3
425.12924	0.3
457.31094	6.4
458.31387	0.9
471.34094	0.3
501.30090	100.0
502.30432	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	501.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03327	4.7
68.99704	0.4
79.01762	4.6
79.05380	0.4
87.04414	0.6
99.08038	1.1
109.02809	0.8
114.14930	0.3
121.06501	0.6
123.08057	3.8
147.04344	0.4
149.04872	0.6
149.05986	7.4
150.03101	0.5
151.00343	0.5
151.03925	0.8
155.08557	0.4
159.08026	0.7
166.06239	1.0
167.07039	7.5
171.04411	1.8
173.09633	0.9
177.01781	0.4
178.02583	0.5
179.03415	4.1
183.08028	1.7
193.04979	10.0
194.05731	3.5
198.05269	0.3
200.08282	0.4
209.85542	0.3
211.11205	1.4
217.58615	0.3
226.04825	1.3
229.25098	0.4
235.11136	0.4
237.08974	0.4
238.09856	0.6
253.12277	7.0
254.12717	0.8
255.10214	0.9
297.11304	29.1
298.11642	2.7
313.50699	0.3
329.17554	0.4
445.23697	0.4
457.31165	5.2
458.31433	1.1
483.29120	0.5
487.86160	0.5
501.30084	100.0
502.30417	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	501.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
57.03313	2.7
59.37537	0.4
68.99674	0.5
73.24630	0.4
78.51445	0.4
79.01276	0.5
79.01750	4.2
79.13902	0.4
87.04356	0.6
98.19788	1.2
121.06468	0.9
123.08038	1.5
124.01595	0.5
125.64770	0.4
143.42947	0.5
149.05980	5.3
150.03111	0.7
151.03922	0.9
155.08557	0.5
159.07993	0.7
166.06252	1.3
167.07033	3.8
171.04437	1.5
173.09639	0.6
179.03421	6.4
182.05768	0.6
183.08038	0.8
184.53729	0.4
193.05009	9.8
194.05795	8.2
195.06021	0.6
196.08896	0.5
198.05104	0.6
208.07349	0.5
211.11276	1.0
219.06473	0.5
226.04762	2.6
253.12315	7.1
254.12759	0.9
255.10324	0.6
283.09433	0.5
297.11301	34.0
298.11725	3.3
450.13147	0.4
457.31058	4.4
458.31339	0.7
501.30087	100.0
502.30414	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	501.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30151	0.3
55.01749	0.5
63.34030	0.3
69.04712	0.4
71.12479	0.8
90.72649	0.4
99.08035	2.3
122.03645	0.5
123.04386	0.4
125.05990	0.5
133.06499	1.1
135.04433	1.4
135.08031	2.1
145.10089	0.3
147.08044	0.3
149.05968	1.2
151.03897	0.8
152.04610	0.6
157.42110	0.3
161.09610	0.6
165.05460	1.4
166.06264	3.7
167.07060	10.0
168.04094	0.3
168.07472	0.4
168.69135	0.3
171.08070	0.4
177.05486	16.6
178.05786	0.7
179.07040	5.6
189.02913	0.4
191.06993	1.8
192.07843	20.9
193.08212	1.6
205.08638	1.8
206.05836	0.4
211.11276	1.7
215.14268	0.4
241.15976	0.4
245.11810	1.4
245.19078	0.4
255.10223	4.9
256.10645	0.4
257.11856	0.6
259.13394	7.2
260.13870	0.9
274.15778	1.1
275.16110	0.4
286.12149	0.3
297.11230	0.4
321.22235	0.4
387.26819	0.6
445.23788	0.4
501.30081	100.0
502.30420	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16378	0.4
55.01743	1.1
56.80185	0.5
57.03319	3.6
61.92778	0.4
63.28032	0.4
67.56768	0.4
70.05272	2.1
72.96845	0.4
79.01769	4.6
79.23587	0.5
84.61621	0.4
87.04401	0.5
95.20580	0.4
98.19926	0.6
99.08027	1.6
100.61771	0.5
109.02831	0.8
121.06467	1.0
123.08041	3.8
142.23573	0.4
147.04404	0.7
149.04866	0.6
149.05984	6.6
151.03876	1.4
159.08081	0.7
162.92888	0.5
166.06229	1.3
167.07054	7.3
168.07472	0.5
171.04404	2.2
173.09666	0.7
178.02582	0.7
179.03432	6.8
183.08084	1.7
191.03406	0.5
193.05000	10.1
194.05794	7.0
198.05286	0.5
208.07431	0.8
211.11140	1.3
225.12677	0.5
226.04756	1.8
229.12271	0.5
240.16243	0.5
253.12315	7.2
254.12563	0.6
255.10191	1.0
297.11310	28.8
298.11737	2.8
369.54395	0.6
406.25763	0.4
429.94098	0.5
445.24063	0.8
457.31094	11.4
458.31631	2.2
501.30090	100.0
502.30463	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	500.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69249	0.2
59.01235	0.3
61.98698	100.0
70.36106	0.3
70.36452	0.6
382.15723	0.2
451.52353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1918
Annotation	Artonin M
Peak:m/z	Relative Intensity
55.01751	3.1
57.00511	0.4
57.03056	0.5
57.03323	8.4
59.01245	0.4
68.99687	0.9
69.40829	2.1
69.41228	0.9
73.02795	0.4
79.01760	17.1
79.05413	1.0
82.23522	0.4
83.04911	0.5
87.04383	1.3
92.38439	0.4
97.02802	0.8
99.08026	9.2
109.02825	1.2
111.04378	0.5
117.03384	0.5
121.06483	1.2
123.04410	0.5
123.08048	1.4
125.05946	1.2
130.04195	0.5
131.04855	0.6
143.04929	0.5
147.04405	1.2
149.05981	20.1
150.03117	2.1
150.06351	1.2
152.04680	1.8
153.63995	0.4
155.08611	0.9
159.08081	1.9
161.05977	0.8
166.06294	0.7
167.07045	50.8
168.07391	2.7
171.04427	10.3
171.05904	0.4
172.04730	0.7
173.05849	0.5
173.09608	2.2
175.07443	0.6
178.02586	1.2
183.08113	3.4
184.05232	1.1
185.05847	0.8
191.03389	0.9
191.07039	0.5
193.04979	26.8
194.05383	1.5
195.08208	0.6
196.08818	0.6
197.09601	0.5
200.08374	0.9
209.11815	0.5
211.11276	2.4
223.07727	0.6
225.12871	0.6
229.12161	0.6
233.09624	1.2
235.06001	0.6
235.11224	0.8
237.09013	0.7
238.10005	0.6
241.08656	0.7
251.10724	0.7
252.76157	0.4
253.12312	15.5
254.12514	2.1
255.10239	2.3
257.09561	0.6
275.10773	3.0
281.08136	1.0
282.08911	0.5
295.09680	1.7
295.13034	0.6
297.11304	77.6
298.11655	8.5
299.10864	1.1
301.08652	2.2
316.29346	0.4
334.12146	1.1
339.34769	0.4
355.13226	0.8
363.12299	5.6
364.12689	0.8
364.95016	0.4
369.14920	1.0
385.14639	0.8
425.17639	3.4
451.15469	1.7
452.15891	0.5
465.77841	0.4
469.16513	16.4
469.33517	0.8
470.16888	2.9
501.19165	100.0
502.19489	18.9
502.26913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37459	0.4
57.03319	11.7
59.01239	1.6
61.78360	0.4
61.98701	1.1
81.03329	1.8
83.01255	3.2
95.04905	1.9
96.27223	0.4
101.02325	0.6
105.03344	4.1
109.02821	0.7
121.02871	0.6
125.02328	100.0
126.02673	3.7
132.02098	0.6
133.02834	1.2
137.02338	9.9
139.03918	0.6
149.02365	1.1
160.01547	0.7
161.02339	43.2
162.02701	2.3
162.64328	0.5
165.01843	1.2
166.02605	0.8
175.03975	0.8
177.01830	0.4
177.05478	3.4
179.03365	0.6
179.04811	0.4
197.05975	0.7
199.03954	0.4
200.04529	0.5
201.01752	0.5
201.05475	2.0
203.03493	0.5
213.14868	1.4
219.06599	1.3
221.15419	0.8
225.05533	0.6
227.03468	0.5
229.01254	0.6
241.05196	0.4
243.06557	0.9
253.09369	0.4
261.07666	0.7
263.93719	0.4
265.14246	0.4
269.04501	3.4
270.05060	0.7
287.05569	7.3
288.05838	0.9
305.06680	3.8
335.18848	0.9
345.17032	0.7
363.18222	1.2
457.22247	0.6
483.19836	0.8
501.23065	1.6
501.30472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15731	0.4
55.01757	5.7
69.48579	0.3
70.51035	0.8
70.51402	0.8
72.07212	0.4
74.53458	0.3
80.35311	0.4
94.89245	0.4
99.08045	0.8
122.03614	0.6
124.15974	0.5
137.05997	2.6
159.08032	0.5
166.06259	1.4
166.91699	0.4
167.07054	3.3
179.07034	0.4
182.05717	0.5
187.07573	0.5
189.05431	0.7
190.02563	0.5
190.06343	0.7
193.10237	0.4
199.90530	0.3
203.07010	1.2
204.07780	1.3
215.10663	1.2
217.08655	0.8
221.09650	0.9
223.07596	0.8
233.09738	0.7
234.10544	0.6
235.11165	1.0
237.09210	1.2
238.09982	0.7
241.08563	0.7
246.67336	0.4
249.09213	0.9
250.06023	0.5
250.09901	0.5
251.07172	3.3
251.09491	0.5
251.10724	0.7
252.07762	1.1
253.08760	2.1
257.11978	0.4
263.07205	0.8
264.07819	0.5
265.08719	1.5
266.09436	1.7
267.10281	2.7
271.13461	0.5
272.14273	0.9
273.14978	0.8
277.08691	0.6
277.12103	0.7
278.09515	0.8
279.10159	1.5
280.07428	1.1
281.08197	9.8
282.08643	0.7
282.74002	0.4
292.14722	1.0
293.15262	0.5
295.09735	7.3
296.10315	2.7
305.15356	0.7
332.14075	0.6
333.14694	0.5
347.16367	0.9
353.21097	0.6
354.22043	7.1
355.22336	1.2
358.36444	0.4
381.24677	0.8
385.25366	3.2
386.25916	0.6
401.24817	1.7
414.22086	2.6
415.22339	0.5
429.24347	10.1
430.24609	1.6
443.25821	1.3
444.26068	0.5
455.29645	2.0
456.29654	0.5
499.28528	100.0
500.28888	21.2
500.36389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2852
Annotation	Hyperibone K
Peak:m/z	Relative Intensity
55.01757	5.6
71.48676	1.1
98.04118	1.0
129.36189	1.1
135.07967	1.1
137.05946	2.5
153.05476	1.2
167.06943	1.3
179.07069	1.5
190.06233	1.1
241.08838	1.2
252.07893	1.7
253.08641	1.9
254.08881	1.0
267.10193	2.3
281.08282	8.5
282.08575	1.3
295.09808	5.2
295.51282	1.1
329.18707	1.6
354.21921	8.4
363.23059	1.3
385.25415	4.7
401.24689	2.7
414.22128	5.7
427.30203	1.5
429.24402	10.9
430.24902	1.4
443.25848	1.5
455.29550	2.1
499.28534	100.0
500.28857	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2853
Annotation	Plukenetione F
Peak:m/z	Relative Intensity
50.67656	0.5
50.98106	0.5
51.95933	0.5
55.01764	5.3
59.01247	0.6
69.14302	5.7
69.40414	0.5
79.66312	0.5
98.20609	0.8
122.03574	0.6
137.05992	2.9
139.03889	0.7
141.05527	0.6
153.05482	0.7
167.07034	0.8
182.05630	0.7
189.05460	0.5
190.06369	0.7
196.08858	0.6
201.05576	0.6
203.07089	1.0
218.09204	0.5
221.09615	1.0
229.08398	0.6
234.10365	0.6
235.11189	1.0
241.08702	0.5
249.09254	1.0
251.07149	1.2
253.08659	2.4
264.07977	1.0
265.08826	1.5
267.10339	2.9
278.09320	1.4
279.10187	1.5
280.07578	0.9
281.08179	6.7
286.15668	1.0
287.16492	0.7
295.09753	6.4
296.10281	2.1
299.16431	0.7
305.11829	0.6
317.19089	0.7
331.12994	0.5
352.20477	0.6
354.21960	8.7
355.22278	1.5
381.24396	0.6
385.25351	4.8
386.25735	1.1
401.24707	2.4
414.22015	4.7
415.22220	1.0
429.24377	11.4
430.24432	2.5
440.26688	0.7
443.25961	1.2
444.25598	0.6
455.29608	2.1
457.27725	0.7
499.28528	100.0
500.28864	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.5
56.05323	0.3
74.18874	0.4
98.20620	0.7
99.08018	0.6
121.02789	0.4
121.71281	0.4
122.03593	0.7
137.05997	2.9
153.05437	1.0
167.07042	1.2
182.05756	0.9
190.06282	0.4
191.07101	0.6
203.07053	1.2
204.07533	0.4
207.11868	0.5
209.33475	0.4
215.81955	0.4
221.09596	0.4
224.08510	0.5
229.08707	0.8
233.09671	0.4
235.11230	1.1
239.10725	0.4
241.08661	1.2
250.10039	0.5
251.07167	1.3
251.10446	0.4
252.07916	1.0
253.08702	3.0
254.09013	0.6
263.07153	0.5
264.07870	0.8
265.08640	0.7
267.10248	2.2
277.08743	0.7
278.09601	2.0
279.09933	0.6
280.07361	1.4
281.08157	10.3
282.08582	0.7
295.09741	10.6
295.13013	0.7
296.10300	1.6
317.19077	0.8
329.19089	0.6
339.19492	1.1
341.19754	0.4
352.20355	0.5
353.51276	0.4
354.22021	10.4
355.22275	0.7
361.18149	0.6
363.23343	1.5
381.24454	1.1
385.25357	7.0
386.25787	1.3
387.22876	0.5
399.26953	0.6
401.24878	2.6
402.25302	0.5
412.24234	0.5
414.22018	6.5
415.22394	1.0
427.29907	0.6
429.24307	15.1
430.24573	2.0
431.62094	0.5
439.26379	0.7
440.26901	0.8
443.26053	2.4
455.29553	3.4
456.30093	0.8
499.28540	100.0
500.28903	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	499.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58735	6.3
71.20280	12.5
74.37083	5.0
75.07835	5.0
79.15921	5.7
83.01267	8.2
99.00739	7.4
109.02846	8.4
111.00767	9.7
137.02271	8.0
139.00267	9.1
151.00258	20.3
154.99777	6.8
163.00325	6.6
178.54143	6.4
178.99731	16.8
179.24355	6.8
180.00125	6.4
189.01961	6.5
191.03371	13.4
193.01266	10.2
201.01920	6.1
206.99246	9.3
214.02629	8.1
217.01259	8.3
219.02914	19.6
221.00600	7.6
235.02492	8.1
242.02037	12.5
247.02428	16.2
259.02524	13.4
263.01974	9.7
271.02512	40.2
281.03073	9.9
287.01913	23.4
297.02686	8.7
316.02188	90.1
316.99469	7.8
317.02853	26.0
327.01028	8.0
353.01486	11.3
354.02420	18.2
382.95151	6.4
427.08694	18.2
463.08698	100.0
464.09235	12.9
499.09186	7.8
500.08255	35.5
506.01041	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	499.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90603	0.4
57.03054	0.9
57.03321	13.3
59.01255	1.6
61.98697	5.6
71.01254	1.1
71.50143	1.0
72.64732	0.5
73.89613	0.4
75.00748	8.5
81.03329	1.3
83.01265	3.6
85.02800	0.5
85.18458	0.5
89.02304	0.7
95.04902	1.6
96.95901	2.3
101.02353	0.7
105.03340	3.3
109.02843	1.1
121.96725	0.5
125.02335	100.0
126.02666	2.8
133.02853	1.0
137.02344	8.4
137.94475	0.5
141.92218	0.5
149.02367	0.8
149.04434	0.6
151.03899	0.6
160.01636	0.6
161.02347	42.8
162.02806	2.1
165.01794	0.8
166.02654	0.9
175.03966	0.7
177.05475	3.1
179.03503	0.7
199.03902	0.7
201.05540	1.4
219.06573	1.6
225.05540	0.9
229.01279	0.7
243.06618	1.2
255.32295	0.6
269.04538	4.4
286.04535	0.8
287.05621	7.7
293.08734	1.2
295.22672	0.5
305.06595	3.8
329.15991	0.5
331.06088	1.1
361.16791	0.7
478.84839	0.6
499.18127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50150	1.3
73.21963	1.0
76.94830	1.0
85.02821	10.2
87.00761	2.3
93.03345	4.5
94.43370	0.9
109.02859	1.3
111.04373	1.3
115.58855	0.9
125.02358	1.2
127.03944	1.6
139.03917	1.9
165.01834	1.7
169.01373	1.2
173.57848	1.2
174.61562	1.1
191.05547	100.0
192.05879	4.3
219.13164	1.1
245.01067	2.3
273.00458	3.6
331.06619	2.3
436.32742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
61.98701	100.0
68.84823	0.3
70.97639	0.7
71.01282	0.7
73.10195	0.3
74.02377	0.4
89.02306	0.3
89.37430	0.4
92.94168	0.3
96.92451	0.3
96.95896	2.3
99.05529	0.5
101.02363	0.3
109.06419	0.3
125.02332	0.7
128.03439	1.3
143.04510	1.5
169.01324	0.4
171.10179	0.8
179.04559	0.4
180.48570	0.3
181.06187	0.3
183.13805	1.7
207.10225	0.7
209.11691	0.4
210.08813	0.4
211.13388	0.5
225.11232	0.6
228.10001	0.3
244.06750	0.3
254.07838	0.5
272.09015	0.5
274.46085	0.3
306.07697	0.8
330.94635	0.3
376.33063	0.3
378.00793	0.4
450.77118	0.4
498.09686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16329	2.2
57.03335	11.7
59.01255	3.3
61.98384	3.6
61.98703	58.4
65.00202	2.2
70.36603	7.5
75.06960	1.7
81.03323	4.7
82.67960	2.0
83.01245	6.9
93.03330	2.9
95.01262	5.1
95.04912	3.6
97.02822	2.6
99.00751	7.8
105.03336	5.5
107.01211	2.5
109.02827	13.5
111.00755	7.6
117.03333	3.6
118.96300	1.9
119.04935	2.2
121.02809	3.7
123.00757	13.2
123.04405	3.1
124.01592	4.4
125.02342	100.0
125.03268	4.8
126.02670	4.3
133.02829	3.2
133.06441	2.3
134.03650	19.0
137.02342	29.8
139.00262	8.9
139.03880	6.3
140.01080	2.1
141.01819	14.1
143.04901	4.2
145.02907	3.8
145.06459	5.8
147.04402	5.3
149.02275	3.5
150.03160	11.3
151.00311	14.7
151.03928	16.0
152.01118	2.2
153.01855	27.1
157.06467	2.4
159.04422	2.7
160.01543	6.9
161.02351	23.1
162.02791	2.3
163.03911	2.9
163.07564	2.9
164.00986	2.9
165.01884	9.2
165.05441	3.5
167.03407	11.2
169.01331	2.9
171.04372	8.1
173.05989	2.6
174.03133	15.1
175.03909	27.7
176.01059	5.0
177.01863	35.4
177.05464	4.9
178.02249	4.3
179.03409	2.5
185.05956	3.9
189.01842	7.1
189.05467	5.0
191.03426	7.9
193.01276	2.0
193.05051	11.7
194.02136	4.6
197.05986	5.9
199.03958	33.3
200.04266	3.2
201.01837	11.8
201.05554	3.2
203.03372	3.2
205.01289	2.1
209.04509	14.3
211.03839	3.7
213.05447	5.7
215.03531	3.1
216.04027	2.7
217.05011	50.9
218.05344	4.8
219.02939	6.3
223.03899	3.4
229.05058	3.7
231.06540	3.5
232.03734	7.6
233.04428	4.2
241.05023	23.5
243.02840	4.0
257.04559	4.7
259.06149	10.2
269.04544	2.8
273.07684	5.3
275.05869	2.5
275.09067	2.2
285.04068	6.1
287.05429	2.8
303.05035	13.0
305.06589	9.4
315.01227	2.5
315.08569	2.3
321.06134	23.4
333.02502	3.8
479.08786	3.2
497.09778	33.8
498.10275	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	497.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21450	1.0
57.03318	13.4
59.01255	1.3
61.98688	1.4
63.02266	1.1
65.98246	0.9
69.52805	6.4
70.39000	1.0
71.01256	1.4
72.18853	1.0
72.99179	11.8
83.01252	4.3
93.03268	0.8
95.68281	1.0
105.03329	4.7
107.01231	2.0
109.02818	3.4
111.00761	1.2
117.03379	1.1
119.04921	3.5
121.02837	2.8
123.00753	1.2
124.01569	2.2
125.02330	100.0
126.02630	2.6
133.02852	3.1
133.06364	1.1
135.04404	2.8
137.02339	9.1
147.04424	13.6
149.02328	6.3
151.00278	8.8
152.01030	2.9
153.01782	1.2
161.02345	46.1
162.02725	1.2
163.03886	1.9
166.02574	3.3
169.01314	1.9
171.04425	1.4
173.05975	1.4
175.03893	3.0
177.01855	2.9
177.05508	4.2
178.99788	8.9
183.04407	3.2
189.01852	8.2
190.02571	1.6
191.03423	44.1
191.05156	2.2
192.03748	2.8
193.01353	1.2
197.05951	2.7
199.03961	1.2
201.01843	3.3
201.05487	5.4
203.03403	3.9
204.04204	1.4
205.01373	3.2
209.04494	95.3
210.04761	2.9
213.05507	2.3
217.05006	4.5
218.02048	1.6
218.05241	1.3
219.02898	7.4
219.06517	1.5
225.05560	3.9
227.03444	8.3
229.01353	5.9
231.02824	1.7
232.03719	8.4
233.04434	5.0
234.05313	1.8
241.05051	2.8
243.02907	2.4
243.06676	2.4
244.07076	1.0
245.00800	1.4
245.04478	3.5
250.44656	1.1
251.03517	1.3
259.02411	2.5
260.03259	1.2
269.04544	44.8
270.04865	3.8
271.02417	4.9
286.41467	1.2
287.02325	2.1
287.05582	19.5
288.02811	7.3
288.05612	1.6
289.03363	4.4
315.01517	4.9
330.11334	1.0
331.08069	1.4
332.01630	1.9
333.02393	5.7
341.06403	1.4
350.02838	5.7
351.03537	2.0
359.07651	12.0
360.07785	1.5
371.07474	1.3
435.09653	1.4
453.11777	1.5
479.08606	7.4
487.17395	1.0
497.09558	62.2
498.10168	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	496.255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42249	0.5
61.98698	100.0
66.53370	0.5
71.14830	0.5
71.49352	0.8
84.41850	0.5
87.49054	0.5
96.92455	0.6
102.56626	0.5
105.75034	0.6
117.03324	0.7
119.04946	0.7
145.02850	4.7
150.78596	0.6
163.03976	0.9
166.01286	0.6
171.10222	1.4
183.13828	0.8
184.14084	1.0
209.11742	7.6
210.12109	5.3
211.13336	10.8
212.13669	8.5
227.12871	1.0
228.13078	0.7
250.15170	0.8
288.02820	0.9
317.85092	0.6
360.22617	0.6
403.91571	0.7
433.25983	5.8
473.03226	0.6
497.09360	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	497.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77295	0.4
56.54067	0.4
59.01249	0.9
63.02258	1.3
65.00189	2.1
71.01291	0.6
71.36263	0.8
83.01247	2.1
86.80621	0.4
88.98640	0.6
93.03367	0.5
94.38004	0.4
95.01274	1.0
107.01261	3.0
107.04958	0.4
107.38003	0.4
109.02835	1.9
123.00780	0.9
123.04423	0.6
124.01569	2.3
125.02354	4.0
131.04947	0.5
133.02806	0.6
133.08984	0.4
135.04462	0.6
137.02394	0.7
139.00272	0.9
145.02893	0.6
147.04395	0.7
149.02350	0.8
149.06059	0.5
151.00278	14.8
151.03862	0.4
152.01099	4.5
159.04381	0.6
161.02332	3.8
163.03830	0.5
169.01295	0.8
171.04434	0.8
173.06007	0.8
175.03932	2.9
176.00943	0.5
177.01848	2.5
177.05429	0.5
178.99777	13.8
179.31364	0.5
180.00328	0.4
183.04626	0.5
187.03862	0.7
188.04654	0.9
189.01857	17.7
189.05479	0.6
190.02597	2.9
190.99782	0.5
191.03404	3.2
192.00502	1.1
193.01332	2.3
199.04004	0.9
201.01799	0.5
201.05518	0.6
202.02586	0.6
203.03439	6.3
204.04202	1.9
205.01366	5.3
205.05031	0.9
206.02095	2.5
207.02884	0.5
207.06630	0.8
215.03452	1.4
216.04169	0.7
217.01385	1.6
217.05013	6.9
218.02190	2.6
218.05388	0.6
219.02930	14.9
220.03310	1.2
227.03432	0.6
230.02206	0.8
231.02979	3.5
232.00171	0.8
232.03722	14.0
233.04480	8.0
234.05223	3.0
242.02155	0.5
243.02936	5.3
244.03539	0.5
245.00827	1.6
245.04494	5.0
246.01578	0.9
246.04971	0.5
247.02438	0.7
258.01697	1.1
259.02475	5.4
260.03021	1.6
261.04065	1.0
271.02454	8.0
272.02988	0.9
286.01282	0.9
287.01965	3.5
288.02734	15.3
289.03497	8.6
303.01599	0.6
314.00748	0.7
315.01489	8.8
316.01819	0.9
330.34732	0.4
332.01663	4.0
333.02518	10.1
334.03018	1.2
350.02805	10.2
351.03494	4.4
435.09396	1.2
461.07242	1.5
479.08362	14.3
480.08801	1.4
497.09390	100.0
498.09720	13.9
498.15442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07627	0.3
57.03325	0.3
59.01252	0.5
61.98701	100.0
71.01263	0.4
71.49727	0.4
71.50123	0.4
83.01281	0.4
84.53569	0.3
91.51112	0.3
125.02356	2.2
125.98656	0.3
126.02715	0.6
151.00299	1.2
169.01410	0.6
175.03839	0.4
177.01892	0.4
178.99803	1.0
189.01889	0.9
206.32246	0.3
217.05016	0.5
219.02988	0.6
231.02913	0.3
232.03894	0.4
233.04642	0.5
271.02533	0.4
271.06107	0.4
288.02719	0.8
289.03574	0.5
315.01498	0.5
333.02417	0.5
350.02948	0.5
479.08347	0.6
479.16956	0.3
497.09387	5.9
497.16150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13321	0.3
51.93298	0.3
59.01249	0.5
61.98701	100.0
63.02266	0.4
65.00200	1.3
70.78916	0.9
76.03099	0.3
83.01273	1.3
91.31160	0.3
93.03322	0.5
94.77566	0.3
96.95883	0.4
107.01244	2.4
116.11298	0.3
119.04910	5.3
125.02332	2.0
145.02856	0.7
147.16267	0.3
151.00275	12.1
152.00681	0.6
165.01866	1.3
169.01344	1.4
170.80745	0.3
174.01604	0.3
174.03423	0.4
175.03954	0.4
177.01849	1.2
185.05916	0.5
187.03857	0.4
189.01906	0.8
209.11890	0.3
219.02975	0.8
227.07095	0.4
232.03635	0.4
233.04787	0.3
238.91824	0.3
240.56213	0.3
247.05945	0.3
271.06113	18.1
272.06384	1.7
288.02979	0.3
289.03638	0.4
313.05795	0.9
333.02560	0.5
350.02820	0.3
394.30811	0.3
433.11334	8.1
434.11841	1.1
475.84317	0.3
497.09406	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	496.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.5
65.99725	4.4
67.01762	1.8
69.03313	2.9
71.49474	2.2
76.14478	1.7
79.01768	2.6
81.03315	1.9
93.03329	3.3
95.01266	10.5
96.04402	1.9
97.02830	2.6
105.03365	1.6
107.01263	4.3
107.26272	1.4
109.02842	18.7
111.00758	1.8
112.60290	1.3
112.61090	1.8
118.02885	5.0
120.04404	2.8
121.02928	1.3
123.00784	22.1
124.01623	6.8
125.02345	100.0
126.02687	8.2
127.00236	1.3
134.02367	2.1
137.02354	53.3
138.03102	4.7
139.00296	3.8
139.03854	4.1
140.01054	1.8
145.02826	1.8
146.02402	3.5
148.03978	1.9
149.02350	5.2
151.03888	2.9
161.02354	13.6
162.01837	3.4
163.00346	3.1
163.02707	3.3
164.01109	2.6
164.03461	30.8
165.01880	10.6
166.02599	5.6
166.99788	18.2
167.03360	5.2
168.00555	18.8
169.01349	95.7
170.01704	11.3
171.01793	2.1
172.01875	1.4
173.02370	5.0
175.03905	2.0
176.03447	4.0
176.29211	1.4
177.01888	10.5
177.05409	1.5
179.03406	5.3
181.01332	10.3
188.03474	3.9
190.01385	9.9
191.03442	1.9
193.01274	2.8
197.05991	1.6
199.03990	1.4
200.03427	12.8
201.01970	1.9
201.05525	2.1
204.03062	1.8
205.01418	3.8
206.04517	2.9
208.02472	60.2
209.02834	2.1
213.05513	3.1
218.04617	1.7
221.04485	1.6
228.04047	1.6
229.04898	2.9
231.06583	7.9
232.02423	2.8
258.07596	1.6
259.06161	2.5
269.04529	8.5
271.02325	1.6
273.04132	1.8
273.07599	2.9
282.07864	4.0
285.03967	3.8
287.05566	3.8
299.05417	1.8
300.08612	3.2
304.05981	2.2
305.06628	6.4
306.07037	2.4
308.05655	3.0
310.07111	1.8
317.06754	1.7
326.06772	14.6
331.04620	2.3
340.04587	5.5
344.07745	37.3
345.08017	5.8
352.04684	2.4
370.05615	2.8
452.09827	2.3
456.06909	3.9
478.07880	3.2
496.08926	12.5
511.05228	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	495.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38383	0.5
58.17184	0.5
58.18304	0.5
61.98699	6.3
69.03316	0.9
71.04136	0.8
71.04475	1.1
83.04898	0.7
97.06444	0.7
102.59731	0.5
111.08051	1.1
145.02838	0.6
146.57333	0.6
153.22981	0.6
165.12764	10.9
167.14241	0.7
183.13828	100.0
184.14169	6.1
190.87177	0.5
193.12263	2.2
209.11758	6.1
211.13338	75.2
212.13583	3.4
227.12830	7.0
233.04353	0.7
283.15439	1.2
297.11523	0.9
299.61594	0.6
301.16534	6.0
310.86438	0.6
377.26996	2.2
450.94693	0.6
451.30307	0.9
495.22998	0.8
495.29623	12.8
496.30005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86121	0.4
58.00458	1.0
59.01249	16.1
61.98704	3.3
62.89985	0.4
69.52281	2.9
71.01252	11.0
72.99185	1.0
80.04935	1.1
83.01240	1.1
85.02808	2.3
87.00755	0.7
89.02318	8.0
95.01250	1.0
98.20551	0.5
99.00722	0.4
101.02319	5.8
107.01450	0.4
108.04434	8.8
109.04726	0.4
111.68037	0.4
113.02339	3.7
119.03389	3.5
120.99584	0.8
121.05221	1.3
122.05994	1.7
125.02351	0.7
135.68962	0.4
136.07574	13.7
137.07869	0.6
138.05501	1.2
147.03131	2.1
148.03937	0.6
151.00296	1.0
162.05516	4.9
166.04984	0.9
178.99725	1.2
188.07106	0.7
194.99402	0.4
197.07095	0.8
198.07887	0.8
200.10643	0.5
202.12228	0.6
205.01355	0.5
212.09514	0.9
213.06656	2.0
214.07080	0.5
215.03300	0.5
216.06619	0.6
217.07280	0.6
217.10719	0.5
227.11790	0.9
228.08818	0.5
229.09801	1.1
233.04567	1.5
237.06796	0.5
238.07420	1.3
241.06186	1.3
242.06860	1.6
243.02925	0.6
243.11369	1.6
246.11325	0.5
253.09769	4.0
254.10411	0.6
255.07787	0.8
255.11418	1.1
256.08481	1.2
259.02673	0.6
270.10089	1.3
271.10870	100.0
272.11160	7.8
287.01862	0.6
352.94388	0.5
408.16840	0.8
433.16119	1.0
451.17255	1.2
495.08194	1.4
495.16208	5.4
496.16437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04753	10.8
57.36070	9.0
59.01255	17.7
61.98706	18.3
62.12703	8.5
65.00197	14.8
70.41982	24.9
99.00741	16.4
107.01270	19.5
109.02835	30.8
111.00748	33.8
111.03388	9.4
120.99554	54.1
121.02869	12.1
123.00727	26.4
125.02317	30.1
133.02844	10.2
137.02316	22.5
137.36432	8.5
139.00212	48.3
147.33400	10.7
149.02316	16.5
151.00302	52.6
152.01038	15.0
152.37689	9.6
153.01840	16.8
154.98666	10.5
154.99719	49.6
161.02341	22.9
161.99342	9.6
163.00275	15.0
165.01846	23.0
166.99792	39.8
173.02362	11.5
175.00462	9.6
177.01826	18.1
178.99773	42.6
181.01419	12.6
187.03912	23.8
189.01857	22.0
191.03490	12.5
193.01382	22.0
194.99220	31.8
203.03445	28.9
205.01271	14.9
215.03378	23.4
217.01166	13.1
218.02187	11.3
219.02811	23.8
219.50983	9.7
231.02922	37.5
233.04488	37.4
243.02933	33.3
245.00780	12.5
247.02451	15.3
248.03143	14.1
249.03940	14.1
257.00897	14.2
259.02478	45.6
261.04126	16.8
271.02475	17.9
275.01965	34.7
285.00351	11.3
287.01938	100.0
289.11975	27.0
300.03018	12.4
301.03436	17.2
303.01416	30.5
304.02246	14.1
305.03018	24.7
315.01425	52.2
331.01010	76.6
337.76938	9.9
348.01062	18.1
349.02026	16.0
359.06122	41.6
421.07715	15.4
449.93594	10.7
477.06790	21.1
495.06970	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.0
63.02256	2.7
65.00185	7.6
67.01750	1.0
68.99686	1.6
69.03329	0.8
69.29594	7.6
72.99171	0.9
79.01749	2.0
80.99679	0.9
83.01250	2.4
85.02822	1.0
87.00739	1.7
95.01259	5.0
96.99205	1.2
99.00756	2.9
106.00477	3.2
107.01257	9.3
109.02812	2.6
109.99986	1.6
111.00756	11.0
119.01278	1.1
120.99218	1.5
121.02840	1.1
123.00764	9.4
124.01550	0.8
124.98685	2.6
125.02337	14.1
125.99509	0.9
127.00249	1.3
131.04916	1.3
133.02809	1.3
134.00012	1.0
135.00760	2.8
136.98677	3.2
137.02325	5.3
139.00253	12.2
140.01045	3.5
141.01781	2.9
145.02852	2.0
147.04369	1.3
148.98636	1.7
149.02344	3.0
149.99472	4.6
151.00261	35.5
152.01006	2.1
153.01848	5.9
154.99763	4.7
159.04425	3.9
161.02321	2.8
163.00279	5.6
163.03870	1.3
164.01070	3.1
164.98198	3.2
165.01880	4.7
165.98962	2.5
166.99756	9.6
167.03429	1.1
168.00571	10.0
169.01350	5.1
171.04362	1.5
173.02313	1.4
174.03119	1.6
175.03900	5.2
176.00960	0.9
176.98117	1.0
177.01863	6.4
177.98987	5.8
178.99767	68.6
180.00305	4.1
181.01398	2.0
181.98383	0.9
185.02301	2.0
187.03903	3.6
189.01849	4.3
190.02621	4.3
190.99794	7.3
191.03346	3.5
192.00540	2.4
193.01292	8.3
194.99248	9.3
195.99791	2.2
197.00838	5.4
199.03915	0.9
201.01894	2.4
202.02582	1.0
203.03403	9.7
204.03918	0.9
204.97678	2.9
205.01303	6.3
205.04991	2.0
205.98392	1.2
206.02156	2.6
206.99278	4.5
207.02890	2.3
207.99942	2.2
209.00841	1.6
213.01862	3.4
214.02681	1.0
215.03499	4.7
217.01364	4.7
218.02101	1.4
219.02921	5.5
221.00821	3.3
222.01593	2.2
222.98784	7.5
223.02353	1.1
229.01320	3.6
230.01971	2.3
230.99280	1.3
231.02908	9.1
231.99895	0.9
232.03705	1.7
233.00839	2.2
233.04546	8.1
235.02402	2.6
241.01331	4.0
243.02943	5.2
245.00804	4.8
246.01590	2.6
247.02477	4.7
248.03189	9.1
249.00330	1.0
249.03972	3.6
257.00842	2.5
258.01489	2.5
259.02441	13.8
260.02982	1.6
261.00403	14.5
261.03613	1.8
262.01059	2.5
263.01880	3.0
269.00812	1.0
271.02213	1.0
274.01157	1.4
275.01910	3.9
276.02643	2.4
277.03558	5.5
285.00375	2.7
286.01184	2.3
287.01932	28.5
288.02362	1.7
291.01437	1.7
297.06049	1.5
302.00745	3.1
303.01440	23.4
304.02130	8.8
305.02969	6.3
312.99915	8.3
314.00455	1.1
315.01480	3.6
315.07202	1.9
316.02151	1.3
320.01587	1.4
321.02481	1.4
330.00012	2.0
331.00906	100.0
332.01367	9.0
333.02591	1.1
343.06604	10.4
344.07233	3.0
348.01099	10.4
349.01935	9.9
350.02271	1.3
353.05139	1.9
355.06628	10.5
369.08075	1.8
395.09717	2.2
407.05969	1.3
423.09216	1.6
451.08740	5.5
467.07883	1.7
477.06836	9.1
478.07162	2.0
495.07730	36.7
496.08154	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	494.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65883	0.5
61.98703	100.0
66.90910	0.6
69.16738	5.2
69.17157	1.7
82.04131	0.6
85.44182	0.7
95.01226	0.7
95.49089	0.7
145.02917	2.2
183.13860	4.3
209.11841	1.5
211.13332	6.6
212.13730	1.4
274.12936	0.6
324.94385	0.8
341.12814	0.7
431.24536	1.9
494.38919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0778
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
59.01243	1.3
64.66363	0.6
65.00203	2.0
67.01764	0.8
70.24889	0.7
71.01258	1.0
81.55512	0.6
94.40336	0.7
95.01259	2.2
107.01268	2.2
109.02876	0.8
109.99987	8.5
111.00759	6.2
123.00764	3.9
124.01571	3.0
124.98722	1.0
125.02328	3.0
125.99395	0.6
133.02844	0.9
135.00783	1.5
136.98711	2.7
137.02335	1.3
137.99496	3.0
139.00255	12.2
140.01024	1.5
143.04909	1.1
151.00267	9.8
152.01105	4.7
153.01810	1.5
159.04391	1.2
161.02350	1.8
163.00267	3.2
163.03987	0.8
164.01041	1.5
165.01828	2.1
165.99004	10.3
166.99765	5.4
171.04466	1.1
174.03067	0.8
175.03908	1.9
176.04541	0.9
177.01836	2.8
178.99768	11.1
180.00330	1.5
181.01343	0.8
187.03940	3.6
189.01851	2.1
190.02623	1.7
190.99776	1.5
191.03409	1.4
192.00616	1.8
193.01276	1.2
193.98518	0.9
194.99286	1.7
197.02406	1.0
199.03917	1.3
201.01819	1.2
202.02679	0.9
203.03464	6.5
204.03995	1.1
205.01375	2.7
206.99274	1.6
208.00046	1.3
213.01859	1.9
214.02667	1.2
215.03378	4.7
217.01344	2.2
218.02097	1.7
219.02959	3.1
220.00136	0.7
220.03763	0.7
221.00835	1.0
227.03365	1.1
229.01353	2.3
230.02170	3.4
231.03001	5.4
232.03601	2.7
233.04472	1.0
241.01451	2.0
242.02078	2.4
243.02939	9.2
245.00844	1.5
246.01646	1.1
247.02390	2.5
248.03069	1.1
257.00885	0.8
258.01666	4.7
259.02435	6.9
260.03149	2.3
261.03925	0.7
269.00827	2.3
271.02487	6.5
272.02899	1.0
272.52679	0.7
275.01868	1.4
276.02518	0.8
286.01178	7.8
287.01962	34.4
288.02585	7.0
289.03308	1.8
297.00171	0.8
303.01447	6.1
304.02234	4.3
305.02759	1.1
314.00870	1.3
315.01450	47.7
316.01727	6.7
331.00949	1.9
332.01700	100.0
333.02393	27.9
334.02820	1.6
343.06677	1.9
375.55557	0.7
451.08670	1.4
477.06976	3.1
495.07773	94.4
496.08060	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	494.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
98.19717	0.9
117.03394	0.7
119.04940	1.1
121.89914	0.6
145.02841	6.1
163.03996	0.9
255.99265	0.7
372.15677	0.6
431.24274	5.1
432.24066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.2
59.01243	1.4
60.08752	0.4
61.98735	0.5
71.01252	1.0
71.49300	0.4
74.69020	0.4
80.69141	0.3
81.03363	0.9
83.01251	4.4
89.60268	0.4
95.01232	0.5
101.02322	0.6
107.01259	1.0
109.02831	0.7
121.02822	0.8
123.04395	1.9
125.02332	100.0
126.02659	3.6
127.29165	0.4
133.08997	0.4
135.04410	26.3
136.04745	1.0
137.02344	1.0
139.03851	0.6
149.01242	0.7
149.02342	8.8
151.00255	3.5
161.02341	0.5
161.05894	0.4
163.00282	0.4
163.03955	0.7
167.03412	6.9
169.01314	0.9
175.00316	0.6
175.03952	0.4
178.99782	1.6
179.03403	1.0
191.03448	3.2
203.03493	0.7
205.04994	4.6
209.04488	1.4
231.02832	0.5
233.04559	0.8
259.02383	1.3
271.02469	0.7
275.02020	1.7
287.02054	3.9
303.01474	0.7
312.99738	0.5
313.07211	0.9
315.01416	6.4
316.02090	2.2
317.03049	1.4
330.03854	4.2
331.00983	1.0
331.04575	3.0
331.08173	24.1
332.08401	2.9
347.00330	0.5
355.08304	2.9
371.09735	0.4
397.09323	1.0
433.24118	0.5
493.09811	5.9
494.10025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07264	0.5
57.03322	0.8
59.01250	1.0
61.98702	100.0
69.29410	3.3
69.29833	1.6
74.56509	0.6
83.01281	0.8
93.03345	0.7
95.01258	3.8
102.44259	0.5
109.02840	1.3
111.00774	1.0
115.05453	0.7
117.03383	1.0
120.30522	0.6
121.02887	0.7
123.00793	1.5
125.02340	5.4
131.04977	0.8
132.02057	1.0
133.02866	0.6
134.03621	3.8
137.02322	4.2
139.00310	1.0
139.59282	0.5
141.01877	1.2
143.04935	1.6
145.02867	0.8
147.04405	1.4
148.01604	0.7
149.02402	0.9
151.00267	1.6
153.01884	0.7
156.23134	0.5
157.06503	1.6
159.04494	1.5
160.01567	1.6
161.02402	2.0
163.00346	0.8
163.03920	0.8
165.01880	1.3
167.03467	0.6
169.01358	0.7
171.04556	1.2
173.02470	0.6
173.06017	0.7
175.03966	2.4
177.01878	3.1
178.99835	1.5
185.05974	2.7
187.03983	2.3
189.01889	1.0
190.02672	1.2
191.03439	2.2
193.01369	1.0
193.05020	2.9
197.02402	0.6
199.03923	0.9
201.01909	2.3
201.05594	1.4
203.03465	1.1
211.03993	1.3
213.01866	1.2
213.05557	1.2
214.02693	0.9
215.03429	2.9
217.01425	1.6
227.03441	6.2
228.03947	1.0
229.05043	5.9
231.03006	0.8
231.06970	0.5
233.04524	1.7
239.03575	0.9
243.03130	1.1
255.02983	8.6
256.03650	1.9
257.04544	14.0
267.03162	0.6
275.05682	1.7
283.02484	0.7
284.03284	10.7
285.04050	9.9
286.04492	1.0
287.02048	1.6
288.02316	2.4
301.03552	3.2
305.02951	0.7
305.06726	2.2
319.04605	1.2
329.06506	0.6
431.09839	17.8
432.10291	2.0
451.10471	1.5
495.09027	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	493.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	11.7
58.02843	0.3
59.01245	0.8
61.98697	0.8
65.00192	0.2
71.01262	0.7
71.49449	0.3
75.00757	0.2
77.57170	0.2
81.03337	0.3
83.01263	0.6
83.15459	0.2
85.02812	0.3
89.02349	0.3
96.72961	0.2
101.10975	0.2
113.02344	0.3
120.01189	0.2
123.04409	0.5
125.02329	100.0
126.02673	3.7
135.04405	4.8
137.02316	0.7
151.00233	1.4
152.01035	0.4
161.02339	0.5
161.04457	0.3
164.41324	0.2
169.01289	0.6
177.05560	0.3
178.99745	1.3
199.03894	0.3
201.01762	0.3
203.03235	0.3
205.05057	0.6
206.08194	0.7
215.03366	0.4
229.01372	0.3
243.02933	0.5
258.01443	0.3
259.02451	0.8
268.81137	0.2
270.01517	0.3
271.02490	0.4
275.02023	0.5
285.04013	0.3
286.01245	0.3
286.04575	0.3
287.01938	1.9
287.05231	0.4
301.03607	0.3
302.04135	0.3
305.06534	0.4
313.03519	0.3
315.01382	0.8
316.02240	3.7
317.02792	0.8
330.03757	1.3
331.00900	0.2
331.04572	4.1
331.08105	0.5
331.15405	0.4
332.05029	0.3
367.10333	1.2
373.11197	0.2
493.09634	1.8
493.13416	4.0
494.14920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0988
Annotation	Hibiscetin 8-methyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
59.01241	5.3
61.98699	2.9
65.00189	2.4
69.64835	2.7
69.65248	3.9
71.01254	2.8
72.99179	2.0
83.01248	1.8
85.02811	2.2
89.02298	2.4
95.01215	2.6
99.00755	1.7
101.02326	1.5
101.72644	1.1
107.01272	2.9
109.02848	1.2
109.99966	4.6
111.00761	4.9
111.51266	1.2
113.02321	1.1
123.00758	4.3
124.01524	4.2
125.02348	8.4
135.00751	1.7
135.04428	1.5
136.98810	1.5
137.02345	2.3
137.99469	2.2
139.00279	9.1
139.03908	3.2
151.00285	15.0
152.01045	6.8
153.01805	3.2
161.02376	2.1
163.00261	5.6
164.01067	2.6
165.01900	1.8
165.99010	6.5
166.99716	4.8
169.01352	3.2
174.03200	2.0
177.01842	3.4
178.99777	18.8
179.03387	1.8
180.00415	2.5
186.03062	1.6
187.03914	3.7
189.01794	2.3
190.99829	1.3
191.03514	1.5
193.01289	2.3
194.99237	2.1
201.01878	2.9
202.02618	3.7
203.03485	5.1
205.01360	2.4
206.02101	2.3
206.99309	1.8
207.02969	1.3
213.01898	2.6
214.02628	3.1
215.03394	2.8
217.01402	3.7
218.02039	1.4
219.02963	3.4
227.03287	1.1
229.01382	3.7
230.02121	5.1
231.03014	5.6
232.03539	1.7
233.00809	1.6
234.01732	1.5
241.01361	3.9
242.02115	3.6
243.03011	3.5
245.00893	2.6
245.04591	1.2
246.01675	1.9
247.02368	4.1
252.89804	1.1
257.00931	5.1
258.01685	11.4
259.02417	10.7
260.03101	1.9
260.36395	1.2
269.00800	1.5
270.01675	3.9
271.02362	3.7
273.04102	1.9
274.01114	1.7
275.01886	7.0
285.00769	2.1
285.03992	2.5
286.01187	9.7
287.01978	18.7
288.02652	4.3
290.04227	1.4
300.02783	1.6
301.03516	12.0
302.00787	2.0
302.04138	3.0
303.01425	10.7
303.05069	8.6
304.01971	1.6
304.05350	1.5
305.03113	1.8
314.00726	6.4
315.01447	22.3
315.04852	2.0
316.02078	5.1
317.02982	5.3
317.65729	1.1
318.03619	6.5
319.04239	2.2
328.02231	1.6
328.99500	1.9
329.02997	37.2
329.06931	2.4
330.03381	4.4
331.00995	19.5
331.04654	1.5
332.01709	9.5
345.02524	1.5
346.03256	51.5
347.04025	68.4
348.04410	5.2
378.86340	1.1
461.07343	3.1
462.07510	2.6
475.08661	2.7
493.09869	100.0
494.10364	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	493.0986
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.89890	0.9
56.64363	1.0
59.01245	1.8
65.00180	1.5
65.68727	0.9
71.01239	1.6
71.28842	1.5
71.29187	1.2
107.01250	3.8
123.00755	1.6
125.02329	1.8
135.00822	1.4
151.00272	13.6
159.04434	1.6
163.00273	4.1
165.98793	0.9
169.01254	1.7
171.04561	1.7
175.03915	1.0
178.99776	6.8
185.02388	1.3
187.03938	3.3
189.01874	1.5
191.03510	1.5
193.01355	1.2
194.99367	1.2
199.03940	3.5
201.01874	1.4
203.03438	10.7
214.02765	1.1
215.03404	8.3
217.01358	2.1
217.49820	0.9
227.03448	1.3
231.02968	8.8
232.03377	1.1
241.01410	1.3
242.02161	2.5
243.02937	11.6
257.01129	1.6
258.01642	1.7
259.02463	23.5
260.02676	1.4
269.00836	1.1
270.01605	1.9
271.02429	24.4
271.05084	1.8
272.02896	1.8
275.01791	4.9
285.00760	1.3
285.04138	3.2
286.01233	3.3
287.01953	40.9
288.02466	3.8
301.03452	5.3
303.01477	2.7
312.99918	1.6
315.01456	72.6
316.02069	16.2
317.02887	3.7
330.03787	98.8
331.04489	48.1
332.05023	3.1
346.03769	1.0
347.00519	1.7
431.53879	1.1
493.09885	100.0
494.10434	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3739
Annotation	Sipholenol G
Peak:m/z	Relative Intensity
52.59327	0.3
57.03057	0.5
57.03320	7.3
59.01255	0.3
68.04172	0.2
71.48460	0.2
71.48819	0.3
87.04394	0.8
93.39863	0.2
100.30465	0.2
188.17784	0.2
255.23273	0.6
374.67361	0.2
392.68777	0.3
415.32404	0.3
431.35382	0.5
433.33157	3.3
434.33847	0.5
447.30139	0.3
473.36118	0.6
491.37384	100.0
492.37729	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3741
Annotation	Sipholenol G
Peak:m/z	Relative Intensity
57.03314	0.6
59.01242	0.4
61.98701	0.3
69.89348	0.9
71.01265	0.2
71.04890	0.5
81.06986	0.2
83.04888	0.4
85.02853	0.2
87.04375	1.3
91.58018	0.1
98.20574	0.2
101.05959	0.6
104.20087	0.1
105.58261	0.1
106.92937	0.2
113.05945	0.3
115.07504	0.2
119.04931	0.5
145.02840	0.3
157.91072	0.2
221.53510	0.1
295.09668	0.2
313.25256	0.3
321.18600	0.2
329.28760	0.3
373.27444	2.1
374.27921	0.4
385.31268	0.2
391.07495	0.2
403.32202	0.6
431.31635	0.2
453.22757	0.3
473.36212	0.6
475.34244	0.5
489.35919	0.5
491.37424	100.0
492.37772	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	493.054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82038	1.2
57.03302	1.9
58.29600	1.1
69.03318	1.5
70.76620	1.0
75.80334	1.0
78.44974	1.2
81.03337	1.6
96.10210	1.2
97.02809	2.3
107.01275	1.6
115.69649	1.2
125.02335	73.8
126.02672	2.9
129.30913	1.2
137.02333	2.4
161.02306	5.0
165.01810	1.5
167.03363	1.7
169.01335	100.0
170.01663	3.7
179.03366	1.4
189.93439	1.3
193.01335	1.9
259.88165	1.1
287.05658	2.2
305.06549	3.6
457.07642	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	491.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93695	0.3
52.06934	0.2
56.03766	0.2
59.01245	1.7
61.98695	0.3
71.01257	2.0
73.02810	0.7
81.92428	0.2
83.01258	0.3
85.02810	0.9
88.53338	0.2
89.02317	0.3
98.19958	1.0
101.02313	1.0
108.02042	0.7
108.03271	0.2
109.02789	0.3
113.02297	0.3
115.03850	0.3
119.04916	4.0
121.02855	2.1
122.03634	3.0
123.00750	0.3
124.01558	0.4
125.02354	0.5
135.04411	18.2
136.04736	0.8
137.02335	0.9
149.05969	0.4
154.02580	0.6
161.04483	0.4
169.01357	0.3
191.22249	0.2
193.04967	0.5
193.08604	2.7
203.59584	0.2
207.10188	0.7
210.01106	0.2
297.14777	0.3
314.15173	2.8
327.15918	0.3
329.17554	100.0
330.17920	11.9
373.26062	0.4
465.15732	0.3
491.15250	0.3
491.21777	0.3
491.28299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07085	0.1
55.01760	0.3
57.09827	0.1
58.00455	0.2
59.01247	4.4
70.94138	0.1
71.01253	3.4
71.49391	0.2
72.99184	0.3
73.02816	1.1
77.32362	0.1
83.01248	0.5
84.25628	0.1
85.02818	1.0
85.99960	0.1
87.00748	0.6
89.02317	2.9
91.03893	0.2
95.01234	0.2
97.02843	0.2
99.00769	0.3
101.02327	3.3
103.03855	0.2
113.02343	1.8
119.03415	0.7
125.02309	0.3
132.34277	0.1
133.04968	0.4
143.03412	0.5
144.42519	0.1
145.02869	0.1
157.04915	0.1
161.04471	1.2
179.05539	0.4
235.08202	1.4
237.22067	0.3
241.76512	0.1
253.09277	12.2
254.09625	0.6
255.23267	100.0
256.23618	8.3
340.91742	0.1
463.29047	0.1
491.27451	0.5
491.37137	1.2
492.37872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.0
61.98683	0.3
71.01243	1.7
71.21181	0.5
72.99172	0.3
73.02834	0.4
74.11167	0.3
85.02813	0.7
89.02315	0.5
93.03381	0.4
99.57788	0.3
101.02335	0.8
108.02069	0.5
113.02350	0.6
119.04919	3.5
121.02827	1.9
122.03625	2.9
124.01550	0.3
125.02337	0.6
135.04413	17.7
136.04721	0.7
137.02328	0.7
149.05974	0.5
161.04515	0.4
169.01355	0.6
192.07791	0.3
193.08607	2.1
197.05949	0.3
207.10219	0.8
211.12970	0.3
287.60562	0.3
297.15002	0.5
314.15265	2.5
315.15637	0.3
329.17554	100.0
330.17905	11.9
373.25763	0.6
390.58331	0.3
491.22308	0.6
491.28262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83916	0.7
55.01744	0.7
58.00457	3.3
59.01248	60.6
61.98704	1.1
69.03313	1.4
70.26998	2.6
71.01250	57.3
72.01600	1.2
72.99184	2.8
73.02816	14.0
74.47991	0.9
81.03372	1.0
83.01285	0.9
85.02816	6.3
87.00740	2.8
89.02314	100.0
90.02646	1.7
95.01273	1.6
97.02820	3.6
97.05872	1.1
97.06458	7.2
99.00758	28.4
99.08039	2.3
100.01096	1.0
101.02322	38.7
102.02673	0.7
113.02322	8.9
115.03880	1.5
117.01863	0.7
119.03368	2.3
122.03648	1.1
125.02335	20.8
131.03397	17.9
134.84137	0.8
135.04393	0.9
137.09605	1.3
143.03380	2.9
143.04410	0.9
149.04459	54.2
150.04793	1.5
151.00301	0.9
153.12752	62.9
154.13087	3.7
161.04478	2.8
169.01291	1.6
179.10687	20.1
179.34879	0.8
180.11110	1.6
181.12270	2.1
191.05521	14.2
192.05873	0.9
197.11763	52.2
198.12088	3.4
209.11673	1.3
221.06665	2.0
233.06624	8.9
251.07777	1.6
251.12750	1.0
255.02718	0.9
255.84883	0.8
256.03354	1.1
257.03485	1.5
269.17526	1.0
271.02505	2.7
272.02759	2.0
273.03116	2.6
293.08807	13.3
300.02753	3.5
301.03305	4.2
302.03354	6.6
303.04019	2.7
311.09802	0.8
317.02988	0.8
329.10617	1.5
373.25897	1.7
375.27371	1.8
401.12668	1.1
491.10641	5.5
491.27216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.3
61.98695	0.3
65.10033	0.2
67.46291	0.2
70.78114	0.8
71.01253	1.9
73.02818	0.4
83.01235	0.3
85.02809	0.8
88.17234	0.2
89.02305	0.6
93.03326	0.4
99.00764	0.4
99.16991	0.3
101.02315	0.9
108.02049	1.0
109.02859	0.3
113.02309	0.5
117.11199	0.2
119.04907	4.2
121.02834	2.0
122.03633	2.8
124.01574	0.3
125.02332	0.7
135.04410	19.3
136.04764	0.8
137.02319	1.1
149.05893	0.6
150.11063	0.3
152.26225	0.2
154.02641	0.5
161.04462	0.5
191.05557	0.4
193.05022	0.4
193.08655	2.8
206.09488	0.3
207.10193	0.8
225.93645	0.3
314.15265	2.9
315.15872	0.5
327.16183	0.4
329.17557	100.0
330.13895	0.6
330.17886	12.1
373.26019	0.8
491.15833	0.3
491.22498	0.4
491.28958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40325	0.7
58.01760	0.8
59.01251	9.4
61.98694	1.0
71.01228	0.9
77.37837	0.7
79.01770	2.7
96.95976	0.8
97.02824	1.9
98.20596	1.9
101.02347	1.0
121.02837	3.1
132.05594	0.8
143.04518	0.9
165.01796	4.2
169.01357	0.9
171.04388	2.5
178.02679	1.2
183.08076	2.4
183.13849	1.1
183.16594	0.8
198.32645	0.9
199.07745	1.0
225.09258	3.9
225.11118	1.0
227.07097	4.1
241.08598	1.4
269.08182	100.0
270.08505	8.4
293.08340	1.0
311.09171	1.4
431.13391	9.5
491.26563	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	491.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18749	1.3
57.03310	2.0
59.01234	6.0
63.73594	1.2
68.99675	11.5
69.48103	1.4
71.04855	1.5
72.55275	1.2
74.40157	1.4
77.16905	1.4
78.95754	3.7
85.06447	4.1
87.00749	4.7
87.04394	4.1
99.00758	19.4
101.02315	1.8
113.05963	77.5
113.09571	2.9
114.06268	3.3
117.03333	2.0
122.03592	1.8
137.06023	6.9
139.07526	1.7
147.04391	8.1
171.04419	8.0
171.10197	1.5
195.06529	5.8
195.13777	2.7
205.10173	9.9
207.11714	9.3
208.12195	1.4
209.11786	2.2
213.07680	2.7
229.04999	4.5
232.76018	1.3
233.09625	5.1
245.09698	3.3
251.10712	25.6
252.11160	2.0
265.08557	2.2
273.09125	4.8
277.08713	10.0
293.21277	8.9
294.21564	8.5
295.09726	100.0
295.22800	6.5
296.10077	8.5
319.09720	2.1
333.11353	2.7
371.16422	3.9
377.10349	22.3
378.10507	3.6
415.15604	2.6
447.27588	2.3
491.26202	6.9
492.26889	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	489.3584
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
54.58699	0.3
57.03319	0.5
59.01243	1.0
59.48827	0.3
66.92009	0.3
71.01266	1.5
71.49065	0.6
84.53027	0.3
85.02792	0.5
87.04388	6.6
133.72385	0.3
167.07042	1.1
193.05006	0.5
218.05763	0.8
233.08136	5.5
234.08688	0.4
253.21683	1.4
434.81195	0.3
471.34729	0.9
487.34094	0.4
489.35846	100.0
490.36191	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	489.3586
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
57.03303	0.3
59.01244	1.2
78.06525	0.3
87.57615	0.3
98.20579	0.7
229.22066	0.3
268.11081	0.5
269.08255	0.7
329.33829	0.3
363.23154	0.3
371.29382	0.8
489.35855	100.0
490.36172	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	491.1195
Annotation	5,2',3'-Trihydroxy-7,8-dimethoxyflavone 3'-glucoside
Peak:m/z	Relative Intensity
54.16038	0.9
58.37159	1.0
59.01249	9.9
61.98700	8.1
71.01247	4.9
71.49454	1.2
71.49821	1.1
72.99200	1.1
73.02804	1.9
74.10494	0.9
83.01265	1.5
84.48976	1.0
85.02831	3.2
88.36249	1.0
89.02328	2.2
101.02326	4.8
111.00812	1.0
113.02320	1.0
113.75682	1.0
121.02837	2.3
125.02347	5.2
137.02245	1.3
149.02269	1.5
150.03157	1.0
151.00241	2.6
161.02351	2.9
167.01695	0.9
167.03426	1.7
174.03268	1.0
191.03484	1.2
193.01317	1.2
198.03113	2.7
199.03745	1.1
201.01793	1.1
202.02655	2.7
207.53076	0.9
214.02661	1.7
226.02617	10.1
227.03407	6.5
239.07097	1.3
240.07889	2.5
242.02220	3.6
243.02953	12.8
253.01416	2.4
253.08624	2.1
255.03015	1.2
270.01691	10.6
271.02463	22.3
271.05341	0.8
272.02829	2.0
277.17126	1.0
284.03366	1.9
284.10455	4.0
285.04059	22.0
285.11264	2.7
286.04431	1.9
296.10587	2.9
297.11197	2.8
299.01965	19.6
299.12817	4.2
300.02451	2.0
311.12961	3.6
312.02768	1.9
313.03540	39.8
314.04221	8.7
315.05109	1.6
316.02209	3.9
317.02756	1.3
325.11023	0.9
327.04971	1.6
328.02371	1.5
328.05829	8.9
329.06641	6.0
343.04547	4.4
446.15936	2.5
447.17059	1.3
458.15613	3.0
461.07330	24.6
461.17935	24.5
462.07620	2.3
462.18646	2.7
473.18167	19.5
473.24490	1.8
474.18369	2.5
476.09610	18.4
477.09995	2.8
491.11960	100.0
492.12357	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	489.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.5
71.26267	0.6
84.39211	0.3
86.93538	0.3
94.35385	0.3
106.69358	0.4
107.01283	0.8
108.02030	0.9
109.02818	0.6
111.21510	0.3
135.00774	0.6
135.22067	0.4
148.01555	1.0
151.00253	2.7
160.39052	0.4
163.00339	0.7
164.01077	0.5
178.99777	2.2
183.91629	0.4
199.03865	1.1
211.03876	0.6
215.03450	0.5
216.04269	0.4
226.02693	0.6
227.03516	1.7
243.02992	7.2
244.03429	0.7
254.02188	1.7
255.02983	20.8
256.03394	2.1
271.02472	49.3
272.02911	4.9
276.12381	0.4
299.01981	7.8
300.02740	100.0
301.03235	16.1
302.03873	0.6
429.08170	0.5
447.09384	1.2
468.62622	0.4
489.10373	34.5
490.10620	5.2
501.94315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	11.8
59.01244	2.8
61.98701	13.0
69.11845	0.7
71.01263	1.7
71.13290	1.4
81.03326	1.8
83.01268	3.1
85.02809	0.9
87.04379	3.8
89.02286	1.0
93.03342	0.7
93.21494	0.6
95.04902	1.7
101.02307	1.1
105.03342	4.4
105.05350	0.6
109.02812	1.0
111.04409	0.8
121.02853	14.0
123.00800	0.7
125.02336	100.0
126.02678	3.9
133.02887	0.8
136.01573	10.0
137.02325	6.1
139.03908	1.1
139.11180	0.9
143.60699	0.8
149.02301	0.9
151.03917	13.4
161.02357	42.3
162.02785	2.7
165.01906	1.7
166.02676	0.8
167.03377	2.3
175.03973	1.4
177.05519	3.9
179.03424	0.8
183.65643	0.7
201.05464	2.0
201.11272	5.8
216.81166	0.7
219.06514	2.1
225.05644	0.9
227.03506	0.9
229.01463	0.8
237.07751	1.9
243.06644	1.6
269.04587	4.4
286.04614	0.9
287.05609	13.1
288.06027	0.8
305.06650	7.7
312.09851	0.8
327.12381	18.5
328.12637	2.1
439.68381	0.7
489.11581	0.8
490.09601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65720	0.2
59.01240	0.5
63.02269	0.4
65.00182	0.9
71.04526	0.2
71.04852	0.2
83.01260	0.5
107.01266	1.2
108.02048	1.1
109.02836	0.7
121.02854	0.8
124.01514	0.3
125.02277	0.5
135.00764	0.6
148.01544	1.5
149.02290	0.2
151.00262	5.2
163.00293	1.3
164.00986	0.6
169.01308	0.3
178.99774	3.2
183.04417	0.4
187.03902	0.4
190.99762	0.4
192.00505	0.5
198.03014	0.3
199.03856	1.3
201.01877	0.2
201.05510	0.2
203.03403	0.4
211.03958	0.8
215.03499	0.3
216.04178	0.4
226.02693	1.0
227.03448	2.3
228.03918	0.3
229.05081	0.5
232.47061	0.2
239.03526	0.2
243.02940	8.2
244.03459	0.8
245.04485	0.7
254.02148	1.6
255.02959	22.8
256.03311	2.1
258.56088	0.2
266.29520	0.2
271.02463	48.0
272.02856	5.3
273.03879	0.5
283.02417	0.8
299.02060	1.8
300.02725	100.0
301.03366	25.2
302.03845	1.7
355.28708	0.2
387.25131	0.2
429.08163	2.3
430.08484	0.3
432.28949	0.2
447.09180	1.2
448.09653	0.3
489.10364	49.3
490.10730	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	488.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01246	0.5
61.98703	100.0
62.93063	0.2
62.98413	0.3
63.70117	0.3
69.31657	0.3
69.62686	1.9
93.51994	0.3
98.20492	0.4
106.06482	0.3
121.57944	0.3
125.02341	3.2
137.02393	0.9
161.02354	1.3
191.92157	0.3
194.15010	0.3
204.76945	0.3
287.05627	0.8
305.06671	0.5
498.74890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
59.01250	0.8
61.98702	100.0
71.49407	0.4
78.12348	0.3
99.00773	0.4
121.02854	1.6
125.02342	4.5
136.01578	1.1
137.02301	0.4
151.03906	1.7
152.99541	0.3
161.02374	1.5
169.01360	0.5
244.65068	0.3
254.40021	0.3
271.02603	0.5
285.04053	0.4
287.05627	0.7
299.02109	0.4
315.01556	0.4
327.12390	2.7
355.06961	0.4
356.07550	0.4
488.08774	0.4
502.71793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.6
57.03297	2.8
57.37722	1.8
58.68768	2.0
59.01244	2.0
59.12749	1.7
65.00184	1.9
67.01768	2.0
69.03304	3.9
69.94244	10.3
71.01266	2.4
81.03320	2.5
83.01248	9.1
85.02825	7.1
93.03361	2.0
95.01258	10.5
97.02827	2.3
99.00709	2.3
107.01275	2.2
109.02831	6.1
111.00754	37.3
113.02325	10.2
119.04865	2.7
123.00748	6.3
124.01534	3.0
125.02326	100.0
126.02660	4.7
127.00253	4.9
135.04387	4.2
137.02347	14.0
139.00261	46.5
139.03828	3.3
140.00943	2.1
141.01784	7.9
145.02834	4.4
147.04446	3.2
149.02350	5.1
151.00224	2.4
151.03929	3.2
153.01817	11.2
154.99753	15.3
157.01326	19.9
159.04402	3.1
160.27498	1.7
161.02364	10.9
162.03065	4.0
163.03896	4.8
164.00986	1.9
165.01793	10.2
166.02597	2.9
166.99774	8.4
167.03409	5.1
169.01331	69.8
169.02782	4.2
170.01668	4.6
171.04303	1.9
175.03891	3.6
176.01004	4.1
177.01855	12.7
177.05388	4.0
182.99249	6.2
183.04362	3.4
185.00763	2.7
187.03882	5.5
189.05475	2.3
190.02666	2.8
191.03375	9.4
193.01347	5.7
201.00290	10.8
201.05530	2.8
203.03383	5.1
205.04932	3.5
211.03914	3.5
213.05533	2.8
215.03493	5.3
217.01270	3.1
227.03474	2.3
229.04988	3.3
231.02985	5.1
233.04459	8.2
239.03381	2.4
257.04544	6.1
258.05109	3.1
269.04483	6.6
273.03992	2.2
282.94882	1.8
291.18161	1.8
301.03534	8.3
305.06549	5.2
319.04544	11.9
337.05673	8.5
452.85977	2.1
458.01291	2.0
489.06534	2.8
489.19427	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	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.39460	0.5
59.01222	0.7
60.99178	0.7
62.19015	0.5
70.78076	0.5
71.01237	2.2
71.04936	0.6
71.49476	1.0
72.47195	0.5
87.04380	5.0
244.63202	0.6
321.67639	0.7
415.32153	4.3
441.33804	6.9
442.34018	1.4
443.35330	4.2
457.33267	0.9
459.34598	3.0
464.24585	0.6
487.34296	100.0
488.34613	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	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.10119	0.3
51.37509	0.2
51.52831	0.3
59.01232	0.6
69.12749	0.6
69.13153	2.6
85.89457	0.3
98.20552	0.7
108.82186	0.3
135.31712	0.2
320.77249	0.3
381.26865	0.3
387.16068	0.7
441.33676	0.7
443.18448	0.4
469.33041	3.7
470.33813	0.9
487.34271	100.0
488.34637	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	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.62894	0.1
56.28969	0.1
69.39342	0.3
69.39764	0.5
73.02789	0.1
80.34773	0.1
182.24147	0.1
194.89999	0.1
204.95998	0.1
236.25189	0.1
263.63306	0.1
363.26926	0.1
377.28708	0.2
379.29965	0.4
380.30356	0.1
385.98325	0.1
389.28568	0.1
391.30008	0.3
393.31662	0.2
403.29922	0.1
409.31171	1.4
410.31491	0.3
421.31027	0.6
487.34265	100.0
488.34622	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	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46101	0.3
53.01841	0.3
59.01244	0.5
61.98743	0.4
71.09297	0.3
71.48952	0.4
79.44543	0.3
81.70310	0.3
100.20347	0.3
141.84538	0.3
186.69240	0.3
219.03247	0.3
341.75470	0.3
440.41312	0.3
487.34280	100.0
488.34610	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	487.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28074	0.3
59.01234	1.3
63.05203	0.3
63.30017	0.3
71.01251	1.8
71.11572	0.3
71.11881	0.5
83.01241	0.5
85.02800	1.0
89.02287	0.9
93.03331	0.4
93.76436	0.3
99.00752	0.4
101.02326	0.8
111.00753	0.6
113.02333	1.3
117.03352	0.5
119.04911	100.0
120.05249	4.6
125.02336	1.3
137.02296	0.4
138.57903	0.3
143.03445	0.7
145.02841	0.5
161.04446	0.9
163.03912	70.1
164.04256	3.0
169.01408	0.5
177.01761	0.5
179.05486	0.7
323.09882	3.9
487.14569	11.0
488.15079	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	487.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07935	0.6
57.03059	0.7
57.03324	13.3
59.01241	1.7
61.98706	1.0
69.22615	2.1
69.23040	3.3
71.01271	0.7
81.03338	1.4
83.01261	4.1
93.03355	1.0
95.04906	1.4
96.95876	1.6
105.03343	4.6
108.12988	0.5
109.02876	1.2
125.02333	100.0
126.02656	3.9
129.44054	0.5
132.02060	1.5
133.02878	1.4
137.02339	9.4
143.04512	0.7
149.02364	1.3
155.10782	0.6
161.02345	43.9
162.02734	2.1
166.02612	1.6
167.03412	1.1
169.01357	0.5
177.05496	3.7
183.02931	2.7
197.06044	0.6
199.03795	0.7
199.09702	0.7
201.05510	1.9
217.04976	0.7
219.06691	1.2
225.05403	1.3
227.03439	0.9
229.01273	0.8
238.20247	0.5
243.06677	1.4
269.04565	4.7
286.04459	0.9
287.05594	9.8
288.05960	0.5
305.06683	1.4
331.11945	2.1
335.04279	0.6
343.11859	0.9
349.12958	1.7
469.15302	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.6
59.01227	1.2
61.98700	14.1
67.86791	0.3
71.01237	0.4
74.43932	0.3
83.01248	0.3
96.95900	1.7
101.02338	0.4
125.02349	3.2
128.44418	0.4
130.50259	0.3
137.02344	0.6
160.05113	0.5
161.02336	1.6
164.62807	0.3
166.16495	0.3
209.11780	0.6
211.07550	0.8
213.05379	0.6
224.04768	0.4
225.05460	1.5
227.06949	0.4
235.07596	0.6
238.06230	0.6
239.07068	5.1
240.07765	1.4
241.08617	1.4
243.02916	0.4
243.06573	0.6
253.08664	22.5
254.09297	3.2
256.07336	1.6
267.10242	0.9
268.07382	0.5
269.08127	0.8
281.08145	1.2
281.11810	0.4
286.08420	1.1
288.06494	0.4
291.10104	0.5
309.11230	3.7
309.84430	0.3
310.12091	43.9
311.12473	5.7
325.14435	100.0
326.14780	11.9
471.19424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19710	0.2
59.01253	0.5
61.98700	100.0
69.44550	1.6
70.87749	0.2
81.42101	0.2
86.87664	0.2
99.30345	0.2
100.20722	0.2
125.02351	1.1
152.94002	0.3
161.02332	0.4
209.11873	0.5
216.51898	0.2
239.07143	0.8
239.09331	0.2
241.08734	0.3
244.55956	0.2
247.58598	0.2
253.08652	4.1
254.09695	0.2
281.08398	0.3
286.08591	0.3
309.11475	0.8
310.09030	0.2
310.12097	9.1
325.14426	20.0
365.62970	0.4
395.82401	0.2
461.68704	0.3
462.19272	0.3
470.69376	0.8
471.19373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11001	0.3
52.44590	0.4
57.03327	4.5
57.48895	0.3
59.01250	0.6
64.41260	0.3
65.00185	0.4
67.01797	0.4
69.03330	1.2
69.29481	1.0
69.29900	2.6
71.01228	1.0
76.70052	0.4
81.03339	0.9
83.01250	0.7
93.03342	0.9
95.00722	0.4
95.01276	1.5
97.02839	1.1
98.19764	0.4
107.01272	1.2
109.02836	1.0
109.84067	0.4
116.50637	0.4
117.03325	0.6
117.22534	0.4
119.04910	1.1
121.02825	1.4
123.00779	2.2
124.01548	1.4
125.02334	100.0
126.02672	3.3
133.02824	0.5
137.02348	3.3
139.00284	0.5
139.03905	1.3
145.02843	2.1
149.02385	3.1
151.00282	0.8
160.01489	0.4
163.00233	0.6
163.03891	1.1
164.01024	2.1
164.96524	0.4
165.01848	5.2
166.02582	1.9
166.99753	0.8
167.03427	5.6
168.00540	0.9
169.01335	89.3
170.01646	2.9
175.03917	4.0
177.01849	35.4
178.02235	1.4
185.05992	0.5
190.99678	0.4
193.01341	1.0
197.04456	3.0
197.05885	0.3
199.03996	2.2
201.05466	0.4
211.04060	0.5
217.04984	1.9
241.05020	2.5
243.02902	0.5
285.04074	5.7
286.04202	0.5
303.05081	12.6
304.05194	0.6
314.76538	0.4
317.06656	1.6
319.04535	4.7
320.04788	0.7
321.10727	0.4
329.02945	2.1
335.07761	3.1
337.85312	0.4
361.23691	0.4
383.55243	0.6
487.08633	1.3
487.14798	1.3
487.25793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00547	0.9
58.02842	12.7
59.01248	1.9
61.98702	8.9
66.03362	1.8
68.04924	0.9
70.02841	2.1
70.40914	2.1
70.41268	1.4
71.01242	2.3
72.00770	1.4
74.02341	30.7
81.04453	1.3
82.02851	3.7
83.02387	0.9
84.04417	1.5
85.02829	1.4
85.03951	1.1
86.02351	10.3
86.06001	1.3
86.98969	1.8
87.05492	6.3
87.98573	0.8
88.50760	0.8
90.00059	1.8
97.03948	2.4
98.20502	1.2
99.05516	28.1
101.02319	1.3
101.07070	4.8
102.05478	3.7
107.06056	1.8
109.03955	3.5
109.07590	1.7
111.05537	3.1
112.03918	3.2
113.03452	0.8
115.70058	0.8
116.01609	1.9
119.32562	0.7
120.01168	0.9
123.05514	2.6
123.08057	3.0
124.03954	1.8
125.02363	2.2
125.03453	3.2
125.13099	0.8
127.05014	4.2
128.03423	67.5
129.03775	2.4
131.04520	1.3
135.05502	6.4
137.07072	2.1
141.06604	6.2
143.04517	99.1
144.04890	1.8
145.06088	4.2
146.04489	9.4
149.07111	1.2
153.06567	7.0
155.08134	1.5
160.00642	27.4
166.09779	3.4
167.04468	5.6
167.08153	3.3
171.03973	2.2
171.07713	2.1
173.63683	0.9
177.03302	9.7
179.04524	20.2
180.04706	1.0
180.07664	1.2
181.06102	3.3
185.05574	3.3
192.07683	2.3
197.05603	3.6
198.08778	1.8
210.08763	17.5
231.04379	1.2
242.07799	2.8
249.14914	1.1
254.07794	34.0
255.08189	2.5
272.08865	47.3
273.09088	2.3
288.06558	15.6
291.17987	1.2
306.07629	100.0
307.07886	6.4
337.47437	0.9
362.71429	0.9
424.22708	4.6
484.20981	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75069	0.4
71.50471	0.4
71.50841	0.5
78.95765	7.0
95.43008	0.4
111.75184	0.4
113.87221	0.4
123.72710	0.4
142.13602	0.4
152.99487	13.7
171.00555	0.9
224.30003	0.4
227.03210	2.7
241.94144	0.4
245.04237	1.4
251.03612	0.4
255.23253	100.0
256.23590	9.8
470.40738	0.5
481.64612	0.5
483.27249	26.0
484.27524	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	484.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	14.2
61.98690	4.0
66.03344	2.3
68.63390	1.5
70.59377	5.6
72.00764	3.1
74.02334	28.6
82.02857	3.1
86.02330	10.3
86.05991	2.5
86.98917	2.1
87.05501	13.6
90.00045	2.8
97.03951	3.6
99.05510	24.2
101.07112	3.0
102.05482	3.0
109.03957	3.7
109.07594	2.8
111.05532	3.6
112.03913	3.6
113.07027	1.8
116.01640	3.6
119.36153	1.5
123.05537	2.8
123.08022	3.6
125.02332	4.6
125.03430	2.9
127.05020	6.2
128.03421	74.6
129.03815	2.0
135.05556	6.0
141.06619	7.7
143.04517	97.1
144.04858	2.8
144.11632	1.6
145.06068	3.6
146.04469	7.2
149.78085	1.5
153.06578	6.0
160.00632	28.0
161.31111	1.6
166.09769	3.4
167.04549	6.0
167.08167	4.2
170.50768	1.7
172.82211	1.6
177.03275	7.9
179.04544	19.4
180.04915	2.1
181.06096	2.0
185.05626	3.2
192.07782	2.9
197.05632	4.0
203.85490	1.5
210.08771	16.2
231.04607	1.8
242.07817	2.4
254.07771	27.6
255.08128	2.6
272.08859	42.9
273.09348	2.7
288.06497	11.1
306.07623	100.0
307.07944	5.8
484.20923	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73798	0.7
69.16770	1.6
69.17177	6.4
70.87361	0.7
77.27918	0.7
78.95773	46.5
84.18012	0.7
96.96834	3.3
98.19778	1.4
142.24165	0.7
152.99483	64.0
171.00548	20.7
227.03246	3.1
234.55200	0.8
245.04277	100.0
246.04671	3.3
253.21703	63.4
254.22020	4.2
266.48492	0.7
481.25705	37.7
482.26016	4.2
488.36966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.4
59.01245	1.9
61.98697	1.5
69.16944	6.2
71.01252	1.2
81.03311	0.5
83.01254	1.3
95.04881	0.9
105.03329	1.5
105.16788	0.6
106.06500	100.0
107.06831	4.2
109.02824	1.7
123.00700	0.6
124.01509	0.7
125.02326	29.6
126.02652	1.5
137.02354	5.8
138.27513	0.7
139.03899	1.1
149.02377	1.1
150.05501	43.2
150.57349	0.6
151.03918	1.0
151.05856	2.1
161.02354	10.7
165.01778	1.7
167.03406	3.2
177.05505	1.4
179.03450	2.0
183.04355	0.9
194.04510	89.8
195.04865	4.6
199.03978	1.0
201.05455	1.5
203.03389	0.7
219.06602	1.9
225.05472	1.1
227.03435	1.3
229.01358	1.7
269.04538	10.5
270.04947	1.1
287.05637	3.4
305.06693	12.7
306.07153	1.1
482.09518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27555	0.9
54.74079	0.9
57.03312	2.3
59.01245	4.9
61.81924	1.1
61.98688	2.0
64.09416	0.8
71.01250	8.7
72.67759	1.0
73.02811	3.6
79.05445	0.9
83.01234	2.4
83.04894	1.1
85.02821	5.7
89.02293	1.7
93.03354	1.2
95.01260	1.5
96.95828	2.1
99.00755	2.1
101.02324	5.2
101.55756	0.8
106.06509	18.6
107.04916	5.1
108.02052	2.9
109.02838	10.3
111.00729	1.2
113.02320	4.1
115.14215	0.8
118.96755	0.8
119.04923	1.1
121.02850	1.5
122.03621	4.5
123.00750	1.5
123.04411	2.0
124.01559	1.8
125.01467	1.7
125.02332	22.8
125.05989	1.1
131.08551	1.8
133.02827	1.8
134.03638	1.3
135.04410	92.3
136.05251	10.2
137.02335	5.6
137.05934	1.2
139.03899	5.4
147.04399	2.1
148.05208	3.4
149.05971	4.1
150.03093	1.0
150.05489	8.1
151.00272	1.2
151.03920	1.2
159.02907	1.5
159.04326	0.9
160.05144	2.1
161.02403	6.2
161.04445	5.2
161.05933	2.9
164.01028	0.8
164.04730	4.4
165.01819	2.1
166.02632	1.3
167.01573	1.2
167.03380	3.7
175.03865	1.4
175.07603	7.8
176.08339	42.9
177.01865	10.4
177.09117	69.0
178.09479	3.4
179.03386	1.1
188.08371	4.8
189.01852	11.2
189.09146	1.1
190.02383	1.3
191.03488	1.5
191.07024	3.9
193.05061	1.1
194.04503	16.2
201.05449	1.1
202.09738	1.0
204.07841	3.0
205.08565	3.3
206.09346	2.0
213.09047	1.2
216.00584	2.3
217.01350	16.1
219.02831	1.4
219.10190	2.0
220.07320	0.9
231.02925	1.3
233.04594	1.1
243.02618	1.0
245.04221	1.1
256.14575	4.0
257.15472	14.0
258.15637	2.1
269.04495	2.6
274.15744	55.2
275.16507	100.0
276.16806	8.3
284.09009	3.9
284.60010	1.0
287.05594	2.3
289.14420	2.1
301.07297	1.8
305.06628	5.9
313.07126	2.0
316.02139	1.1
317.02679	2.1
317.17471	2.6
318.02835	2.8
319.11850	1.1
339.14398	4.8
341.06650	11.5
345.13538	2.2
349.22421	1.2
355.07971	1.2
357.06137	18.8
358.06699	2.1
371.07758	3.0
393.13791	8.7
437.21875	4.7
481.11185	7.7
481.20804	10.5
481.26544	1.8
482.11270	1.7
482.21140	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	479.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15427	0.2
51.73989	0.3
53.85842	0.3
69.03324	0.5
71.49213	0.3
71.49572	0.4
113.19760	0.3
117.03387	0.3
121.83482	0.3
122.70591	0.3
137.09621	0.3
145.02811	1.6
146.03175	1.0
151.00195	0.4
157.12233	0.4
164.01097	0.3
167.10669	0.4
167.14359	0.7
169.01357	0.3
178.99753	0.7
183.13829	7.2
183.15392	0.6
193.12328	2.3
211.13344	100.0
212.13687	7.0
214.02661	0.9
215.03432	0.3
235.52576	0.3
242.02248	0.5
259.02405	0.6
270.01862	0.5
271.02481	3.0
272.02759	0.6
285.17111	0.7
287.01965	1.9
288.02481	0.6
305.75656	0.3
316.02222	8.2
317.02924	2.4
329.99319	0.3
361.23914	0.6
363.24997	0.4
368.33438	0.3
387.25357	2.4
388.25793	0.5
435.27493	1.0
461.29083	1.3
479.08337	6.5
479.29477	1.4
480.08603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1136
Annotation	CHEBI:70258
Peak:m/z	Relative Intensity
50.78247	0.8
57.03321	8.8
57.42344	0.8
69.21240	8.4
74.40707	0.7
77.03813	0.8
81.03320	1.6
83.01253	2.4
87.49306	0.7
93.03339	1.1
94.23624	0.9
95.01231	0.7
95.04901	1.7
105.03326	1.8
109.02850	2.3
111.04400	0.9
123.00723	0.9
123.04407	0.8
125.02331	100.0
126.02682	4.3
128.62912	0.8
132.02074	1.3
134.03627	5.3
135.04338	1.3
137.02336	16.1
139.03923	3.5
149.05959	3.9
160.01596	4.9
161.02348	36.4
162.02777	1.8
164.01097	1.4
165.01833	13.2
166.02399	0.8
167.03444	4.3
170.35318	0.8
173.05919	1.0
175.03903	5.9
177.01823	0.9
177.05463	3.2
178.02586	3.3
179.03403	4.2
180.42801	0.7
193.04973	11.4
201.05516	1.7
219.06546	4.5
221.04625	1.7
261.07562	0.9
269.04572	1.4
270.04904	1.0
274.15958	1.0
275.16455	2.1
287.05679	4.3
305.06638	33.7
306.07117	2.7
311.09183	1.7
315.08777	5.9
358.25302	0.8
473.28363	0.9
481.11633	1.7
491.50827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32508	0.2
53.08001	0.2
59.01249	0.4
60.97446	0.2
61.98692	0.3
69.03321	0.4
71.49320	0.3
83.04883	0.3
92.88575	0.2
97.06467	0.3
101.67490	0.2
104.61794	0.2
107.01161	0.2
124.01557	0.3
151.00227	0.7
155.10620	0.3
165.12773	0.4
167.14323	0.8
171.04413	0.3
178.99789	0.7
183.13840	7.3
184.14114	0.6
193.12302	2.3
203.03522	0.3
211.13335	100.0
212.13670	6.5
214.02667	0.4
242.02167	0.5
243.02975	0.3
251.19830	0.2
259.02475	0.6
270.01724	0.8
271.02393	2.5
272.02768	0.4
285.17087	0.7
287.02136	1.8
288.02689	0.6
316.02222	6.9
317.02750	1.7
325.25122	0.3
361.23816	0.4
369.24335	0.6
387.25439	2.8
388.25665	0.6
405.26657	0.4
413.88690	0.3
435.27466	0.8
461.29150	2.2
462.29395	0.3
479.08325	4.5
480.08521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30428	0.4
68.55553	0.5
70.98724	0.7
87.00667	0.5
106.30831	0.5
107.01225	0.8
124.01530	1.6
135.00858	0.6
137.02304	1.3
151.00238	2.9
163.00314	0.7
164.01027	0.6
178.99771	3.8
186.70253	0.5
203.03505	0.6
204.04056	0.5
212.64461	0.5
214.02589	4.1
242.02074	2.9
243.02859	2.2
259.02448	3.9
270.01694	3.6
271.02457	21.4
272.02808	1.4
287.01941	13.1
287.05005	1.0
288.02457	1.2
315.01410	1.1
316.02200	63.2
317.02859	19.0
318.03201	1.1
378.04001	0.6
383.79926	0.5
479.08261	100.0
480.08603	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	479.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56534	0.8
63.02271	0.9
65.00197	3.7
65.77663	0.7
71.12241	1.0
71.12618	1.4
83.01240	2.3
87.65147	0.8
107.01282	7.3
109.02843	5.4
109.99992	6.1
111.00767	4.2
121.02811	1.1
121.14849	0.7
123.00772	2.3
124.01495	1.1
125.02333	8.1
131.01253	1.0
137.02357	6.3
137.99487	2.9
139.00287	11.4
149.02377	1.0
151.00278	26.4
152.00790	1.0
161.02364	0.9
163.00270	5.5
164.01076	12.5
165.01857	3.5
165.99019	8.4
166.99805	5.6
167.03508	0.9
169.01367	1.4
175.00288	5.4
178.99757	6.1
187.03908	0.8
190.02748	1.0
190.99780	2.3
192.00548	3.9
193.01340	3.0
194.99239	4.3
202.02814	1.3
205.01355	2.0
206.99280	1.7
215.03403	0.8
219.03036	1.0
227.03488	1.3
231.02904	1.6
242.02025	0.8
243.02924	3.0
245.00916	0.9
257.00925	0.8
258.01648	2.7
259.02505	2.3
259.17615	0.8
260.02991	0.8
271.02475	2.8
272.03256	0.9
275.01981	1.2
286.01147	5.2
287.02020	15.0
288.02377	0.9
298.01135	0.9
303.01456	5.8
304.02017	1.1
313.05707	1.8
316.02219	6.3
317.02902	7.3
331.00983	1.9
332.01712	46.9
333.02319	13.7
341.05191	2.8
403.11755	0.8
438.86572	1.0
479.08319	100.0
480.08679	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	477.2856
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
58.04694	0.2
58.22413	0.3
59.01252	0.5
60.17813	0.2
71.04620	0.4
91.62222	0.2
117.03352	17.9
118.03719	0.6
119.04919	22.3
120.05261	0.8
121.02853	1.8
123.04392	0.3
133.02866	0.4
134.60036	0.2
137.90686	0.3
145.02858	100.0
146.03203	4.5
151.00348	0.3
162.03162	0.3
163.03918	13.6
164.04260	0.7
209.11778	0.3
211.13358	0.4
267.19614	0.7
287.02069	0.6
299.22278	0.2
313.23901	0.8
315.01575	0.5
331.24875	4.9
332.25345	0.4
459.27634	1.1
477.28580	31.5
478.28864	4.7
481.66660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	3.0
68.99699	1.8
69.27515	6.4
69.27938	3.5
71.47724	1.0
77.59490	0.9
95.01260	3.8
107.01268	2.4
107.20081	1.0
109.02847	2.0
109.99989	11.4
111.00764	8.9
123.00771	4.5
124.01538	2.9
125.02322	4.6
130.06654	0.9
133.02965	1.2
135.00842	1.5
136.98729	2.6
137.02345	2.5
137.99475	2.9
139.00282	13.0
140.01031	2.7
143.04948	1.7
145.02852	1.2
149.02303	1.7
151.00276	11.1
152.01079	7.9
153.01842	3.5
159.04460	1.6
161.02332	2.3
162.02936	1.6
163.00261	3.0
164.01060	4.1
165.01855	4.5
165.98999	11.6
166.99757	6.3
169.01349	1.4
171.04453	2.0
173.02301	1.6
174.03177	1.6
175.03886	2.9
176.01122	1.2
177.01773	2.4
178.99782	15.1
180.00430	2.5
184.18079	1.0
187.03926	3.4
189.01878	3.0
190.02612	2.4
191.03398	1.3
192.00540	1.9
193.01112	1.3
194.99196	3.0
199.03993	2.1
201.01860	1.5
202.02666	1.2
203.03488	7.2
205.01352	3.6
206.99243	2.4
207.99919	1.5
213.01840	3.1
214.02568	1.8
215.03471	6.5
217.01389	1.7
218.02095	2.6
219.02882	6.5
220.03664	1.2
221.00815	1.5
229.01363	2.7
230.02142	4.3
231.02898	6.3
241.01379	2.0
242.02034	3.0
243.02989	7.9
245.00964	1.8
246.01663	1.0
247.02434	4.4
248.03127	1.3
258.01672	5.2
259.02420	10.6
260.02805	1.5
261.04117	1.4
269.00998	1.8
271.02460	8.7
275.01984	2.1
276.02786	1.1
286.01172	4.8
286.98730	2.0
287.01962	38.3
288.02481	8.4
289.03568	5.8
297.00424	1.4
303.01483	5.8
304.02100	3.3
305.02744	1.6
315.01434	37.0
316.01971	6.2
317.02713	1.4
331.01157	1.7
332.01715	94.3
333.02414	34.9
334.02872	3.1
426.23334	1.0
461.07214	4.0
477.28574	1.2
479.08289	100.0
480.08572	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12311	1.7
55.01770	3.2
55.74003	2.3
58.00468	2.0
59.01252	100.0
61.98701	9.1
69.19829	21.2
71.01257	59.8
72.99174	3.2
73.02822	18.3
75.00738	2.7
83.01270	7.0
83.04922	2.2
85.02812	20.5
87.00750	3.6
89.02324	18.5
95.01259	3.9
97.02829	3.5
99.00760	7.0
101.02316	31.7
105.01822	5.4
113.02326	28.1
119.03384	6.6
123.00768	3.3
125.02329	9.1
131.03407	2.9
143.03389	4.3
151.00302	6.8
159.02942	3.9
161.04449	30.4
169.01422	3.1
174.03149	2.5
176.13245	2.2
178.99771	5.0
179.05499	2.3
179.10683	10.7
183.13780	13.1
197.11739	20.7
203.03461	4.3
215.03462	3.2
217.01253	4.0
243.03036	3.4
253.09198	4.7
259.02435	4.9
269.00824	2.2
271.02478	4.6
287.01950	24.3
288.02515	3.4
301.16519	2.5
315.01495	15.0
316.01886	3.6
330.03894	2.4
331.04550	2.5
417.24948	70.1
418.25244	9.1
477.06787	4.6
477.13544	4.1
477.19934	16.4
478.07693	2.7
478.20523	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	477.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01279	0.3
55.68767	0.2
57.03055	0.5
57.03322	6.6
59.01245	1.7
61.98700	0.3
63.02275	0.3
65.00198	1.3
68.99674	0.6
69.21375	2.0
71.01254	0.8
71.07461	0.2
72.99193	0.3
73.02779	0.2
81.03324	2.1
83.01256	7.7
85.02830	0.4
89.02323	0.4
91.94052	0.2
93.03323	0.6
95.04891	0.3
97.02832	0.9
101.02303	0.6
105.03345	0.4
107.01278	1.5
109.38493	0.2
113.02312	0.3
119.04900	4.0
121.02843	1.4
123.00734	0.3
123.04398	3.2
124.01530	0.4
125.02334	100.0
126.02683	2.9
135.04390	0.3
137.02362	0.3
139.03912	1.8
145.02878	0.2
147.04398	0.4
149.02344	12.4
150.02673	0.5
151.00275	2.7
152.00967	0.2
161.04498	0.4
163.00322	0.2
163.03935	0.4
163.86102	0.2
167.03401	8.2
168.03784	0.5
169.01253	0.2
171.04446	0.3
173.02351	0.6
175.03903	0.3
178.99786	0.7
179.03439	0.9
187.03987	0.4
189.05495	4.7
190.05954	0.2
191.03438	2.6
193.01373	0.2
203.03450	0.8
204.28633	0.2
209.04538	0.9
215.03441	0.9
217.01344	0.4
231.02962	0.5
241.01408	0.3
243.02922	0.6
253.09685	0.3
259.02380	1.0
269.06595	0.3
271.02563	1.9
287.01953	4.5
287.07629	1.5
288.02426	0.6
295.95618	0.3
299.02005	0.6
300.02618	0.4
301.03519	1.3
313.03537	0.3
314.04211	0.5
315.01669	3.0
315.05246	1.2
315.08713	15.6
316.02200	0.7
316.08975	1.5
329.08859	0.4
330.03769	2.4
331.00955	0.4
331.04468	2.0
332.04785	0.3
339.08722	3.8
340.09164	0.6
357.09711	0.5
369.09689	0.2
381.10178	0.2
433.16174	0.5
477.09268	1.9
477.14511	1.4
501.49408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.8
65.00201	0.7
71.27521	1.1
72.44698	0.6
83.01244	1.1
104.04871	0.6
107.01264	3.3
124.01547	1.7
135.00761	1.5
136.01517	0.6
139.03943	0.7
143.04929	1.6
147.04408	0.9
148.01492	0.6
149.10907	0.5
151.00273	15.3
151.03963	0.7
152.01027	1.6
155.04909	0.7
157.02942	0.6
159.04381	1.7
163.00276	5.4
164.01155	1.0
165.56947	0.6
171.04503	1.8
175.03853	1.3
178.99776	10.6
185.02336	0.7
187.03900	4.5
188.04182	0.7
189.01785	0.7
199.03976	5.5
201.01848	1.4
203.03430	13.8
204.03903	1.4
213.01863	0.9
214.02655	3.2
215.03416	10.3
216.03963	0.8
217.01375	1.8
227.03444	2.3
230.02182	0.7
231.02913	11.3
232.03400	1.2
241.01358	1.6
242.02176	5.7
243.02942	17.2
244.03339	1.7
255.02933	0.8
258.01736	1.1
259.02454	33.0
260.02985	3.3
269.00916	1.3
270.01657	6.5
271.02454	43.6
272.02798	4.9
285.03983	3.0
286.01208	1.5
287.01962	55.0
288.02448	5.7
295.95099	0.6
298.01184	2.3
301.03476	1.7
302.03955	0.7
303.05069	1.5
313.00198	0.6
313.03479	1.2
315.01453	92.0
316.02106	38.2
317.02615	2.6
329.02884	0.7
330.03775	100.0
331.04538	97.6
331.08743	1.4
332.04910	8.7
462.08362	0.8
477.10361	88.1
478.10678	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	477.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.4
61.98693	6.5
71.01250	2.9
71.49068	0.9
71.49564	1.7
83.01286	0.9
85.02818	1.3
89.02308	1.5
101.02298	1.9
107.01285	1.2
113.02351	1.2
119.30708	0.9
120.99547	3.0
125.02338	1.6
151.00278	3.1
165.07019	2.5
167.08565	1.8
169.01378	1.0
169.05135	1.0
169.06505	3.0
178.99706	1.9
180.94052	4.0
183.08061	1.1
187.03917	1.0
189.01846	1.1
193.06538	5.8
209.06026	8.6
211.07597	14.6
212.07916	1.6
213.05624	1.1
215.03363	2.0
217.01266	2.4
230.02142	1.4
231.02802	1.2
237.05574	9.8
238.05750	1.1
243.02919	1.1
253.14348	2.7
255.06604	100.0
256.07004	10.3
259.02573	1.1
287.01962	10.3
300.51657	1.0
315.01395	6.5
329.66336	1.2
331.00897	1.1
417.24713	1.6
477.05606	3.3
477.28839	7.2
478.28854	1.5
491.81668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52990	0.4
55.01725	0.5
57.03264	0.5
59.01190	1.7
65.00143	0.8
65.03778	0.3
67.01721	0.5
68.99619	1.3
69.03260	0.5
71.01185	1.5
73.02771	0.4
81.03322	6.6
83.01250	5.4
85.02835	1.5
87.00697	0.5
93.03342	3.4
95.01239	1.6
95.04903	3.5
97.02839	2.4
98.20583	0.9
99.00751	0.5
99.04402	2.1
101.02215	0.4
105.03265	0.4
107.01282	2.3
107.04839	1.1
108.02046	0.4
109.02854	2.0
109.06406	0.6
111.00710	0.5
111.04404	1.6
113.02266	1.0
119.04910	6.5
121.02834	4.9
121.06388	1.0
122.03535	0.6
123.00700	1.3
123.04409	12.8
123.08026	0.3
125.02329	6.8
125.05888	0.4
133.02856	0.3
133.06395	0.7
133.11473	0.3
135.00697	0.5
135.04424	2.9
137.02351	2.9
137.05991	4.7
137.96747	0.4
139.02869	0.4
139.03903	6.4
141.05376	0.7
143.04922	0.8
145.02829	0.7
145.06404	0.4
147.04427	2.7
149.02345	11.9
149.05914	0.9
150.02721	0.4
150.53990	0.4
150.99176	0.5
151.00275	6.5
151.03949	2.4
151.07510	0.5
153.05450	0.7
159.04321	0.9
161.02338	0.6
161.05977	1.8
163.00197	0.4
163.03928	3.6
163.07497	0.9
164.04576	0.7
165.01891	2.3
165.04195	0.3
165.05472	5.8
166.02626	1.7
167.03413	18.6
168.03732	0.6
169.01265	1.0
171.04333	0.9
174.02969	0.3
175.03876	0.8
177.01823	0.8
177.05418	1.3
178.99834	1.8
179.03423	3.1
179.06972	1.1
180.04039	0.4
181.04956	2.3
185.05939	0.4
187.03879	1.4
189.01765	1.0
189.03964	0.5
189.05501	5.8
190.02560	0.4
191.03427	4.0
193.05005	2.3
195.06505	0.6
197.04466	1.0
199.03831	0.6
201.01793	0.4
203.03351	1.4
205.04945	0.3
207.02928	0.4
207.06558	1.5
209.04498	22.9
210.04741	1.1
214.02643	0.3
215.03493	2.9
217.01328	1.1
217.04944	0.5
218.01906	0.4
219.02834	0.5
221.04523	3.2
223.06053	0.7
227.03354	0.9
229.01437	0.5
229.08627	0.9
230.02078	0.5
231.02811	1.0
233.04489	1.7
235.05923	0.7
239.03310	1.0
239.05560	6.2
241.01303	0.5
243.02954	1.1
245.08221	0.4
251.05588	3.0
255.02881	1.1
257.04388	0.6
258.01553	0.5
259.02533	1.7
263.05530	0.9
269.00711	0.4
271.02417	0.6
272.03159	1.1
273.03784	0.5
273.07703	0.3
282.00806	0.3
283.02283	0.4
287.01978	9.3
288.02344	0.6
299.01929	0.7
300.02704	3.9
301.03519	100.0
302.00873	0.4
302.03851	9.0
303.01385	0.9
312.99634	0.4
314.00455	0.6
315.01599	2.1
315.08734	9.7
316.02045	0.5
316.09003	0.5
317.02820	0.5
327.08664	5.1
328.09402	0.4
330.00177	0.6
331.00940	1.5
333.00739	0.9
341.10312	0.9
355.08371	0.7
357.09778	69.4
358.10052	6.7
369.09714	1.8
387.10840	46.5
388.11179	4.7
388.47073	0.4
399.10986	2.1
433.07507	0.4
441.12036	0.7
459.12933	2.2
477.06906	24.7
477.14059	4.6
478.07242	3.8
478.13870	0.4
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
59.01233	0.7
60.38864	0.2
62.96262	0.2
69.17081	2.0
78.95775	24.8
96.96841	0.3
104.97366	0.3
122.00014	1.2
122.98367	0.2
134.98386	0.3
140.01088	5.8
148.31679	0.2
151.39844	0.2
152.99475	2.3
157.16550	0.2
166.02556	0.2
171.00578	0.8
188.67784	0.2
196.03728	11.6
197.04080	0.5
212.76241	0.2
214.04796	2.8
261.22223	0.4
279.23285	100.0
280.23642	10.1
280.26825	0.3
287.01852	0.3
315.01520	0.3
366.32373	0.2
402.23813	0.2
476.27811	27.4
477.28119	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	477.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52990	0.4
55.01725	0.5
57.03264	0.5
59.01190	1.7
65.00143	0.8
65.03778	0.3
67.01721	0.5
68.99619	1.3
69.03260	0.5
71.01185	1.5
73.02771	0.4
81.03322	6.6
83.01250	5.4
85.02835	1.5
87.00697	0.5
93.03342	3.4
95.01239	1.6
95.04903	3.5
97.02839	2.4
98.20583	0.9
99.00751	0.5
99.04402	2.1
101.02215	0.4
105.03265	0.4
107.01282	2.3
107.04839	1.1
108.02046	0.4
109.02854	2.0
109.06406	0.6
111.00710	0.5
111.04404	1.6
113.02266	1.0
119.04910	6.5
121.02834	4.9
121.06388	1.0
122.03535	0.6
123.00700	1.3
123.04409	12.8
123.08026	0.3
125.02329	6.8
125.05888	0.4
133.02856	0.3
133.06395	0.7
133.11473	0.3
135.00697	0.5
135.04424	2.9
137.02351	2.9
137.05991	4.7
137.96747	0.4
139.02869	0.4
139.03903	6.4
141.05376	0.7
143.04922	0.8
145.02829	0.7
145.06404	0.4
147.04427	2.7
149.02345	11.9
149.05914	0.9
150.02721	0.4
150.53990	0.4
150.99176	0.5
151.00275	6.5
151.03949	2.4
151.07510	0.5
153.05450	0.7
159.04321	0.9
161.02338	0.6
161.05977	1.8
163.00197	0.4
163.03928	3.6
163.07497	0.9
164.04576	0.7
165.01891	2.3
165.04195	0.3
165.05472	5.8
166.02626	1.7
167.03413	18.6
168.03732	0.6
169.01265	1.0
171.04333	0.9
174.02969	0.3
175.03876	0.8
177.01823	0.8
177.05418	1.3
178.99834	1.8
179.03423	3.1
179.06972	1.1
180.04039	0.4
181.04956	2.3
185.05939	0.4
187.03879	1.4
189.01765	1.0
189.03964	0.5
189.05501	5.8
190.02560	0.4
191.03427	4.0
193.05005	2.3
195.06505	0.6
197.04466	1.0
199.03831	0.6
201.01793	0.4
203.03351	1.4
205.04945	0.3
207.02928	0.4
207.06558	1.5
209.04498	22.9
210.04741	1.1
214.02643	0.3
215.03493	2.9
217.01328	1.1
217.04944	0.5
218.01906	0.4
219.02834	0.5
221.04523	3.2
223.06053	0.7
227.03354	0.9
229.01437	0.5
229.08627	0.9
230.02078	0.5
231.02811	1.0
233.04489	1.7
235.05923	0.7
239.03310	1.0
239.05560	6.2
241.01303	0.5
243.02954	1.1
245.08221	0.4
251.05588	3.0
255.02881	1.1
257.04388	0.6
258.01553	0.5
259.02533	1.7
263.05530	0.9
269.00711	0.4
271.02417	0.6
272.03159	1.1
273.03784	0.5
273.07703	0.3
282.00806	0.3
283.02283	0.4
287.01978	9.3
288.02344	0.6
299.01929	0.7
300.02704	3.9
301.03519	100.0
302.00873	0.4
302.03851	9.0
303.01385	0.9
312.99634	0.4
314.00455	0.6
315.01599	2.1
315.08734	9.7
316.02045	0.5
316.09003	0.5
317.02820	0.5
327.08664	5.1
328.09402	0.4
330.00177	0.6
331.00940	1.5
333.00739	0.9
341.10312	0.9
355.08371	0.7
357.09778	69.4
358.10052	6.7
369.09714	1.8
387.10840	46.5
388.11179	4.7
388.47073	0.4
399.10986	2.1
433.07507	0.4
441.12036	0.7
459.12933	2.2
477.06906	24.7
477.14059	4.6
478.07242	3.8
478.13870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3794
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
55.08834	0.8
69.20736	8.5
98.20622	1.7
100.76891	0.8
162.63466	0.8
340.12079	0.9
404.85464	0.9
475.37897	100.0
476.38184	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
65.67210	0.1
70.69894	0.5
78.95776	6.3
102.94888	0.2
108.00427	0.2
118.24041	0.2
121.99992	0.3
132.35588	0.2
136.02162	0.2
140.01080	2.3
152.99483	0.7
175.96135	0.2
196.03728	1.4
214.04819	2.8
239.20126	0.5
240.20505	0.6
261.22302	0.4
279.23276	100.0
280.23621	10.6
287.01651	0.2
476.27795	8.6
477.06592	0.2
477.27905	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10595	0.5
54.19463	0.5
58.00475	1.0
59.01250	100.0
60.01590	0.8
61.98705	0.9
69.82892	2.1
71.01249	8.0
73.02816	0.7
83.01276	0.6
85.02844	1.9
87.00758	0.6
89.02316	9.9
96.95887	0.6
97.02902	0.5
101.02316	4.2
113.02325	4.0
119.03390	3.5
124.11905	0.5
125.02321	4.8
131.03387	0.7
135.08939	0.5
137.02393	1.0
141.64343	0.5
143.03368	1.2
149.02412	1.1
149.04460	1.0
150.03154	2.6
151.00282	0.7
161.02341	1.5
161.04497	1.9
163.06010	0.8
165.05443	3.3
169.01459	0.6
179.05598	1.8
191.03474	3.5
191.05243	0.5
195.06618	1.9
219.02946	0.9
234.05388	0.6
255.03029	1.0
271.02524	3.0
272.02823	0.6
279.08798	1.5
287.05450	0.6
299.02176	0.7
300.02707	4.6
301.03394	1.4
313.07303	1.4
343.12006	2.1
415.23264	1.4
475.09073	1.6
475.16037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.7
61.98686	0.7
70.40216	1.1
70.40593	0.5
78.95317	0.6
78.95772	8.1
80.18891	0.3
83.04898	0.4
85.75906	0.3
85.98470	0.3
100.40369	0.3
135.52982	0.3
135.90538	0.3
137.91083	0.3
140.01117	2.8
152.99477	1.1
161.95685	0.3
179.64456	0.3
196.03764	1.5
214.04822	3.2
233.22771	0.4
259.20602	0.4
277.21701	100.0
278.22034	11.1
313.99225	0.3
378.28729	0.4
402.29987	0.4
457.25986	1.2
474.26205	7.9
474.36877	1.0
475.26593	2.4
499.71225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.3
59.61466	0.5
61.70876	0.5
61.98714	0.7
63.57933	0.4
65.43482	0.4
71.53513	0.4
78.95778	43.0
96.96839	2.1
122.00031	1.0
125.09621	0.6
140.01088	7.3
152.99509	4.9
168.93675	0.5
171.00562	2.8
171.10158	0.5
196.03740	14.1
214.04861	3.2
229.18315	0.4
249.15010	0.6
277.21719	100.0
278.22083	10.8
339.23422	0.5
383.22174	1.0
401.23428	1.3
457.25986	0.8
474.26227	36.7
474.37003	1.3
475.26749	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	475.1245
Annotation	Odoratin-7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.85785	0.3
59.01255	4.7
60.03572	0.4
61.98727	0.5
65.00181	0.5
69.44817	2.8
71.01249	1.4
81.03341	0.5
83.01262	0.8
85.02826	0.7
89.02312	1.0
93.03354	0.3
96.95881	2.8
101.02301	0.6
103.05384	0.4
105.03345	0.5
107.01274	1.4
113.02361	0.6
119.03468	0.4
119.04937	0.8
121.02919	0.3
123.04406	1.2
125.02330	1.1
135.04457	0.4
137.02325	0.6
139.03967	0.4
145.96544	0.3
147.04424	4.3
149.02359	2.1
151.00272	6.0
152.01018	0.5
161.04469	0.4
163.03908	0.4
171.00427	0.4
173.77975	0.3
177.01794	0.6
179.03430	3.4
184.84451	0.3
190.02661	0.7
191.03424	100.0
192.03796	6.3
205.01271	0.5
206.01994	0.5
207.02922	7.5
215.70488	0.3
229.34471	0.4
313.07184	39.2
313.14429	2.2
314.07498	4.5
415.23254	1.0
472.99353	0.4
475.12656	4.8
476.12933	0.6
494.39145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82121	0.7
79.36577	0.2
87.04369	0.7
87.86741	0.2
89.36268	0.2
91.11683	0.2
162.37733	0.2
167.01105	0.2
196.78268	0.3
225.47705	0.2
473.36319	100.0
474.36670	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	473.3632
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
56.62929	0.4
71.25763	0.8
72.94884	0.4
74.97292	0.3
88.66594	0.4
110.28008	0.3
127.90398	0.3
139.56587	0.4
152.44666	0.4
213.18593	0.3
236.47308	0.4
284.17657	0.4
449.87793	0.3
461.56360	0.4
473.36313	100.0
474.36658	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	473.3634
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
50.06600	0.3
54.43254	0.3
59.01245	0.5
64.24818	0.3
71.20238	0.7
73.83128	0.3
87.04388	5.7
90.26334	0.3
101.88302	0.4
106.25976	0.4
169.01363	0.4
225.68590	0.3
279.74152	0.4
351.57318	0.4
385.31116	5.3
386.31519	0.5
403.26434	0.4
455.35410	0.7
472.46381	0.4
473.36325	100.0
474.36697	20.3
474.43661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59123	0.6
59.01248	100.0
71.28616	0.9
71.28963	1.2
123.04411	1.0
125.02329	1.5
169.01302	1.7
190.09543	0.9
244.11157	0.7
362.71933	0.8
473.36310	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	473.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48688	0.6
71.49131	0.9
81.72494	0.5
128.48550	0.6
150.54814	0.6
171.04404	1.4
243.77072	0.7
269.08206	3.1
473.27237	5.8
473.36310	100.0
474.36691	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	473.1088
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
54.99857	0.5
56.78777	0.5
59.01245	14.6
65.00197	0.6
71.49937	0.7
81.23860	0.6
89.02298	0.5
93.03328	0.8
107.01245	1.3
109.02843	0.6
113.02296	0.6
115.23474	0.5
125.02364	2.7
132.02061	1.2
135.00748	1.2
137.02330	0.5
151.00273	1.1
161.02266	1.0
163.00255	1.2
169.01195	0.6
176.44772	0.5
183.04398	2.1
185.02530	0.6
185.06023	0.8
187.03970	1.6
199.03969	0.8
201.05531	0.7
211.03960	3.2
227.03442	35.8
228.03868	3.5
229.05000	3.8
239.03442	1.5
240.04163	0.7
251.16518	4.3
255.02951	73.6
256.03436	7.9
257.04330	2.5
269.13852	0.9
276.14633	0.6
283.02448	10.2
284.03235	100.0
285.03952	43.8
286.04306	2.9
346.78342	0.5
413.08804	7.6
414.09097	0.8
473.10846	31.9
473.36023	0.7
474.11038	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	473.1816
Annotation	5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
Peak:m/z	Relative Intensity
57.03321	1.0
58.74390	0.3
59.01250	10.1
61.98706	2.0
71.01272	1.3
71.50482	0.7
75.00762	0.5
78.27766	0.5
85.02789	0.8
89.02314	1.1
96.48208	0.4
107.04893	1.3
113.02309	0.4
115.92194	0.4
117.92015	0.5
119.04951	0.5
123.00767	0.5
125.02346	2.4
132.26674	0.4
135.04376	0.5
135.08093	0.7
147.04411	0.5
161.09581	0.4
163.07590	0.8
167.03464	0.5
169.01378	1.9
175.07735	0.4
198.06859	0.6
205.08661	0.6
209.05965	0.6
211.07570	0.5
212.04767	2.0
223.07581	0.5
225.05356	0.6
226.06242	2.7
227.03424	2.7
233.11755	1.0
239.07008	1.3
240.07828	3.2
241.08565	1.3
251.12952	2.9
251.16351	1.2
253.08722	4.7
254.09225	1.1
255.03000	3.7
258.05322	1.3
272.06857	2.6
283.13330	1.9
284.03226	3.1
285.04028	4.1
293.11926	0.6
309.11395	0.5
310.12082	4.2
311.12875	100.0
312.13235	11.4
383.21606	0.4
403.38452	0.4
455.19232	1.3
473.18097	56.0
474.18448	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	473.072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77235	0.7
57.03308	1.0
59.01248	1.2
65.00187	1.4
67.01746	1.3
68.99707	1.8
69.62468	4.4
70.94308	0.6
73.27018	0.6
73.87560	0.7
74.63415	0.6
81.03297	0.7
83.01265	3.3
93.03335	1.5
95.01257	2.5
95.04924	0.9
95.36997	0.6
97.02849	0.9
98.19906	1.3
107.01279	2.4
109.02811	2.4
111.00748	0.8
111.04343	1.1
116.09971	0.7
121.02834	2.9
123.00779	18.7
123.04353	0.9
124.01569	10.7
125.02339	33.2
132.02943	1.3
137.02365	1.4
138.03133	1.2
139.00252	1.9
139.03912	13.1
149.02371	5.8
151.00278	10.1
151.03888	1.4
153.01839	35.3
154.02182	1.8
165.01852	4.2
166.02647	8.2
167.03407	100.0
168.03712	4.1
169.01337	40.9
170.01675	1.3
174.56700	0.8
177.01834	5.8
183.02940	1.7
193.01350	1.7
195.02899	1.7
273.04102	1.0
303.05139	1.5
319.04568	56.4
320.04892	5.7
321.06168	1.0
396.89633	0.7
473.07056	1.7
499.81754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.3
67.01750	2.8
69.03327	2.6
83.01265	2.8
95.01282	3.5
97.02841	4.3
97.49537	1.4
98.20677	3.2
99.00768	5.5
105.03318	2.1
107.01278	2.8
109.02858	5.2
111.00744	19.7
123.00759	15.9
124.01572	3.0
125.02334	85.7
126.02682	3.0
137.02354	14.6
139.00269	41.5
139.03957	2.1
140.01015	4.6
141.01874	11.3
149.02368	4.3
151.00250	6.9
151.03934	6.1
153.01845	8.0
154.02591	3.4
161.02365	4.8
165.01828	5.3
166.02426	1.7
166.99754	42.4
167.03400	6.4
168.00189	3.1
169.01332	100.0
170.01675	6.2
175.03899	4.7
177.01828	23.6
179.03447	1.5
182.99281	16.8
183.99994	7.7
185.00850	40.5
193.01357	3.2
199.03990	1.5
201.01881	4.1
217.04984	5.3
259.06067	4.0
259.55389	2.0
269.04504	2.7
303.05081	9.6
305.06668	6.3
319.04706	2.3
321.06097	65.9
322.06491	6.6
358.54977	1.7
399.71292	1.7
455.06433	1.9
473.07108	6.5
474.07681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71625	0.3
62.47348	0.2
64.71024	0.3
70.98198	0.5
71.40194	0.3
75.42789	0.3
108.94406	0.3
188.99289	0.3
267.61963	0.3
393.31683	0.6
423.32797	0.6
471.34772	100.0
472.35117	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84183	0.1
59.01226	0.3
71.28981	0.2
79.22337	0.1
98.54905	0.1
471.34769	100.0
472.35120	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	473.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16575	0.5
57.03295	0.9
57.34876	0.5
65.00194	1.7
67.01758	1.1
68.99681	1.2
69.03329	0.7
70.96849	1.2
76.93432	0.6
79.01787	0.5
81.03355	1.0
83.01252	4.3
93.03332	2.5
95.01268	2.5
95.04916	0.7
97.02828	1.0
98.26693	0.5
105.22443	0.5
107.01257	2.1
107.90014	0.5
109.02811	2.0
111.00785	0.7
111.04329	0.6
118.54829	0.5
121.02834	2.2
121.32664	0.6
123.00764	18.9
123.04399	1.5
124.00800	0.7
124.01575	9.6
125.02335	31.6
126.02634	0.7
137.02338	1.6
138.03059	1.0
139.00197	0.6
139.03902	13.4
140.04207	0.8
141.01839	0.6
149.02359	7.1
151.00269	14.2
151.03900	1.6
153.01834	33.3
154.02197	1.4
158.12958	0.5
165.01868	4.2
166.02635	12.8
167.03406	100.0
168.03751	4.2
169.01331	40.6
170.01698	1.6
171.25519	0.5
177.01834	5.2
183.02907	1.3
193.01332	1.2
195.02913	1.9
221.00899	0.6
259.83292	0.5
273.03915	1.2
296.94452	0.5
303.05042	2.4
319.04559	62.2
320.04929	5.2
321.06104	1.0
473.07397	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	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	8.0
59.01252	100.0
61.98709	3.0
68.06193	1.1
69.41840	5.2
69.42262	3.8
71.01251	4.3
81.62755	1.0
83.01280	2.6
83.04903	1.5
86.65183	1.1
89.02320	1.8
95.01250	1.8
95.04871	1.8
97.06467	1.9
98.19720	1.8
101.02342	3.6
105.03338	2.4
113.02319	4.6
117.03352	2.2
119.03387	1.4
119.04893	10.7
120.99666	1.1
121.02856	1.5
125.02343	69.4
126.02673	3.9
137.02394	6.5
139.03926	1.4
145.02881	4.9
149.02356	1.3
153.14259	1.0
161.02359	22.6
161.04456	2.3
163.03929	5.4
168.00545	2.6
169.01341	22.8
177.05513	3.5
187.14911	1.5
193.01495	1.5
249.14929	76.4
250.15327	7.6
269.04532	2.4
273.14993	2.3
287.05569	4.3
305.06540	3.4
307.08331	2.4
375.55438	1.5
471.34625	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	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65952	0.6
57.03320	5.0
59.01248	24.9
59.01545	1.5
61.98686	2.4
70.59448	0.6
71.01244	3.2
71.49477	1.1
73.02821	1.5
83.01257	2.0
83.04891	2.9
85.02819	1.2
89.02316	1.8
99.04401	10.3
101.02330	2.3
113.02331	1.8
125.02329	2.3
129.08350	0.7
139.03899	1.7
155.03142	0.8
169.01320	1.0
169.05115	0.7
179.10678	1.3
191.10672	1.3
205.15919	2.4
247.16982	6.3
249.14935	29.9
250.15269	2.2
267.97409	0.7
289.84116	0.7
291.15985	2.4
309.17062	100.0
310.17444	8.3
315.15936	1.5
351.18073	2.3
398.06790	0.7
471.22018	5.0
471.34723	2.0
472.22607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52692	0.4
57.03322	12.5
59.01234	1.1
61.98700	13.0
63.97546	0.4
65.58328	0.3
69.15708	1.4
69.16120	3.0
71.01229	0.5
81.03320	1.2
83.01258	3.2
94.44669	0.4
95.04904	1.5
105.03350	4.1
109.02854	0.6
123.00739	0.8
125.02332	100.0
126.02666	4.1
132.02052	0.5
133.02831	1.5
137.02354	7.1
139.03943	0.6
149.02342	0.9
149.05974	0.5
159.04378	0.6
160.01605	0.7
161.02347	43.4
162.02710	2.5
165.01807	0.9
166.02652	1.0
167.03427	0.6
172.05223	0.5
175.03809	0.5
177.05475	2.9
179.03412	0.6
197.05894	0.6
201.05519	1.8
202.02292	0.5
217.04991	0.6
219.06516	1.0
225.05490	0.6
227.03198	0.5
229.01395	0.6
241.05067	0.6
243.06654	0.9
248.88873	0.5
269.04596	2.9
287.05591	6.5
288.05988	0.6
305.06607	5.0
306.07077	0.7
333.13358	0.6
471.35040	0.4
483.52399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.093
Annotation	CHEBI:70256
Peak:m/z	Relative Intensity
51.88052	0.7
57.03324	7.5
59.01247	0.9
65.00502	0.6
69.84615	0.7
71.49185	0.8
81.03352	0.9
83.01263	1.9
93.03343	0.8
97.02828	1.1
101.52218	0.7
107.01249	1.2
109.02818	1.0
121.02829	2.4
123.00765	1.9
123.04419	1.7
125.02331	100.0
126.02678	2.2
133.02798	1.4
137.02342	2.4
139.00166	0.6
139.03940	0.9
149.02322	1.6
151.00270	1.5
151.03902	4.8
159.04384	1.2
161.02348	20.4
162.02768	1.3
163.00233	0.9
164.01033	6.0
165.01826	6.1
165.05544	0.8
166.02106	0.7
166.99759	1.2
167.03474	1.0
169.01338	22.4
169.02786	1.3
170.01649	0.7
173.05878	0.8
177.01831	0.8
179.03493	0.9
183.04472	1.4
197.04448	1.9
201.05585	1.1
217.05125	0.6
218.69574	0.7
225.05508	1.7
227.03432	1.5
227.07147	1.5
243.06619	0.7
263.12906	1.4
269.04541	6.2
271.06091	2.8
273.11386	5.4
274.11804	0.9
287.05585	22.8
288.05945	2.5
299.01892	1.1
301.07050	1.4
303.05109	5.3
313.03439	3.8
318.53604	0.6
319.08105	4.5
382.00323	0.8
471.09299	2.4
471.34314	1.0
472.08856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.4
61.36592	0.4
61.98705	0.8
63.10233	0.4
63.30452	0.4
65.71201	0.4
66.97640	0.4
69.31557	0.4
71.49643	0.5
79.95608	20.5
81.51080	0.5
84.64708	0.4
86.10857	0.5
95.95113	7.8
96.95889	100.0
97.95812	0.5
98.95462	0.8
110.97441	3.9
122.97425	0.5
128.30316	0.4
151.00191	0.7
161.56868	0.5
197.34473	0.4
199.07692	0.4
201.18648	0.5
211.07603	0.9
268.14694	0.5
269.11911	0.7
270.01550	0.5
272.56912	0.4
279.53616	0.4
297.11459	0.6
298.12119	1.0
300.06403	0.4
311.12619	0.6
312.04718	0.4
315.12445	0.4
323.12759	0.9
325.10812	0.7
329.13779	1.0
339.12399	0.9
341.10110	0.9
342.10974	0.7
357.13565	2.1
389.15936	1.9
409.09689	1.2
409.18555	0.4
410.09720	0.5
421.09622	2.4
422.10254	0.9
435.11111	0.8
436.11993	12.2
437.08298	0.7
437.12982	0.8
451.10437	1.3
452.11899	0.9
469.11691	8.3
470.11945	1.6
485.16193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.6
61.98684	5.9
71.01244	5.1
77.26172	1.4
77.86716	1.6
81.03329	27.4
85.02821	3.2
89.02302	1.5
93.03331	5.1
101.02338	2.7
108.02021	8.2
109.02815	4.8
113.02347	2.4
121.02847	26.4
122.03641	19.2
122.75229	1.5
123.04404	100.0
124.04764	3.1
125.02316	13.1
134.03680	1.8
135.04405	13.0
137.02371	9.0
138.03110	2.6
139.03877	1.8
146.42940	1.4
147.04402	1.7
151.00262	5.1
152.00981	2.0
157.06419	1.8
159.04436	2.8
161.02348	3.4
161.06027	3.2
163.03848	1.7
165.01845	5.6
166.02548	2.1
166.99677	1.6
167.03375	4.0
169.01254	3.4
171.08020	2.1
173.05984	3.8
175.03920	2.5
177.01797	1.7
177.05386	2.1
178.99794	9.7
179.03450	3.5
181.01314	3.7
183.08121	3.0
185.05946	2.0
199.07529	4.1
201.05495	4.7
201.09053	1.8
203.07054	5.2
209.00916	3.3
213.09132	29.2
217.08626	3.5
227.07069	20.4
229.08621	9.5
245.08170	62.4
246.08492	6.3
257.08203	2.4
263.09241	6.6
271.06107	8.8
273.07758	1.8
277.16455	3.4
289.07086	9.2
307.08115	1.6
317.03033	2.3
319.08136	1.7
341.08884	1.9
360.06973	16.7
374.08582	6.4
409.11276	2.3
409.20578	3.3
419.13361	18.4
435.12866	5.4
451.12592	9.7
452.13028	2.6
469.13229	16.5
470.13602	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	471.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99025	0.3
52.25395	0.3
55.77590	0.3
57.03317	3.5
59.01225	0.4
61.98686	0.6
63.02251	1.0
65.00185	1.8
66.44641	0.3
69.20930	2.1
69.21354	1.4
71.01270	0.5
79.99634	0.3
81.03344	0.5
83.01261	3.4
93.03342	0.9
95.01280	0.5
101.02354	0.4
107.01272	3.6
109.02838	2.2
111.00782	0.5
117.03313	0.3
119.01310	0.3
119.04912	0.9
121.02827	1.5
123.00759	1.3
123.04427	0.9
124.01543	1.3
124.04694	0.4
125.02329	35.0
126.02660	1.0
126.28277	0.3
135.04376	0.6
137.02330	4.5
138.02568	0.4
139.03905	2.8
145.02859	0.6
147.00775	2.6
147.04494	0.4
149.02332	0.7
151.00272	13.5
151.03821	0.4
152.01031	2.6
153.00676	0.6
153.01837	9.8
154.02132	0.4
155.03435	0.6
159.04440	0.5
163.00240	0.4
163.03935	1.3
165.01828	6.5
166.02437	0.5
167.03409	3.5
168.99928	0.5
169.01303	3.0
175.00272	16.0
176.00826	1.0
177.01913	0.6
177.05688	0.4
178.99767	19.3
180.00082	1.1
181.01332	1.6
185.02310	0.7
187.03903	1.1
190.02550	0.6
191.03419	8.8
192.03745	0.4
193.01341	100.0
194.01656	5.2
201.05487	0.5
204.04393	0.4
205.04974	1.3
211.03989	0.4
213.05507	0.6
215.03435	7.3
227.03569	0.3
229.05061	0.8
233.04526	2.4
239.03438	0.8
257.04514	4.7
258.04910	0.4
273.03964	0.5
291.05057	0.6
301.03516	16.9
302.03918	1.4
319.04553	22.7
320.04910	2.1
345.02515	0.8
375.55139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0981
Annotation	Epigallocatechin 3-O-caffeate
Peak:m/z	Relative Intensity
57.03054	1.1
57.03321	15.9
58.62910	0.7
63.05982	0.8
69.48051	4.0
76.93189	0.7
81.03360	1.7
83.01249	5.1
93.03345	1.0
93.06006	0.7
95.01302	1.1
95.04906	1.7
98.20541	1.4
105.03345	4.6
107.04872	1.2
109.02835	10.0
111.04398	1.1
119.04966	1.0
121.02839	1.5
123.00774	1.1
123.57265	0.9
124.01547	1.9
125.02333	83.4
126.02682	2.3
133.02838	8.9
134.03633	3.4
135.04408	77.7
136.04741	3.1
137.02336	29.0
139.03883	4.8
147.04448	1.8
149.02304	1.3
149.05968	0.8
151.03879	2.9
154.07408	0.8
159.04500	2.1
161.02347	37.8
162.02745	1.8
163.03955	1.0
164.01080	1.5
165.01816	4.7
167.03438	3.6
173.02347	0.8
175.03964	9.6
177.01842	1.0
177.05440	3.0
179.03412	100.0
180.03784	3.4
187.03903	1.0
191.03401	1.1
201.05511	1.7
202.02693	0.9
203.03426	12.6
204.03870	1.4
219.02919	1.4
219.06633	2.7
221.04419	1.7
225.05524	1.2
227.03484	1.0
243.06601	1.0
269.04657	3.5
285.07620	4.6
287.05649	3.6
297.07602	2.1
305.06641	25.5
306.07013	1.1
313.07187	1.5
329.06766	1.5
341.06595	2.8
342.07404	1.0
357.06229	1.4
423.10516	1.4
467.09662	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	467.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76906	0.8
54.59038	0.8
57.03315	3.2
61.98696	1.0
71.26067	1.6
71.26400	0.9
73.22740	0.8
79.01773	6.6
88.57794	0.9
100.46528	1.1
145.19350	0.9
146.96497	1.0
149.06023	7.2
150.03011	0.8
166.06267	1.0
167.07048	3.4
171.04401	1.0
173.09576	1.3
183.08081	2.1
193.04980	9.3
211.11247	1.6
211.13246	1.1
231.02899	1.0
253.12251	8.7
254.12682	1.1
262.31638	0.9
297.11301	100.0
298.11661	11.0
344.06134	0.8
387.47803	0.9
451.17471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	44.3
59.01249	20.9
70.78331	2.2
71.01247	7.3
73.02782	2.2
76.98627	1.0
83.00092	1.1
83.01265	2.1
89.02309	5.0
90.99892	1.0
97.02850	1.5
99.04391	20.5
101.02323	11.9
109.02837	4.0
125.01448	1.9
125.02335	24.5
127.48138	1.1
135.04396	10.5
137.02318	7.8
145.07625	5.3
151.00285	1.9
159.09102	1.1
160.06323	12.2
161.02411	6.3
161.04436	13.1
161.07118	47.7
165.01840	3.1
167.03320	2.8
171.10153	1.3
173.10715	2.0
175.03914	2.7
175.07158	1.7
175.08681	32.9
176.09003	1.9
179.03401	10.6
187.08638	5.1
189.06619	82.9
190.06952	3.7
201.10271	9.3
203.03427	3.0
203.08202	36.0
203.11827	10.2
204.08502	1.6
219.06490	1.6
229.09778	20.5
230.10059	1.4
231.02919	1.7
259.02319	1.8
269.04480	2.8
277.11914	3.4
305.06705	14.1
305.11386	65.4
306.11777	4.9
319.02872	1.5
320.03220	1.6
323.12466	100.0
324.12787	8.6
365.13562	11.0
366.13654	1.3
405.16727	1.5
467.09631	5.0
467.16168	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.3
60.63236	0.5
61.98692	0.6
70.23322	0.6
71.01256	4.5
71.49332	0.6
73.02807	1.5
83.01250	0.8
85.02827	2.1
89.02312	1.1
95.23674	0.5
99.00793	1.1
101.02321	4.1
104.12650	0.5
107.04915	3.0
108.19992	0.5
113.02313	3.1
122.03616	0.8
123.04380	0.7
125.02319	0.9
131.08539	1.1
135.04411	55.6
136.05124	3.8
137.02299	0.5
142.62004	0.6
147.04446	1.0
148.05183	0.9
149.05943	0.7
151.00192	0.7
159.02916	0.8
159.04411	2.2
160.05188	2.5
161.04454	3.8
162.45239	0.5
164.04671	8.5
171.08060	1.4
173.06007	1.4
174.06783	25.2
175.07578	5.9
178.99736	0.5
187.07611	0.6
188.08290	0.9
189.09113	4.1
243.02615	0.6
244.14595	0.9
257.15491	0.8
258.16232	100.0
259.16913	39.0
260.17361	2.1
271.02557	1.8
272.02667	1.5
273.02991	3.2
273.14886	2.6
283.16989	0.8
284.09021	6.2
287.01773	0.8
288.02118	0.7
291.16064	1.7
301.18106	6.0
313.18039	0.8
316.02216	2.0
317.02393	2.6
318.02802	6.4
319.03217	1.3
329.01974	0.5
421.22318	13.3
422.22601	1.6
431.74179	0.5
465.09470	8.2
465.21069	5.5
466.09677	0.8
466.21210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1061
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
54.56358	1.0
55.93663	1.0
57.03326	7.5
59.01246	3.4
65.00196	1.9
69.03336	0.9
70.40282	2.2
70.40672	1.8
71.01242	1.5
83.01263	4.5
89.02338	1.8
95.01271	2.8
98.20567	1.1
107.01276	2.9
108.01583	1.0
109.02846	1.9
111.00773	2.0
119.03205	1.0
119.04882	1.5
119.26261	0.9
121.02831	1.9
123.00784	3.2
123.04394	2.4
124.01530	5.0
125.02337	79.6
126.02666	3.4
133.02800	1.5
137.02315	3.0
138.43488	0.9
139.00235	2.6
141.01804	1.3
149.02385	3.2
150.03185	1.3
151.00311	9.8
151.03928	4.4
152.01088	8.9
153.01797	5.6
161.02338	1.7
163.00313	2.1
165.01855	1.9
166.02652	1.4
166.99687	2.4
167.03421	2.9
169.01337	7.2
174.03186	2.1
175.03909	5.4
177.01834	4.0
178.99747	9.9
185.00813	2.1
189.05498	4.4
191.03368	2.5
193.01396	1.5
193.04987	3.6
201.01964	1.1
215.03227	1.1
215.11996	1.2
217.04982	7.1
218.02016	1.1
227.03490	1.2
231.06668	2.5
241.04971	1.6
241.09814	1.2
242.02406	1.3
243.02632	1.4
244.03233	1.7
247.62741	1.1
252.27489	1.0
257.04590	1.5
258.05664	1.3
259.02383	1.2
259.06100	9.8
261.03070	1.1
271.02390	4.8
272.02673	5.7
273.03000	8.5
275.05603	8.1
285.04031	25.2
286.04440	3.0
287.02045	2.6
288.02423	3.1
289.02618	4.1
303.05115	8.8
316.02267	10.7
317.02631	13.3
318.02795	29.2
319.03601	6.6
345.06186	1.5
363.92059	1.0
421.11697	2.0
437.10849	17.4
438.11481	2.2
447.09024	6.0
457.31842	1.2
464.08484	1.1
465.10089	100.0
466.10513	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	465.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12647	2.3
59.01250	4.5
71.01257	21.1
71.48425	3.6
72.74535	2.1
72.99170	2.8
89.02310	2.8
92.42953	2.6
101.02315	3.3
102.66194	2.4
115.00252	34.9
123.00763	5.1
123.86620	2.3
125.02341	6.4
133.01324	100.0
139.97299	2.6
151.00333	5.8
169.01343	8.6
174.56085	2.6
177.01877	3.9
202.94096	2.4
231.03644	2.7
240.92398	2.4
251.73218	2.4
271.04694	2.5
331.06689	28.9
405.09222	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	465.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.6
59.01238	5.8
65.00195	3.5
68.99656	1.5
70.35688	4.0
71.01250	2.3
72.99199	1.4
76.13754	1.2
84.15945	1.2
89.02340	2.2
95.01247	3.7
96.99187	1.2
101.02317	1.6
107.01260	3.9
109.02830	2.2
109.99959	9.0
111.00759	5.7
116.34702	1.3
118.05967	1.4
119.04968	1.7
121.51756	1.3
123.00792	2.7
124.01533	4.2
125.00389	1.3
125.02347	17.5
126.02650	2.3
135.00751	1.6
135.04369	2.0
136.98692	3.6
137.02335	4.2
137.99442	4.1
139.00270	17.2
140.01071	2.1
146.41951	1.3
149.02336	2.5
151.00266	16.4
151.03868	1.4
152.01054	7.9
153.01791	1.5
159.04428	1.5
161.02339	1.7
163.00246	4.4
164.01003	3.4
165.98982	14.0
166.99719	5.0
167.03346	2.7
169.01317	5.3
171.04413	2.1
175.03857	3.0
177.01810	5.1
178.99754	17.9
180.00218	2.9
185.02324	1.6
187.03897	6.0
189.01819	3.6
190.02672	1.7
190.99727	1.8
191.03334	2.2
192.00551	2.8
193.01204	1.4
194.99251	2.4
199.03899	1.6
201.01907	1.6
202.02615	2.4
203.03450	6.6
205.01282	3.0
206.99220	1.4
213.01852	1.9
214.02615	3.9
215.03412	6.8
217.01311	3.0
217.05051	1.6
219.02904	4.4
227.03355	2.2
229.14262	1.6
230.02029	3.0
231.02943	5.2
232.03674	2.9
242.02054	4.3
243.02959	7.7
244.02803	1.4
245.00821	2.5
245.03380	1.9
246.01599	1.8
247.02428	4.0
258.01712	5.7
259.02463	10.9
259.06088	1.7
260.02997	2.4
268.80228	1.4
269.00830	1.6
271.02432	13.4
272.02734	7.5
273.03030	8.3
275.01862	3.2
285.04059	4.9
286.01093	5.8
287.01956	37.3
288.02426	9.6
289.02670	6.2
297.00385	1.9
301.03271	1.7
303.01340	5.7
303.04617	2.2
304.02371	6.8
314.00616	1.6
315.01450	46.8
316.02121	15.8
317.02640	14.8
318.02805	25.7
319.03403	5.4
331.00787	2.0
332.01703	100.0
333.02252	21.9
334.02924	1.6
373.95316	1.2
421.07611	2.7
465.06128	84.8
466.06409	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.8
56.73709	0.4
57.03317	0.4
58.00473	0.8
59.01249	11.1
70.68333	0.4
71.01250	6.2
73.02806	1.7
76.56061	0.5
83.01254	0.7
85.02831	1.9
87.00751	1.0
89.02322	4.9
95.01286	0.6
97.02774	0.4
97.06474	0.6
98.20570	1.2
99.00745	0.6
101.02324	6.5
111.08041	0.7
113.02335	2.7
119.03391	0.6
151.00259	0.5
161.04446	1.9
165.12767	7.7
178.99738	0.6
179.05423	0.7
183.13823	100.0
184.14160	5.2
186.37177	0.4
187.05624	0.4
187.11436	0.4
209.11830	2.4
222.53242	0.4
227.12834	8.2
228.13167	0.7
229.55826	0.4
235.08122	1.2
243.02925	0.5
253.09271	7.6
254.09564	0.6
259.02570	0.5
270.01743	0.6
271.02487	4.1
287.02045	2.8
308.92755	0.5
316.02252	6.6
317.02853	1.5
383.54276	0.4
445.20984	0.9
457.80011	0.4
463.08899	4.3
463.21848	55.4
464.08987	0.6
464.22162	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02256	1.3
65.00185	2.1
70.79359	1.5
70.79699	1.0
71.17220	0.7
75.31580	0.7
83.01255	2.4
89.43148	0.8
107.01281	4.5
109.02845	3.1
113.54318	0.7
115.88252	0.7
124.01579	4.8
125.02360	1.8
126.43295	0.7
135.00757	1.8
136.01558	1.0
137.02330	4.5
148.01477	0.8
151.00262	16.1
152.01010	2.5
163.00284	4.4
164.01094	4.2
165.01811	0.9
169.01294	0.9
177.01836	0.7
178.99760	11.5
180.00143	1.0
183.04359	0.7
187.03987	1.1
192.00591	1.2
195.62074	0.8
199.03880	1.9
203.03465	1.9
204.04059	1.9
210.17567	0.7
211.03825	1.0
214.02615	10.4
215.03340	2.2
226.02682	1.9
227.03447	4.1
231.02924	1.1
242.02177	8.9
243.02934	14.2
244.03514	1.0
254.02054	1.6
255.02951	13.2
256.03314	1.0
257.04514	1.7
259.02432	11.4
260.02747	1.6
269.27112	0.7
270.01666	9.7
271.02451	93.4
272.02774	8.7
273.04062	0.7
283.02380	0.9
287.01953	33.6
288.02328	4.8
299.01953	1.4
300.02725	36.7
301.03433	18.3
302.03723	0.9
315.01462	1.0
316.02203	100.0
317.02850	24.8
318.03238	1.6
439.77966	0.8
463.08783	84.8
464.09106	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	461.2544
Annotation	Incisagenin
Peak:m/z	Relative Intensity
59.01234	1.8
61.98685	0.9
71.49243	0.7
86.64630	0.7
89.03835	1.4
96.87568	0.7
105.03315	3.0
109.06457	0.7
117.03318	2.7
119.04896	2.0
121.02810	2.2
132.02061	7.9
133.02849	20.7
134.03636	50.5
135.04431	20.6
137.02357	8.2
139.03902	4.0
141.12799	1.0
145.02849	2.2
147.04362	0.9
148.05180	1.1
149.05965	6.5
150.03049	1.9
151.00218	1.5
159.04379	0.9
160.01567	42.5
161.02345	17.8
161.05920	2.0
162.02867	0.8
171.04472	0.8
175.03918	97.8
176.04221	4.4
178.02663	5.0
179.03418	11.0
193.04988	26.8
194.02103	1.4
203.03447	1.2
219.81270	0.8
231.03008	1.1
243.02940	1.0
259.02350	2.0
267.19641	3.2
271.02505	1.7
285.20703	12.0
287.01874	3.5
297.11218	0.9
315.01480	11.1
316.01813	1.2
359.18494	2.1
359.25903	1.3
387.25583	3.9
429.22910	6.3
452.00522	0.8
461.06967	2.2
461.25308	100.0
462.25638	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	463.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89764	0.3
59.46806	0.3
63.02270	0.6
64.51997	0.3
65.00202	0.8
73.62308	0.3
83.01258	0.7
91.01778	0.3
98.20566	0.9
107.01257	2.2
109.02828	1.2
123.00779	0.4
124.01552	3.0
125.02307	0.7
135.00784	0.6
136.01538	0.9
137.02336	3.7
148.01546	0.7
151.00284	8.4
152.00983	0.9
161.02370	0.5
163.00262	1.9
164.01062	1.9
165.01817	0.7
169.01366	0.6
171.04535	0.4
178.99786	9.7
179.74892	0.3
188.04579	0.3
189.01883	0.5
190.99884	0.5
192.00594	0.7
193.01384	0.6
199.03943	0.7
201.01833	0.4
203.03456	1.2
204.04019	1.0
213.01845	0.5
214.02650	7.5
215.03365	1.3
216.03993	0.3
217.01427	0.5
227.03288	1.4
231.02977	0.5
232.03535	0.5
241.01305	0.4
242.02176	6.6
243.02917	4.6
244.03537	0.7
255.02965	0.4
259.02444	8.1
260.02798	0.7
261.03940	0.3
270.01706	8.9
271.02457	48.0
272.02814	3.4
287.01953	26.2
288.02493	4.2
289.03497	0.6
299.01913	0.6
315.01624	0.4
316.02216	100.0
317.02817	22.7
318.03329	1.2
463.08810	29.8
464.09134	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	461.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23663	0.6
51.97969	0.8
59.01243	1.7
61.98695	2.3
71.30045	0.6
71.41937	1.5
77.16315	0.5
89.03871	0.9
95.04904	1.1
102.45010	0.7
105.03339	2.5
109.02868	0.7
117.03349	4.9
119.04922	2.7
121.02827	1.5
132.02042	5.2
133.02847	17.1
134.03629	46.0
135.04427	17.5
136.04837	0.7
137.02351	8.0
139.03886	3.1
145.02838	7.5
147.04359	1.1
149.02386	0.8
149.05994	5.7
150.03102	1.6
151.00272	1.1
155.38712	0.6
160.01561	37.8
161.02342	20.5
161.05997	2.1
162.02869	0.9
163.03844	1.7
165.01782	0.8
175.03920	89.2
176.04216	4.4
178.02625	5.1
179.03423	8.4
190.48438	0.6
193.04988	23.7
194.02046	0.8
199.50475	0.7
243.02975	0.7
259.02350	2.3
267.19629	3.1
271.02417	1.0
285.20685	11.2
286.21106	1.0
287.01959	2.3
297.11124	2.1
315.01477	7.1
316.01691	0.8
336.94171	0.7
359.18546	1.6
369.20392	1.2
375.28720	0.7
387.21295	1.1
387.25650	1.5
429.22699	5.2
430.22971	0.9
461.06396	2.5
461.25351	100.0
462.25665	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	461.1602
Annotation	Euchrenone b3
Peak:m/z	Relative Intensity
50.66861	0.5
59.00962	0.9
59.01247	14.3
61.98698	0.8
65.38361	0.6
68.43036	0.6
68.99673	1.4
70.78021	1.5
70.78377	0.8
71.01259	0.8
80.19551	0.6
83.01262	2.0
85.02824	0.8
85.06456	2.8
87.92913	0.7
95.01279	1.1
95.04904	0.9
97.06455	1.9
99.04421	1.4
108.02058	4.2
109.06494	1.1
110.39312	0.6
111.00756	2.2
111.04392	1.2
113.02311	1.1
113.05986	5.0
119.04900	0.7
121.06444	1.0
122.03600	1.4
123.04362	2.1
124.42775	0.7
125.05981	1.1
137.05971	2.7
139.00262	5.8
139.03940	4.8
141.05467	11.5
145.06541	0.8
145.38974	0.6
147.04425	2.1
149.02391	0.8
149.05981	3.6
151.00261	1.8
151.03847	1.1
156.05708	1.7
157.06421	1.0
159.04294	0.6
165.05460	2.3
166.06281	5.8
167.03386	2.0
171.04417	6.7
173.06007	1.8
181.04997	10.6
183.06577	6.4
184.05203	2.8
186.01599	0.9
187.03893	0.7
191.03473	2.2
193.04988	5.8
193.10172	3.6
193.11656	0.6
203.03360	1.4
204.58800	0.6
205.10135	1.3
207.10083	1.1
207.11784	2.4
209.09718	0.8
217.10133	0.8
225.09105	1.2
225.11226	0.9
226.90938	0.6
227.10600	0.9
233.09659	11.6
234.10132	1.1
237.09196	1.6
245.09599	1.3
247.11169	1.0
249.09084	0.8
251.10710	6.6
252.08098	0.7
253.08691	7.3
257.09500	1.0
259.02307	0.8
265.08655	12.0
266.09036	1.4
269.08185	1.1
270.08932	1.6
271.02347	0.9
271.09766	5.2
275.10675	3.4
287.02069	1.3
295.09766	4.5
308.10443	0.9
313.11075	0.8
313.16006	0.8
315.01401	4.4
315.13925	0.7
316.01624	0.7
319.09760	12.7
320.10019	1.4
329.15576	1.0
339.13989	1.2
355.13123	1.4
355.16968	2.8
356.14017	1.1
357.14963	4.9
358.15234	1.0
375.15912	4.9
399.16101	2.0
401.13782	2.7
417.17041	8.8
418.17548	1.2
419.15158	3.2
461.16006	100.0
462.16357	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	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03774	0.5
55.01752	0.5
57.03325	0.8
58.00467	2.0
59.01250	100.0
60.01600	1.3
61.98707	2.4
69.03333	2.4
69.65948	3.3
71.01253	39.7
72.99191	2.1
73.02820	9.3
75.00735	1.3
77.02325	0.5
81.03350	0.9
83.01278	1.2
85.02808	4.4
87.00774	1.2
89.02318	63.1
90.02663	1.0
95.01295	1.4
97.02816	4.3
99.00756	13.6
99.01356	0.8
99.01862	0.9
101.02330	18.3
111.00797	0.7
111.04362	0.7
113.02337	4.7
115.03896	1.7
119.03391	2.4
121.10120	21.6
122.10464	1.0
125.02339	20.2
126.02696	1.2
131.03397	10.3
143.03432	2.1
147.04356	1.0
149.04462	26.3
157.13481	0.5
159.02838	0.5
161.04437	3.9
163.11127	0.7
165.09113	13.0
169.01323	0.7
179.05603	1.0
191.03481	3.4
191.05579	8.2
191.07175	0.7
193.12328	0.9
207.10210	1.8
221.06664	1.2
230.92197	0.5
233.06633	10.2
233.08945	0.5
237.11304	1.6
275.07785	0.6
293.08777	12.6
294.09253	0.8
297.07690	2.6
332.55511	0.7
399.23904	2.0
442.04330	0.6
459.13364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2903
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
53.05244	1.2
55.11641	1.3
59.16180	1.6
70.50767	4.5
72.54462	1.2
85.06643	1.3
102.89053	1.5
103.20687	1.3
107.04913	32.8
122.63760	1.2
163.11201	100.0
164.11542	6.6
276.71307	1.2
283.17020	23.7
284.17227	2.0
295.16998	9.0
299.35413	1.4
300.06293	1.3
404.74872	1.4
459.29056	76.4
459.93692	1.3
460.29398	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	461.1088
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
57.29345	0.4
59.01205	0.3
65.00198	0.5
69.15258	3.3
69.15681	0.9
98.19785	0.7
107.01276	0.8
125.02319	1.4
145.02814	0.5
148.01558	0.4
151.00284	2.7
153.01764	0.6
154.00476	0.4
155.04912	0.5
161.02328	0.7
163.00232	0.5
171.04398	1.0
178.99751	0.7
183.04401	0.5
187.03941	0.9
193.79074	0.4
199.03938	4.2
201.01878	1.4
203.03421	1.2
215.03447	3.7
216.04099	0.5
225.01921	0.4
225.73425	0.4
226.02522	0.6
227.03366	3.3
229.01311	0.6
242.02171	7.6
243.02948	33.4
244.03294	2.9
255.02992	2.6
257.04532	7.8
258.04901	0.7
270.01700	7.6
271.02454	35.6
272.02814	3.4
285.04022	16.0
286.04626	5.4
287.02002	0.5
287.05234	0.6
299.01953	11.6
299.05414	0.7
300.02676	8.9
301.03116	0.7
314.04300	48.0
315.01605	2.0
315.05029	37.0
316.02087	0.6
316.05283	3.1
357.06204	1.0
461.10867	100.0
462.11258	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	457.3687
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
57.03312	0.5
59.41511	0.4
69.13583	0.9
69.13980	3.6
70.77061	0.3
94.73625	0.3
106.05401	0.4
122.68706	0.5
214.54512	0.4
253.54797	0.4
280.74445	0.4
313.25388	0.8
385.04733	0.4
457.36856	100.0
458.37228	14.4
465.50134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.181
Annotation	Dulcisxanthone D
Peak:m/z	Relative Intensity
55.01751	5.8
57.03313	6.5
57.72491	0.8
59.01229	1.6
77.78398	0.9
79.01759	12.5
80.02100	0.9
87.39825	0.8
99.00752	1.3
99.08022	2.0
109.02828	1.2
119.04886	1.8
121.02843	1.5
121.06487	1.5
123.96741	0.8
125.05975	1.0
145.02843	4.3
147.04420	1.3
149.05978	12.9
159.08134	2.5
167.07039	10.8
171.04391	5.0
173.09663	1.6
175.07494	1.3
183.08061	2.4
191.03383	1.2
193.03188	1.0
193.04962	19.4
195.67955	1.0
200.08438	1.6
203.07007	7.4
211.11165	2.5
247.06027	2.8
253.12277	11.3
254.12524	1.4
255.10146	1.9
279.08713	8.8
281.08289	1.0
297.11288	79.1
298.11658	9.2
383.16406	4.9
459.18094	100.0
460.18454	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01587	0.5
57.03319	1.8
59.01248	12.1
61.98694	1.8
65.00193	1.2
69.03331	0.7
69.15989	3.4
69.16415	2.5
71.01273	0.9
81.03348	0.8
83.01253	1.3
89.02308	1.0
93.03344	3.7
95.01263	0.5
97.02834	0.9
97.76340	0.5
98.59179	0.5
101.02286	0.5
105.03384	0.6
107.01279	3.3
109.02809	0.8
119.04918	0.7
119.14672	0.6
121.02835	1.0
123.00777	1.3
125.02339	29.3
126.02672	1.6
127.36974	0.5
135.98140	0.6
137.02361	1.3
137.99553	0.5
143.04945	7.7
145.02959	0.6
149.02353	2.6
151.00291	5.2
161.02370	2.3
165.01862	0.8
166.99608	0.5
167.03430	1.6
169.01350	46.5
170.01672	1.9
173.02829	0.5
189.01872	1.2
193.01376	1.4
193.17911	0.5
201.01868	3.8
219.10239	4.3
227.07135	1.6
235.13422	2.8
243.10257	0.6
249.14963	0.6
251.07129	1.9
293.04724	1.1
294.05396	1.5
295.06110	100.0
296.06458	9.4
305.06628	2.9
319.04584	0.7
374.50781	0.6
425.14526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54312	0.4
71.83253	0.4
93.04195	0.4
99.92459	5.1
100.93248	2.0
115.91960	100.0
116.91971	4.8
116.92751	6.5
132.92198	1.0
172.95395	6.0
173.95422	0.5
229.32655	0.6
283.26599	0.8
312.83438	0.4
354.92688	0.5
376.59567	0.4
383.18503	0.5
399.19086	0.5
409.20471	0.6
457.22775	3.2
458.22922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.7
59.67237	1.0
61.91062	1.0
65.00198	1.4
67.84618	1.1
68.45485	1.1
68.99679	26.2
70.87706	2.6
71.01234	3.3
72.99180	2.5
74.91354	1.1
75.00740	31.5
82.34372	1.0
83.01256	2.6
85.78091	1.0
87.00726	1.7
87.04391	1.3
89.02329	4.3
96.98560	1.6
96.99184	26.6
99.00749	2.6
101.03842	2.9
109.02832	1.8
111.00773	2.4
117.01787	2.2
117.43596	1.2
121.06525	1.3
123.00745	1.5
125.02360	3.5
135.02885	56.8
135.04372	5.6
136.01546	1.2
136.03271	1.8
142.99771	3.9
143.04869	1.5
145.01361	1.5
147.04388	1.4
165.01834	1.2
169.01309	5.7
169.06572	1.1
171.04413	43.8
172.04857	3.3
173.09412	1.2
176.01048	2.9
179.03423	4.8
197.09666	1.2
204.00587	5.8
205.01106	1.1
215.10670	1.5
239.10666	10.3
240.83496	1.1
251.10678	3.8
260.04041	1.1
263.10724	2.5
265.08600	1.6
267.10303	2.7
279.06934	1.9
279.10327	3.7
281.08075	2.0
281.11752	3.5
283.09726	48.5
283.12869	2.3
284.10025	4.6
295.09830	8.2
307.06198	2.1
307.09735	3.4
308.07065	2.4
309.07730	2.1
309.11267	2.2
321.07581	3.9
322.08234	1.7
323.09308	6.7
325.10718	11.9
335.09256	7.0
336.06409	7.5
336.09778	1.2
337.11133	1.7
339.08597	1.5
349.07074	3.5
349.10934	2.7
351.08673	11.1
352.08807	1.7
353.10263	2.5
367.11862	2.1
379.08124	3.5
385.12823	7.3
395.11395	4.4
397.09238	2.1
411.10822	29.9
412.11093	3.9
413.12424	5.2
439.10300	4.4
457.11380	100.0
458.11642	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	457.0773
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
52.85781	0.6
53.21376	0.6
53.86577	0.6
57.03326	5.1
67.01766	0.6
67.52264	0.5
67.97035	0.6
69.03321	3.6
76.35703	0.6
76.61708	0.6
81.03336	2.2
83.01268	0.8
93.03375	0.7
95.01263	1.4
95.04883	0.8
97.02850	3.1
104.03464	0.6
105.03340	1.5
107.01282	2.4
109.02805	1.2
111.04362	0.7
121.02843	0.9
123.00770	1.1
124.01541	2.0
125.02338	100.0
125.60336	0.8
126.02676	2.6
137.02377	3.2
139.03896	1.3
161.02348	4.8
164.01004	0.6
165.01843	1.0
167.03368	2.1
169.01349	66.0
170.01682	2.2
177.05542	0.7
179.03477	1.3
193.01357	2.5
305.06702	3.7
315.84082	0.7
331.04709	1.2
457.07742	0.8
478.57388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.3
61.04012	0.4
64.38025	0.3
67.01765	0.5
69.03324	1.6
71.25937	0.4
71.26266	0.3
71.31077	0.3
81.03333	1.1
83.01254	0.9
95.01237	0.7
95.04919	0.4
97.02830	1.6
104.40189	0.3
105.03313	0.8
107.01263	1.0
107.78182	0.3
109.02809	0.6
111.00800	0.4
111.04412	0.4
112.36748	0.2
113.10477	0.3
123.00775	1.2
124.01535	0.9
125.02335	75.6
126.02662	2.1
133.02905	0.3
137.02339	2.4
139.03899	1.3
149.02390	0.3
161.02348	5.1
164.01056	0.5
165.01801	1.6
166.99762	0.6
167.03421	1.8
168.00572	0.6
169.01341	100.0
170.01678	3.6
175.03893	0.5
177.05499	0.6
179.03401	1.3
193.01355	2.3
201.05457	0.7
203.03412	0.4
204.04295	0.3
217.93022	0.3
219.06528	1.0
221.04475	0.3
227.03499	0.5
269.04419	0.8
287.05624	1.2
305.06619	5.8
306.07028	0.6
319.04471	0.4
330.20654	0.3
331.04666	1.5
434.42429	0.3
457.07605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76144	0.4
71.20193	0.6
107.34656	0.4
172.92543	0.4
199.08180	0.4
281.24832	1.5
426.70062	0.4
455.35257	100.0
456.35605	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40556	0.5
125.02366	0.2
153.19113	0.2
169.01381	0.1
177.02017	0.2
182.70856	0.1
195.59637	0.2
223.57230	0.1
407.33066	1.3
455.35263	100.0
456.35626	18.7
456.42331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68370	0.2
57.03315	2.3
67.01753	0.3
69.03321	1.1
69.50329	1.6
79.01791	0.5
81.03344	0.7
83.01263	0.4
93.03304	0.3
95.01263	0.7
95.04903	0.2
97.02843	1.3
105.03332	0.3
107.01289	0.5
109.02850	0.8
111.88281	0.2
123.00781	1.4
124.01611	0.5
125.02335	66.0
126.02672	2.9
137.02336	2.4
138.03142	0.3
139.03897	1.2
149.02359	0.5
151.03908	0.3
161.02357	5.0
162.02658	0.4
164.01013	0.2
165.01855	2.0
166.99770	0.8
167.03418	2.2
168.00464	0.8
169.01335	100.0
170.01678	4.0
175.03900	0.4
177.01881	0.6
177.05481	0.9
179.03397	0.9
179.61247	0.2
193.01335	2.4
203.03339	0.3
204.04292	0.2
205.01312	0.4
219.06590	1.0
221.04501	0.4
269.04538	0.8
287.05542	0.9
305.06641	5.1
306.06866	0.5
319.04358	0.4
331.04407	1.3
457.08289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	14.3
69.80547	1.0
71.41452	1.5
81.03334	2.0
83.01244	6.4
93.57111	0.9
95.04878	2.6
96.95873	1.5
105.03325	4.3
109.02812	1.9
125.02329	100.0
126.02653	3.6
133.02852	1.6
137.02336	16.4
149.02325	1.6
159.77788	0.9
161.02344	41.4
162.02702	2.0
165.01811	2.1
166.02618	2.9
175.03871	1.1
177.05460	3.8
180.86505	1.0
201.05502	1.9
225.05507	1.2
229.01266	1.2
241.04799	1.1
245.04681	1.2
269.04465	2.8
287.05490	3.7
287.12845	1.6
305.06583	1.9
453.15610	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	454.1507
Annotation	Sch 38519
Peak:m/z	Relative Intensity
55.01752	1.7
57.03313	3.0
59.01247	6.5
61.98703	1.3
65.99715	0.8
68.99689	0.9
71.01248	1.4
71.49718	0.7
72.99203	0.4
76.26228	0.4
78.03365	0.6
80.29302	0.4
87.04380	0.7
89.02326	1.2
96.95915	0.6
97.02837	1.6
97.06458	0.5
99.00752	1.6
99.08031	26.2
100.08377	0.7
101.02306	0.7
103.03897	1.4
107.53068	0.6
113.02332	0.5
114.01850	1.0
119.76205	0.4
123.00758	0.9
123.08049	0.7
124.00285	2.5
125.02323	2.2
140.04901	0.5
149.06024	0.8
152.04706	3.0
164.07126	0.8
165.05484	0.5
167.07045	100.0
168.07382	4.5
169.01315	0.9
175.03896	0.7
177.01758	0.8
179.06996	0.5
184.02469	0.5
190.05055	1.2
191.05772	1.4
192.06570	1.1
193.05006	1.9
194.08061	0.8
198.05577	0.6
202.05048	0.5
208.11383	0.6
216.06601	0.5
224.07162	0.6
226.05064	3.7
226.08661	0.9
246.07692	0.7
264.13980	0.7
266.08090	0.4
266.15399	1.1
277.11020	0.6
280.09735	0.9
281.11819	1.0
286.07181	4.1
290.06699	7.0
291.07132	0.8
292.13632	1.0
294.11374	1.1
294.14722	0.5
296.12790	2.2
303.04877	0.7
306.15201	0.5
308.12851	1.6
322.14368	2.0
324.08994	1.0
336.12427	2.0
348.12366	0.7
350.13831	1.5
366.13391	0.9
384.10977	0.8
394.12894	11.4
395.13269	1.6
414.06427	0.5
454.15024	99.8
455.09149	1.0
455.15350	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	452.2783
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.09573	0.5
57.31953	0.6
58.11359	0.5
58.89112	0.5
59.87004	0.6
63.51996	0.5
78.95779	15.5
94.28504	0.5
103.37933	0.6
121.99976	0.9
140.01077	5.3
152.99492	1.6
196.03719	9.0
214.04842	2.5
229.78934	0.8
255.23271	100.0
256.23605	9.0
316.22403	0.6
398.53424	0.6
452.27847	22.6
453.27921	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	453.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22651	0.3
59.01237	0.3
62.96259	0.5
71.50065	0.6
73.32379	0.3
78.95772	97.1
84.21888	0.2
85.02815	0.8
87.00739	0.3
104.49249	0.3
110.89783	6.4
110.98408	100.0
111.98782	0.8
123.11955	0.3
125.02316	0.4
177.47519	0.3
191.01801	0.3
191.05545	1.2
275.20383	0.3
341.10898	0.9
453.10110	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	451.1246
Annotation	6-C-Glucopyranosylcatechin
Peak:m/z	Relative Intensity
57.03310	3.7
58.33679	4.0
59.01257	48.2
61.98697	8.5
63.56149	4.3
71.01255	9.6
71.49097	2.9
71.49544	6.1
73.02828	4.1
75.00751	4.4
81.03319	11.6
83.01246	11.4
85.02827	5.2
89.02320	5.9
94.83251	4.5
95.04902	8.6
97.02818	11.0
99.04411	5.0
99.05381	3.8
101.02332	7.0
109.02826	14.4
111.00734	8.4
113.02338	5.2
119.04868	11.3
121.02863	8.6
123.04401	7.9
125.02345	30.8
129.09109	11.4
135.04401	7.7
137.02321	11.9
137.05927	4.1
139.00253	11.1
139.03889	10.1
140.01019	6.8
141.01877	17.3
145.11441	3.3
149.02400	5.3
151.03862	12.9
153.01820	10.9
155.01564	5.8
161.02263	3.9
161.04510	4.8
163.00302	3.4
163.03941	4.6
165.01793	11.0
165.05475	5.0
167.03404	54.1
169.01360	5.5
177.01852	4.3
179.03397	30.4
182.02158	7.2
183.02922	37.1
188.78856	3.7
189.01877	4.6
189.05547	6.3
190.02571	4.1
191.03355	5.3
193.01234	4.9
195.02960	17.0
197.04413	6.5
203.03441	3.9
207.02925	13.7
209.04454	16.3
213.04086	4.2
221.04471	13.5
229.04024	4.1
229.14427	30.2
233.04510	10.3
243.02882	10.2
257.03821	4.3
258.03647	3.8
285.03552	3.9
285.07739	5.6
287.01941	12.6
288.06384	7.3
289.07269	8.4
303.07178	7.4
303.21680	9.7
313.07202	11.5
315.08667	5.6
327.08551	7.1
331.04486	6.4
331.08243	100.0
332.08456	7.2
351.09793	3.6
361.09354	10.7
363.12762	12.2
398.98788	3.6
405.11722	4.9
423.12918	7.0
451.12497	79.0
452.12524	4.6
477.56830	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	451.329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04153	0.1
52.70306	0.1
55.20496	0.1
58.02837	0.3
59.01239	0.3
64.29992	0.1
65.56103	0.1
67.38840	0.1
68.69849	0.1
71.01245	0.2
72.04430	0.2
79.36575	0.1
80.04926	0.4
81.03330	8.9
82.03673	0.3
83.04895	26.8
83.95190	0.1
84.05228	0.7
91.61951	0.1
98.20551	0.4
100.07568	0.3
107.06026	1.0
108.04438	1.0
111.11600	0.1
120.01151	0.2
123.51809	0.1
125.02353	0.1
125.07097	3.4
126.05495	0.5
143.08177	1.7
151.00307	0.2
159.04381	0.1
161.02258	0.1
166.12320	0.2
174.95473	0.1
178.99777	0.2
183.14900	0.1
189.01877	0.2
190.02635	0.3
193.01337	0.2
203.03398	0.4
205.05087	0.2
207.14975	3.2
208.13341	0.3
208.15286	0.3
215.03334	0.1
224.17650	4.8
225.16040	13.4
226.16396	0.9
229.44821	0.1
231.02943	0.3
233.04532	0.7
242.18695	1.8
243.02985	0.4
250.15523	0.3
259.02466	0.3
261.04044	0.2
268.16684	0.2
271.02612	0.1
284.29849	0.1
287.01920	1.6
288.02539	0.4
289.03418	0.2
290.22577	0.3
304.02145	0.2
306.22104	0.2
307.23914	0.3
309.21875	0.4
311.01999	0.1
324.26563	1.9
325.26898	0.3
333.22928	4.6
334.23239	0.5
339.27789	0.3
341.29291	0.3
349.25836	0.2
351.24017	1.2
367.27002	1.1
368.27515	0.2
385.28177	0.5
406.30383	0.2
433.31799	6.6
434.32236	0.9
451.32867	100.0
452.33203	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	451.1032
Annotation	Epigallocatechin 3-O-p-coumarate
Peak:m/z	Relative Intensity
57.03323	12.9
59.01243	4.1
68.00911	1.4
69.03345	1.2
77.03827	1.2
81.03341	2.0
83.01263	6.2
86.72053	1.0
93.03321	5.1
95.04941	1.7
97.02811	1.3
104.62094	1.0
105.03365	2.1
109.02825	7.3
112.33683	1.0
117.03362	6.9
119.04910	23.4
121.02832	2.2
121.79596	1.3
123.00830	2.2
124.01575	3.1
125.02335	100.0
126.02663	3.1
130.87404	1.0
132.02023	1.5
135.04474	1.1
137.02339	50.5
138.02859	2.0
139.03900	8.9
141.40370	1.0
144.07552	0.9
145.02843	19.8
146.03194	1.1
147.04401	1.8
149.02344	1.5
149.05957	1.4
159.04349	1.4
161.02335	26.3
162.02768	2.5
163.03918	14.9
164.01064	3.3
164.04298	1.7
165.01845	28.4
166.02266	1.9
167.03404	8.8
167.07045	3.2
175.03882	2.8
175.24719	1.1
177.01874	2.6
177.05519	4.8
178.44289	1.1
179.03383	7.0
185.23752	1.1
187.03870	1.2
189.01807	1.6
191.07008	1.1
197.05939	1.4
201.05255	1.8
203.03416	2.5
217.01352	1.8
219.06526	6.9
221.04547	2.3
225.05493	1.3
243.06630	2.2
261.07635	1.7
269.04611	2.4
269.08157	12.8
270.08466	1.4
281.08221	8.3
285.07617	8.4
286.04712	1.4
287.05527	3.5
294.78601	1.1
305.06638	62.4
306.06900	6.9
311.05478	2.4
325.07281	3.2
326.07614	1.4
357.06308	2.9
407.11200	1.5
451.10397	7.2
452.10733	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	3.3
63.02253	1.3
65.00187	3.0
69.03329	0.7
69.61388	4.8
71.01244	1.8
83.01260	1.8
85.02838	1.2
89.02298	0.8
93.03384	0.8
95.01273	1.3
96.36165	0.7
97.02836	0.9
107.01250	3.4
107.04893	0.9
109.02813	3.2
111.00737	1.5
115.05405	1.2
117.03362	1.0
119.04946	1.0
120.74737	0.7
121.02770	1.3
123.00720	2.2
124.01528	2.2
125.02290	4.9
130.04106	1.0
131.04965	1.8
133.02824	3.0
135.04411	0.9
143.04910	2.4
145.02812	1.3
145.06366	1.0
146.03630	1.8
147.04416	1.7
149.02423	1.5
151.00272	14.1
152.01070	3.7
153.01794	0.9
154.44125	0.8
158.03687	0.9
159.04420	4.8
161.02362	2.8
161.05948	1.7
162.03056	0.7
163.00240	1.0
163.03856	1.8
166.99757	1.4
169.01242	1.4
171.04382	1.9
173.02338	1.6
174.03030	1.8
175.03868	3.5
176.01041	1.2
177.01787	2.4
177.05481	2.1
178.99770	7.4
187.03918	6.2
189.01836	3.9
190.01254	1.0
190.02654	12.3
191.03384	2.1
192.00478	1.0
193.01396	6.3
194.99260	1.6
199.03889	1.0
201.01860	2.0
202.02599	2.3
203.03421	19.9
204.03780	1.3
205.01355	4.7
205.04996	4.2
213.01762	1.2
215.03462	6.9
217.01321	2.1
218.01920	1.2
219.02956	3.4
229.01392	1.0
230.02197	4.8
231.02939	21.5
232.03413	1.5
233.00812	1.9
233.04507	34.4
234.04875	3.2
243.02946	26.2
244.03200	1.4
245.00931	1.0
246.01572	1.3
247.86418	0.8
258.01807	0.9
259.02432	26.5
260.02744	2.0
261.03970	6.4
274.01147	1.5
287.01959	100.0
288.02301	8.5
304.02243	7.5
304.99768	1.2
305.02975	7.9
362.27469	0.8
441.52579	0.8
451.08765	10.5
452.08441	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96953	0.4
55.01755	1.1
57.03314	0.8
58.00467	0.8
58.02858	0.6
59.01249	12.1
61.98700	0.4
68.24828	0.3
69.03309	0.7
71.01253	11.4
71.05859	1.0
72.01575	0.4
72.99142	0.9
73.02811	4.1
74.02347	1.5
75.00745	3.0
81.03352	0.4
83.01257	2.7
85.02821	4.9
85.99958	0.5
86.02372	1.0
87.00767	1.2
89.02312	3.1
95.01265	0.9
97.02847	0.5
99.00755	1.9
99.05500	1.9
101.02326	6.3
102.02640	0.6
102.05523	0.4
111.00752	0.9
113.02326	2.7
114.02625	0.5
119.03374	0.9
124.01550	0.7
125.02345	1.6
127.05017	0.4
128.03435	5.7
129.09149	0.4
131.03377	0.4
135.05565	0.6
139.04022	0.4
141.12799	0.9
143.04520	7.6
145.02876	1.1
146.04460	0.7
149.04291	2.1
159.02788	0.4
166.09784	0.7
171.04140	0.4
177.03728	2.5
179.04485	1.1
210.08815	1.8
211.13339	0.6
221.18973	0.4
236.60770	0.4
241.21692	0.5
254.07735	4.3
258.01718	0.8
259.02567	0.6
269.21207	1.8
271.02542	0.6
272.08865	5.3
285.20609	0.6
287.22272	30.7
288.22580	3.1
302.03632	0.5
303.00986	0.5
316.02267	1.4
317.02747	0.5
317.19476	0.6
329.23331	0.6
431.26343	1.6
432.26208	0.4
449.07391	1.6
449.27557	100.0
450.13513	2.0
450.27951	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	451.0707
Annotation	glycosmisic acid sulfate
Peak:m/z	Relative Intensity
52.58825	0.2
55.09485	0.2
57.03317	0.6
59.01254	0.9
61.98698	3.3
68.02675	0.2
69.03344	0.2
69.15864	1.7
69.16282	0.5
71.01247	0.6
72.00861	0.2
73.02854	0.2
78.95727	0.2
79.95606	4.7
80.10085	0.2
81.03352	0.2
83.01250	0.5
89.02317	0.4
90.92372	0.2
93.03318	0.2
95.98499	0.2
96.95887	100.0
97.02790	0.2
97.95797	0.4
101.02309	0.3
108.02022	0.2
109.02838	1.9
110.97462	0.3
119.04942	0.2
121.02834	0.4
123.04405	0.7
125.02331	2.8
132.49590	0.2
133.02855	0.8
135.04410	2.5
137.02344	4.6
138.02650	0.2
139.03937	0.2
145.02805	0.4
147.04410	0.3
150.03192	0.3
151.03885	0.6
157.06493	0.4
159.04416	0.7
160.05177	0.4
161.01060	0.3
161.02345	2.4
161.04533	0.2
161.05923	0.4
163.03854	0.2
165.01796	0.2
167.03397	0.3
168.69785	0.2
175.03891	0.2
179.03407	2.5
188.04683	0.3
189.01895	0.4
190.02530	0.3
191.03456	0.4
191.07062	0.2
203.03471	0.5
203.07062	0.2
205.05061	0.2
217.01280	0.2
232.03712	0.2
233.04539	0.7
239.07051	0.3
243.02904	0.3
245.01274	0.3
245.08220	0.3
249.05635	0.2
252.04143	0.2
259.02365	0.4
267.06607	1.5
268.07303	0.2
269.08231	1.3
271.05984	0.4
281.08167	0.4
282.08966	0.4
287.01990	0.4
289.07141	1.7
305.02902	0.2
326.07950	0.8
327.08432	0.4
341.06570	0.2
341.10208	0.6
363.12750	0.2
371.10971	0.3
371.15228	0.3
407.10803	0.3
444.28723	0.2
451.06937	25.8
452.07217	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	449.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82108	0.3
51.33310	0.3
52.73671	0.4
54.65567	0.4
55.01750	0.5
57.03307	1.2
58.00467	0.3
58.02842	0.9
58.57375	0.4
59.01250	10.9
61.98699	0.8
69.98069	0.3
70.60963	1.0
71.01253	11.8
72.99177	1.0
73.02829	2.8
74.02349	1.7
75.00749	3.6
78.53778	0.4
83.01258	2.9
84.54131	0.3
85.02822	5.8
85.99962	0.4
86.02337	1.0
87.00756	1.5
89.02315	3.4
91.02700	0.4
93.03363	0.6
95.01237	1.0
97.02847	0.7
97.31126	0.3
99.00743	1.6
99.05518	1.2
101.02311	6.4
111.00742	0.7
112.42046	0.3
113.02335	3.1
119.03410	0.5
122.75090	0.4
124.01533	0.4
125.02326	1.4
128.03421	5.6
129.01836	0.5
131.03453	0.4
135.05528	0.8
141.12753	0.6
143.03456	0.3
143.04517	6.4
145.02849	0.9
149.04247	1.3
155.14262	0.4
159.02913	0.4
161.04503	0.4
167.08107	0.4
173.04465	0.5
177.03702	2.0
178.99875	0.5
179.04568	2.1
191.05582	0.6
193.01233	0.4
197.05661	0.4
210.08777	1.5
211.13351	0.8
212.13721	0.5
241.21638	0.6
254.07802	3.7
259.02533	0.6
269.21155	2.9
271.02548	1.0
272.08911	4.4
283.19119	0.6
285.20755	0.7
287.01984	0.5
287.22278	30.6
288.22607	2.4
296.13406	0.4
316.02155	1.9
317.19769	0.5
318.19910	0.5
329.23553	0.4
340.82922	0.4
357.23148	0.5
399.18390	0.4
431.26459	2.1
449.06970	2.0
449.27563	100.0
450.13565	1.6
450.27875	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	449.2756
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01749	1.1
57.03320	0.8
58.00463	0.5
59.01248	14.7
61.98692	0.5
69.27802	1.3
69.28223	1.4
71.01252	10.3
72.99174	1.1
73.02814	3.0
83.01250	2.7
85.02823	4.3
85.99993	0.5
87.00748	1.9
87.87428	0.4
89.02316	2.9
91.36947	0.4
95.01267	1.3
96.95872	0.7
97.02814	0.5
99.00755	1.1
99.08003	0.4
101.02326	6.2
111.00785	0.7
113.02336	2.9
119.03384	0.6
121.02849	4.4
125.02322	0.9
141.12814	0.3
143.03340	0.3
151.00284	0.4
153.00041	1.0
161.04488	0.6
198.78378	0.3
227.07069	1.8
259.02487	0.6
269.21158	1.7
271.02499	0.7
287.01907	0.4
287.13925	2.9
287.22281	23.5
288.22620	2.7
316.02121	0.9
317.19620	0.8
329.15070	0.7
329.23322	0.4
346.12201	1.8
361.14728	0.6
431.26480	3.9
432.26736	0.5
449.07294	1.5
449.27548	100.0
450.27908	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56333	0.2
57.03310	0.2
57.37227	0.1
58.00462	0.2
59.00957	0.3
59.01248	6.0
61.98693	0.3
64.38819	0.2
67.01753	0.2
69.67271	0.7
71.01254	4.0
73.02808	0.6
83.00807	0.1
83.01253	0.6
85.02812	1.0
87.00739	0.7
88.97615	0.2
89.02316	3.8
93.03329	0.5
95.01253	0.2
97.02826	0.2
97.93599	0.1
99.00743	0.3
101.02325	4.7
102.02631	0.2
113.02328	2.1
116.50799	0.2
119.03358	1.1
121.02841	0.6
123.04437	0.2
125.02328	0.4
131.03322	0.2
143.03415	0.4
146.18573	0.2
161.04459	2.1
167.14204	0.2
173.04530	0.4
177.12781	0.2
179.05476	0.8
183.13826	12.5
184.14154	0.8
192.21559	0.2
195.13832	11.7
196.14198	0.7
211.13394	0.9
212.13701	0.3
213.14899	100.0
214.15233	7.1
235.08183	0.3
253.09254	20.0
254.09523	1.1
269.08170	0.7
271.02612	0.5
300.02557	0.2
300.26910	0.2
316.02255	0.7
369.13629	0.3
389.21866	0.3
449.07697	0.5
449.22363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.3
61.98690	2.4
71.34241	2.3
78.95772	7.6
89.86096	1.1
114.52978	1.1
117.03338	15.1
119.04910	25.7
120.05232	1.2
121.02826	3.0
145.02850	100.0
146.03217	4.7
163.03905	18.7
167.07024	1.4
181.16545	1.0
194.68756	1.1
243.42538	0.9
248.37953	1.0
264.35339	0.9
267.19766	1.5
271.19028	1.0
283.06259	1.6
285.20850	6.5
316.33194	1.0
431.24350	47.0
432.24673	7.5
449.07269	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	449.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03322	0.8
59.01254	5.1
69.03333	0.7
69.24992	1.3
69.25406	4.8
78.39410	0.6
78.95777	3.5
78.96168	0.5
92.07507	0.6
93.03320	1.4
97.06440	0.6
99.04413	1.2
101.15882	0.7
107.04906	2.4
109.02856	1.5
113.02347	0.9
113.05965	1.9
121.10107	2.5
125.02342	4.2
125.05973	0.8
131.04936	1.0
137.02344	2.4
138.03128	13.5
139.03873	1.1
141.05473	9.9
145.06528	1.6
146.36841	0.7
147.07990	0.9
149.09586	0.9
152.04643	1.6
153.05478	100.0
154.05785	4.1
161.09624	1.8
162.10403	1.2
167.07048	3.6
171.11746	0.7
173.09755	0.7
175.11212	2.0
179.07054	1.0
183.06569	7.9
183.08067	1.2
184.03677	0.8
185.09669	9.5
195.06497	3.6
197.09616	0.8
221.11838	1.1
251.25116	0.6
253.15942	33.7
254.16345	2.8
263.12885	1.5
297.11392	2.0
305.14014	1.1
449.23303	55.2
450.23666	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	449.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19399	0.6
52.85629	0.5
53.04518	0.5
55.01747	0.8
55.51867	0.5
57.03326	0.5
59.01252	4.9
59.77527	0.5
71.01252	0.9
91.05428	0.9
93.03325	1.5
97.02790	0.7
99.04400	1.2
101.02328	0.6
107.04903	2.8
108.02039	1.0
109.02842	2.0
111.28326	0.5
112.35251	0.5
113.05972	1.7
119.04917	0.6
121.10114	2.6
121.92576	0.6
123.08103	0.6
125.02327	3.8
125.05943	1.1
131.04959	1.5
135.04413	0.7
137.02332	2.0
138.03134	13.8
139.03851	0.7
139.71851	0.6
141.05460	10.4
145.06485	1.1
147.08049	1.0
149.09636	1.9
152.04672	0.7
153.05479	100.0
154.05801	4.2
161.09630	1.6
162.10414	0.9
167.06999	0.7
171.11624	1.2
175.11206	1.6
179.07074	1.3
183.06538	6.7
183.08142	1.9
185.09654	8.1
193.05005	0.8
195.06522	4.9
253.15961	33.0
254.16281	2.5
258.01321	0.6
297.11307	3.3
449.23306	53.4
450.23633	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	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
57.70840	0.6
59.01247	61.2
65.00179	2.4
65.33627	0.5
69.38769	1.0
69.39104	4.8
71.01252	3.1
73.02806	1.4
79.65036	0.6
82.38557	0.6
83.01224	1.2
85.02848	0.9
88.14394	0.5
88.37218	0.7
89.02316	1.5
99.04386	1.0
101.02298	1.3
107.01285	2.8
108.35709	0.5
109.02847	0.7
113.02317	1.8
125.02325	2.0
135.04408	13.5
151.00267	15.7
161.02353	0.6
161.04478	0.7
165.01718	0.6
165.12708	1.4
167.03418	0.8
175.00212	1.0
193.01486	0.6
195.02943	0.7
207.13817	2.5
209.11794	4.6
225.14896	6.6
227.12843	27.9
228.13136	2.0
251.12878	1.0
269.13910	8.7
270.14398	0.7
271.02417	2.4
287.02249	1.0
287.05679	15.3
287.14987	100.0
288.05960	1.4
288.15353	9.4
311.15048	1.0
316.02176	4.3
317.02786	0.7
329.16025	2.4
373.16513	0.6
389.18005	0.7
449.06796	3.1
449.20279	4.7
449.30966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.15
Annotation	Suvorexant
Peak:m/z	Relative Intensity
52.83232	0.4
59.01240	3.2
62.96277	27.6
69.51611	0.4
76.70901	0.5
78.95776	63.4
80.97338	35.2
149.00000	16.4
179.01065	1.9
181.01279	0.5
205.15906	9.8
206.16211	0.7
211.13434	0.7
242.98221	5.9
258.01672	0.7
259.02286	1.0
285.12656	1.8
316.02350	1.0
355.16772	19.2
356.17075	1.6
385.17819	23.3
386.18283	2.0
430.52505	0.5
449.14954	100.0
450.15353	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	449.109
Annotation	3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
51.33702	0.8
57.03320	4.1
59.01246	4.0
63.49305	0.8
65.00190	1.5
65.68246	0.8
69.34354	0.7
69.34637	8.1
81.03332	2.5
83.01255	3.6
93.03330	3.4
96.95901	1.0
99.04401	1.1
107.01264	3.7
109.02839	1.6
121.02830	2.1
123.04388	2.5
124.01546	2.5
125.02336	38.0
132.42531	0.9
133.02835	2.6
137.02365	1.7
139.03911	1.4
149.02345	1.9
151.00275	13.9
152.01021	4.1
153.01796	5.7
154.01366	2.2
155.01694	1.1
158.03569	1.1
161.02357	1.3
161.04448	1.6
165.01826	2.5
167.03384	3.4
169.01230	2.0
172.05132	2.3
173.06036	7.6
174.06409	1.1
175.00291	1.5
175.03967	1.8
177.05458	2.4
178.99779	16.4
181.01326	2.4
187.07431	1.2
195.03044	1.1
199.07487	1.1
200.04778	1.3
201.05455	2.6
210.00865	0.9
215.07065	12.3
241.05031	1.9
243.06583	6.6
259.06097	100.0
260.06454	7.9
269.04514	6.6
273.07706	1.6
283.06097	15.4
284.06491	2.0
287.05609	44.1
288.05933	4.1
301.07166	9.3
311.05716	1.2
313.07095	3.3
329.06647	1.4
361.09229	1.8
421.11377	12.9
422.11887	1.6
449.10870	3.8
450.10880	1.3
453.19748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.13207	0.6
55.30458	0.8
56.07309	0.6
57.03325	12.9
59.01250	13.8
59.74915	0.8
61.98706	23.8
63.02261	1.2
65.00212	3.6
67.01739	0.8
68.99682	0.6
69.19046	1.9
69.19467	5.7
71.01241	3.4
73.02825	1.3
79.95613	5.4
81.03331	3.0
83.01260	10.0
84.01557	0.8
85.02818	2.3
89.02333	2.3
89.57034	0.7
93.03350	3.5
95.01279	1.1
96.95889	13.2
97.02835	1.3
99.98599	0.7
101.02335	3.4
107.01266	6.0
107.04906	1.7
109.02847	2.2
113.02315	2.3
117.03371	2.6
121.02798	3.7
123.00770	1.3
123.04450	1.6
124.01527	1.8
125.02335	100.0
126.02667	3.2
133.02844	1.4
137.02336	1.6
139.00267	1.9
139.03877	2.3
142.57835	0.7
149.02350	8.8
151.00278	26.9
151.03867	1.0
152.01064	6.3
153.01857	10.8
156.05728	0.7
157.06560	1.0
158.03596	0.7
159.04393	1.5
161.02391	0.9
161.04456	2.4
163.00264	2.4
165.01845	7.0
167.03360	2.5
169.01341	1.7
169.06461	1.2
172.05243	1.7
173.06009	5.0
176.01045	1.3
177.05481	2.9
178.98221	1.3
178.99786	19.8
179.03384	6.7
180.03627	0.7
181.01347	0.9
193.01363	1.3
196.05220	1.4
197.05962	1.9
199.03961	1.9
199.07643	0.9
201.05525	2.7
213.05573	0.9
215.07120	4.3
219.06532	1.2
225.05475	3.9
236.22620	0.7
241.05109	2.5
243.06572	5.7
246.99084	2.3
259.06104	87.6
260.06461	7.4
269.04544	81.8
270.04913	7.0
283.06235	1.5
287.05609	64.7
288.06018	6.2
311.05518	2.0
315.07150	1.0
341.05032	0.9
342.06100	2.3
389.21649	8.0
421.11108	1.9
431.09836	1.8
449.10876	79.9
450.11325	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	449.1087
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03316	2.0
58.02838	1.3
59.01246	38.3
60.01588	1.1
61.98703	1.7
63.02270	0.8
65.00192	10.2
71.01265	3.4
73.02821	1.2
74.02365	1.1
83.01258	6.1
85.02811	1.0
89.02309	2.1
93.03320	0.8
95.01245	0.8
99.04525	0.7
99.05499	1.0
101.02329	2.4
107.01270	17.8
108.02104	0.7
109.02808	6.3
109.55544	0.6
110.03130	0.6
110.30321	0.6
113.02360	1.4
113.04243	0.6
119.03371	1.3
121.02813	1.3
121.06500	0.9
123.00737	1.5
123.04430	1.2
125.02339	15.0
126.02631	1.3
128.03400	3.5
131.01294	1.4
134.03609	1.0
135.04408	81.9
136.04707	3.7
137.02312	2.4
143.04503	5.0
149.02278	0.8
151.00266	100.0
152.00545	5.0
153.01823	2.9
159.04347	1.1
161.02362	3.2
165.01790	1.9
165.05447	3.3
167.03374	3.0
169.01349	4.5
175.00252	6.8
175.03987	0.9
177.01822	2.9
179.04594	1.6
193.01355	3.1
201.01865	1.2
205.01425	1.0
207.13855	1.7
209.11807	4.3
210.08655	0.9
225.14885	4.1
227.12825	14.4
228.13110	0.8
230.02165	2.0
231.02794	0.7
238.09413	0.7
242.02213	1.1
243.02896	1.6
251.12785	1.5
254.07903	1.4
259.02499	2.5
262.01205	1.2
269.04492	0.8
269.13837	7.2
270.01718	1.2
270.14249	0.9
271.02493	4.7
272.08899	1.8
287.05606	92.9
287.09012	3.1
287.14966	46.6
288.02713	1.2
288.05884	7.5
288.15247	3.2
293.08661	1.0
303.01321	2.3
303.04703	0.8
306.07095	0.7
311.05508	1.4
313.05701	0.9
316.02158	11.5
317.02795	2.3
329.16132	1.3
375.23822	0.7
423.07706	0.9
449.06641	9.3
449.20270	3.2
450.19159	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	449.0725
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
58.11950	0.3
58.27582	0.3
59.49768	0.4
61.82088	0.4
69.36108	1.2
69.36530	1.7
102.28596	0.3
114.84763	0.4
124.01558	0.8
132.56577	0.3
137.02287	0.8
151.00264	2.4
164.01100	1.2
178.99745	4.2
204.04095	0.4
209.47237	0.4
214.02603	2.2
242.02167	2.5
243.02960	1.8
259.02420	1.7
260.03079	0.5
270.01685	5.2
271.02454	21.5
271.32275	0.4
272.02771	1.5
287.01971	11.5
288.02478	3.1
316.02213	100.0
317.02731	16.4
318.03378	0.5
368.94318	0.4
416.07764	0.4
449.07208	45.6
450.07498	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	447.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61773	0.4
55.90874	0.5
57.03338	0.5
57.74949	0.4
59.01243	1.7
71.01218	0.5
71.32953	0.8
72.88932	0.5
80.14942	0.4
93.03369	0.8
117.03349	16.4
119.04916	49.0
120.05264	1.5
121.02872	0.5
124.16926	0.4
133.02847	1.4
135.04411	2.0
145.02855	100.0
146.03194	4.4
161.02364	6.1
162.02704	0.4
163.03922	37.6
164.04268	1.8
167.07086	1.2
168.07320	0.8
169.07462	0.6
183.13698	0.5
184.73947	0.4
211.13313	2.0
217.14420	0.5
221.19044	7.9
222.19446	0.7
225.56795	0.5
227.14847	0.5
234.41211	0.5
239.20186	0.5
265.18069	5.8
271.02396	0.5
283.19153	10.2
284.19559	0.8
285.20663	0.5
299.11768	0.5
300.02676	0.6
301.03403	0.9
301.20190	21.7
302.20490	1.5
429.22800	0.9
447.23843	54.1
448.24167	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01591	1.2
66.86127	0.4
71.01257	8.7
71.29218	0.9
73.02832	1.9
77.92597	0.5
83.01252	0.7
85.02816	2.9
89.02309	4.7
90.73195	0.5
99.00787	0.8
101.02325	6.4
108.33840	0.5
113.02299	3.8
117.22658	0.5
119.03391	1.3
125.02369	1.3
143.03423	0.6
151.00317	0.9
159.02983	1.0
161.04451	8.8
161.05658	0.7
178.30695	0.5
179.05652	0.5
181.04994	0.5
301.04062	0.6
315.01926	0.6
387.20224	11.9
387.24963	0.6
388.20718	1.4
447.22256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.2
59.01250	5.9
61.17675	0.6
61.98688	0.8
62.16196	0.6
67.24345	0.6
70.06380	1.8
70.06794	1.0
71.01249	0.7
93.03352	0.6
94.15209	0.6
98.20499	0.8
101.02344	0.7
117.03345	16.2
118.03686	0.9
119.04912	54.6
120.05280	2.3
133.02744	0.7
135.04442	0.9
145.02858	100.0
146.03177	4.5
151.00212	0.6
160.26323	0.5
161.02403	3.7
163.03926	39.2
164.04213	1.2
167.07059	1.0
168.07478	0.6
179.03519	0.9
211.13332	5.8
221.19060	8.3
225.15079	0.6
253.09200	0.8
255.02966	1.3
265.18039	6.3
271.02472	1.6
275.30051	0.6
283.19119	9.1
284.03162	1.1
285.03937	1.2
300.02762	3.1
301.03488	2.6
301.20206	20.9
301.23715	1.0
302.20541	1.7
371.98660	0.6
376.00497	0.6
447.09180	1.8
447.23825	49.1
448.24213	7.7
449.87866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.4
57.03325	1.1
58.00467	1.6
59.01251	45.6
61.98699	0.9
69.03331	1.3
71.01254	33.8
71.49243	0.6
72.01592	1.5
72.99191	2.1
73.02817	9.5
81.03349	0.7
83.01260	3.7
85.02823	8.1
87.00761	1.8
89.02315	38.4
90.02641	1.0
94.86606	0.6
95.01270	2.1
95.04906	1.7
97.02859	1.6
99.00754	9.2
101.02322	28.0
107.01272	1.0
109.02856	1.0
111.04435	0.7
113.02322	11.8
113.05996	0.8
114.02798	0.6
115.03899	0.7
119.01373	0.6
119.03394	10.3
125.02320	2.6
131.01743	0.6
131.03398	5.5
139.03885	3.6
143.03394	3.1
148.01477	0.6
149.04451	16.9
150.04723	0.6
151.00272	3.9
151.03877	0.7
153.05478	0.9
159.02969	0.8
161.04443	5.6
163.00270	0.8
167.14249	0.7
167.38858	0.6
178.99724	1.2
179.05568	3.7
181.04935	7.3
183.13834	6.1
191.05545	3.8
191.51140	0.5
193.12270	1.7
211.13333	100.0
212.13638	5.8
226.11021	0.7
227.03517	2.5
233.06628	0.8
235.08119	0.7
241.13379	2.7
242.13872	0.8
243.02972	2.0
251.07700	1.2
253.09258	12.0
254.02176	0.7
255.02962	6.5
256.03586	0.7
271.02493	8.8
272.02890	1.3
284.03091	2.8
285.03915	1.6
285.07635	0.6
285.12463	1.8
300.02747	14.5
301.03503	12.6
302.03806	0.8
305.84012	0.7
315.18097	8.5
316.18503	0.9
327.13416	0.8
344.27234	0.7
447.09167	10.8
447.22272	43.7
448.09760	1.6
448.22510	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	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51944	0.5
59.01249	100.0
59.19520	0.5
60.01592	0.9
69.72240	3.6
71.01255	5.1
85.02838	1.3
85.88136	0.5
89.02314	6.5
97.16328	0.6
98.20446	1.1
101.02335	3.8
113.02332	3.1
119.03365	3.5
125.02332	1.3
132.88460	0.5
143.03447	0.9
143.22174	0.5
151.00319	0.7
161.04436	3.9
164.52811	0.6
179.05534	1.5
185.79572	0.6
189.12830	1.8
207.14008	0.8
342.39465	0.7
379.12225	0.6
387.20197	4.4
447.22205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77925	0.5
55.01763	0.6
56.09103	0.5
57.03318	2.5
57.03597	0.4
57.16307	0.5
58.90960	0.5
59.01246	100.0
60.01588	1.2
62.39537	0.4
62.95237	0.5
64.66487	0.4
65.00191	0.7
70.15711	0.4
71.01245	9.9
71.06837	1.2
72.99159	0.7
73.02825	2.1
73.73618	0.4
83.01257	1.6
85.02811	3.9
87.00757	0.7
89.02306	3.4
92.25218	0.5
95.01285	0.6
97.02872	0.5
97.06490	0.7
99.00786	1.1
101.02316	7.6
104.05015	0.5
107.01266	0.9
107.14716	0.5
109.02866	2.0
113.02321	4.8
117.60394	0.5
118.92115	0.5
119.03416	1.3
121.02824	0.5
125.02332	15.1
137.02364	3.1
149.02359	1.0
151.00313	1.6
153.01846	1.2
159.02895	1.4
159.06543	1.6
161.02394	4.7
161.04442	10.2
167.03482	1.0
169.01363	1.7
175.03983	0.5
177.01924	0.9
177.05568	0.5
178.99759	0.6
201.05450	0.6
203.03423	0.7
211.13380	0.8
225.11519	0.6
255.03148	0.7
269.04675	1.6
284.03314	2.9
285.03952	3.6
287.05588	1.5
305.06738	1.1
319.04410	0.6
374.04483	0.6
387.20215	15.3
388.20801	1.8
447.09158	3.3
447.22836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.2
56.32997	0.2
58.00486	0.2
59.01250	5.2
69.03316	0.3
71.01252	3.4
73.02826	0.9
80.55105	0.2
83.01259	0.6
83.04913	0.3
85.02824	0.7
87.00768	0.4
89.02318	3.1
95.01259	0.2
97.02789	0.2
98.20672	0.3
99.00754	0.3
101.02324	3.6
113.02339	1.6
119.03384	0.7
121.02814	0.2
125.02290	0.2
133.04916	0.2
139.03915	0.8
143.03334	0.3
161.04440	1.4
165.12732	0.2
167.10716	0.2
167.14340	0.6
178.99863	0.2
179.05536	0.5
183.12198	0.4
183.13828	6.9
184.14117	0.5
193.12289	2.1
204.99704	0.2
211.13335	100.0
212.13673	6.8
215.10966	0.2
235.08199	0.4
243.03111	0.2
253.09251	12.5
254.09605	0.6
255.03065	0.9
271.02499	1.0
284.03134	0.2
285.04034	0.3
300.02805	1.4
301.03479	1.2
315.18341	0.2
447.09039	1.1
447.22284	1.7
448.23007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.7
57.03315	1.6
58.00467	4.1
59.01249	92.4
60.01592	1.1
66.73403	0.5
69.03314	1.1
69.22390	5.7
71.01252	69.3
72.01584	1.1
72.50655	0.6
72.69072	0.6
72.99170	4.5
73.02817	18.6
75.00767	0.7
79.95609	0.7
83.01250	3.6
85.02824	10.8
87.00745	3.4
89.02316	100.0
90.02659	1.6
91.80495	0.6
95.01256	3.6
95.95068	0.6
96.95898	5.6
97.02808	2.2
99.00758	22.3
100.01120	0.8
101.02322	47.4
102.02686	0.7
103.10234	0.6
109.02836	0.8
113.02326	18.2
115.03897	1.4
119.03389	21.0
125.02348	6.0
131.03397	16.2
131.04388	0.6
143.03392	3.6
149.04459	48.2
150.04816	1.0
151.00264	1.0
159.81226	0.6
161.04462	7.6
174.83679	0.6
174.85594	0.5
179.05528	7.1
183.13828	2.2
184.03653	0.5
191.05518	12.2
193.12262	0.7
211.13336	50.7
212.13660	2.7
221.06644	1.8
221.43205	0.6
233.06616	1.8
243.02997	0.7
251.07669	3.8
253.09262	5.7
255.02937	2.3
271.02426	2.4
285.04095	0.7
293.08844	0.9
300.02759	4.2
301.03729	3.2
315.18140	7.9
447.09146	4.0
447.22314	31.5
448.14993	0.8
448.22641	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
57.26683	0.5
63.02260	0.7
64.38585	0.6
70.89262	1.4
76.45449	0.6
82.96233	0.6
83.01221	0.6
83.27758	0.5
90.24702	0.5
107.01279	3.6
108.02071	0.9
109.02821	2.3
121.02851	3.2
122.03217	0.5
148.01538	1.2
151.00273	15.5
163.00281	3.3
178.99785	9.7
193.01195	1.0
198.03098	0.6
199.03967	0.7
201.05502	0.8
211.03975	1.4
223.09097	0.6
226.02612	1.0
226.06195	0.5
227.03410	2.6
229.05000	1.9
239.03453	0.9
243.02946	7.0
244.03400	0.9
245.04529	2.3
254.02113	1.6
255.02974	22.9
256.03360	1.6
271.02472	35.7
272.02887	5.5
273.03992	2.2
283.02463	3.0
284.03201	0.8
297.55624	0.6
299.02075	1.8
300.02737	100.0
301.03476	81.3
302.03854	5.8
311.36954	0.5
316.87039	0.6
447.09305	64.5
448.09641	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43250	0.2
59.01234	0.7
62.96273	1.5
69.20127	0.2
70.78183	0.5
71.01238	0.2
73.69997	0.2
78.95771	39.7
89.67493	0.2
96.96837	2.5
117.84765	0.2
148.99988	19.4
150.00356	0.4
151.01541	0.3
158.92433	1.8
177.50076	0.2
179.01074	2.4
205.15916	1.4
206.16240	0.2
210.63605	0.3
211.13335	3.2
217.72002	0.2
218.05310	0.2
219.16515	0.2
267.11450	0.6
301.03479	0.5
347.08139	0.5
380.17392	0.2
417.12030	0.6
431.10196	2.6
432.10474	0.4
447.13394	100.0
448.13782	12.1
464.09979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2593
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
59.01241	1.7
61.98688	0.8
71.50213	0.4
71.50637	0.5
75.68024	0.4
79.01764	0.9
89.02300	0.5
89.40295	0.5
99.08025	1.2
108.08541	0.5
117.03347	23.8
118.03651	0.6
119.04912	23.5
120.05233	1.0
121.02847	7.3
123.04398	2.4
123.08043	3.8
124.08369	0.6
133.02811	1.4
134.03625	0.5
145.02852	40.2
146.03180	1.7
149.05998	2.5
153.09131	0.5
162.03119	1.4
163.03915	7.2
166.05447	0.4
166.21490	0.5
167.07048	8.9
172.61217	0.5
173.21838	0.5
174.15637	0.4
177.05470	3.7
179.03413	0.6
193.04985	1.6
267.19565	0.6
277.21805	1.2
324.96481	0.5
329.14462	0.5
361.15179	0.7
376.56519	0.5
413.23441	3.1
429.21393	0.7
445.25909	100.0
446.26221	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	447.0931
Annotation	Quercetin-7-O-rhamnoside
Peak:m/z	Relative Intensity
59.01247	0.6
63.02275	0.5
63.06955	0.2
63.99598	0.3
69.49546	0.7
69.49959	1.2
75.02396	0.3
98.57150	0.3
107.01233	0.7
111.74605	0.3
125.02325	0.5
132.02049	0.4
135.00772	0.4
151.00252	2.7
159.04338	0.4
163.00266	0.7
169.06419	0.3
171.04372	0.3
174.03123	0.5
178.99815	0.6
183.04417	0.8
185.05956	0.6
187.03906	0.8
187.60316	0.3
205.91835	0.3
206.98759	0.3
211.03917	2.1
213.05302	0.5
227.03439	70.3
228.03783	4.8
229.04939	1.6
239.03497	0.8
241.05132	0.4
255.02957	84.9
256.03506	13.2
257.04593	1.4
283.02417	0.6
284.03244	71.6
285.03925	23.1
286.04318	1.9
315.01462	0.6
327.05099	1.3
447.09296	100.0
448.09650	13.6
448.15991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
55.01758	2.2
57.03314	2.7
58.00474	3.2
59.01251	61.5
69.03323	2.8
69.31022	2.9
69.31430	1.3
71.01253	77.2
72.01604	1.4
72.99195	3.5
73.02818	23.1
75.00748	1.8
75.49571	0.4
78.85462	0.5
81.03329	1.3
83.01250	5.4
83.04890	0.8
84.69810	0.5
85.02827	17.4
87.00756	1.7
89.02319	100.0
90.02645	0.9
92.56915	0.5
95.01267	2.2
96.75834	0.4
97.02834	4.7
97.88728	0.4
99.00759	28.1
99.04408	1.1
100.01120	0.9
101.02323	43.5
102.02672	0.7
102.32973	0.5
111.00779	0.7
113.02336	15.4
114.02721	0.5
115.03915	2.2
116.04272	0.6
119.03394	3.0
125.02340	11.9
126.02681	0.4
131.03398	16.6
133.10133	1.7
143.03387	2.2
149.04460	50.5
150.04774	1.5
151.11197	7.3
158.58490	0.6
159.02837	1.4
161.04468	8.4
191.05559	13.6
192.05850	0.8
209.11572	0.6
210.85345	0.5
221.06575	1.0
233.06660	7.6
234.06938	0.5
251.07623	1.6
293.08795	5.1
375.93539	0.4
445.20520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53202	0.5
55.01755	1.2
57.03316	4.4
59.01256	2.6
61.98700	3.5
63.21005	0.3
71.49116	0.5
73.02806	0.4
76.58086	0.4
78.32610	0.4
78.64079	0.4
79.01775	0.6
79.37907	0.4
83.40015	0.4
91.70216	0.4
92.07879	0.4
96.99171	0.4
97.02850	1.7
99.08028	22.4
100.08383	0.5
109.31646	0.4
111.08018	0.5
112.98210	0.4
115.05456	0.4
123.08076	0.9
125.05984	0.6
143.04916	2.5
149.06017	0.9
151.07718	0.4
152.04689	4.0
153.09148	0.5
167.07048	100.0
168.04202	1.7
168.07381	4.6
171.04369	0.7
172.04655	0.4
177.09178	0.7
183.06563	5.3
193.05006	1.3
206.05750	0.7
211.11224	0.6
221.04582	0.4
221.08145	1.1
233.09636	0.9
253.12306	1.2
258.18146	0.5
279.19650	0.7
297.11230	2.8
300.10077	0.5
314.11429	0.5
357.18585	0.7
369.16980	0.5
382.07901	0.5
401.17651	1.3
413.16257	1.0
442.55414	0.5
445.06787	1.5
445.16537	51.3
445.25369	4.5
446.16837	9.6
446.26221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.8
56.71227	0.2
57.03321	3.9
59.01247	0.7
66.52321	0.2
67.97006	0.2
68.99690	0.3
71.01219	0.2
71.20003	0.4
79.01756	3.9
79.05415	0.3
81.91378	0.2
85.82823	0.2
87.04382	0.5
93.03358	0.2
95.04877	0.3
97.02824	1.7
97.06465	0.3
99.08033	25.0
100.08377	0.7
107.04903	0.3
109.02830	0.4
111.04396	0.5
115.05439	0.2
119.04932	0.5
121.06486	1.0
123.08049	3.6
125.05977	1.0
141.06943	0.2
145.06529	0.4
147.04402	0.8
147.07906	0.2
149.05975	4.7
150.03102	0.5
150.08061	0.2
151.03874	0.5
152.04694	3.2
155.08501	0.2
156.05719	0.4
159.08054	0.6
163.07547	0.2
164.08356	0.6
165.05482	0.5
166.06259	0.6
166.19724	0.2
167.07048	97.2
168.07388	4.8
169.10130	0.3
171.04440	2.1
172.04620	0.2
173.09616	0.8
178.02618	0.3
179.06960	0.3
183.08061	1.2
183.11667	0.2
193.04991	10.3
193.10167	0.7
194.05313	0.5
197.09718	0.3
205.10132	1.0
207.11739	0.6
208.07341	0.7
209.09761	0.4
209.11647	0.4
211.11224	0.7
223.11234	0.3
233.09639	2.2
237.09171	0.4
245.09633	0.3
253.12329	3.4
254.12671	0.4
255.10204	0.4
258.10559	0.3
265.12271	0.4
274.82928	0.2
275.10834	0.8
277.08740	0.8
297.11310	17.8
298.11655	2.1
299.14374	0.3
301.16104	0.2
314.13165	1.1
328.14569	0.3
331.13184	1.0
339.17532	0.2
345.15005	0.7
357.18524	0.9
358.18805	0.3
361.14761	0.2
383.16431	0.2
401.17572	7.2
402.17725	1.1
431.54660	0.2
445.16544	100.0
446.16882	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	445.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.8
57.03325	5.6
57.83199	0.2
59.01251	2.4
68.99678	0.3
75.97772	0.2
79.01765	7.2
81.55211	0.2
87.04405	0.4
97.02838	1.4
98.19837	0.6
99.08033	22.6
100.08412	0.6
109.02840	0.7
111.01949	0.3
111.04411	0.4
119.04939	0.3
121.06487	1.0
123.08062	2.4
125.05943	0.7
141.57956	0.3
147.04420	0.7
149.05980	8.5
150.03114	0.7
150.06325	0.3
152.04712	2.7
159.08061	0.6
166.06168	0.3
167.07048	100.0
168.07396	5.0
171.04431	2.6
173.09637	1.0
178.02599	0.7
183.08031	1.4
191.03458	0.5
193.04988	9.8
194.05321	0.7
195.08229	0.3
200.08452	0.3
206.05748	0.5
211.11128	1.3
218.16866	0.3
229.12271	0.5
233.09674	0.7
253.12309	6.6
254.12735	0.6
255.10109	0.5
275.10651	0.4
277.08649	0.4
297.11307	33.1
298.11667	3.6
345.15063	0.6
346.14780	0.3
355.16803	0.5
401.17517	2.7
402.18066	0.4
413.45587	0.3
445.16547	70.4
446.16888	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	445.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13716	2.3
59.01245	34.6
59.52655	2.3
61.98706	7.5
65.00195	5.1
71.01269	9.8
72.99186	4.5
73.02813	5.5
75.00748	38.9
77.17467	2.4
85.02832	3.1
89.02311	15.7
96.42267	2.5
96.95850	2.7
101.02331	6.8
106.00497	4.0
107.01241	3.7
113.02385	4.3
117.01815	2.7
117.03354	4.0
119.04913	56.6
125.02341	13.6
125.63590	2.3
134.00012	4.5
135.00751	5.1
135.02890	73.5
137.02371	2.9
149.02371	2.4
151.00266	8.0
161.02328	3.5
161.04510	3.0
161.99538	3.8
163.00282	16.7
163.03886	2.7
168.91736	2.6
174.15150	2.5
176.98206	8.8
178.99762	8.6
187.03940	7.2
189.05521	3.2
189.98991	63.1
190.99594	5.7
193.01402	3.7
200.85318	2.7
205.01352	3.2
209.05901	2.7
210.18929	2.4
237.05487	3.1
255.02946	5.3
271.02530	13.0
271.05951	3.4
281.04568	17.0
283.15494	5.2
297.04041	22.5
299.02155	5.0
299.05600	14.2
300.02716	11.5
301.03500	25.1
302.03766	3.0
309.04050	100.0
310.04422	9.9
327.05130	12.0
355.04630	5.7
417.08395	3.2
445.07968	8.0
445.20425	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	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01761	1.6
57.03320	1.2
58.00459	1.5
59.01249	24.5
61.94821	0.3
71.01253	18.5
72.99169	1.3
73.02829	2.9
75.00742	0.3
83.01257	2.7
85.02821	6.9
85.90544	0.3
87.00748	1.0
89.02316	12.8
95.01270	1.5
98.19760	0.5
99.00749	1.1
101.02321	14.7
102.02664	0.6
111.00732	0.5
111.04373	0.8
113.02322	8.0
119.03393	6.4
123.08035	0.6
131.03400	0.6
143.03400	0.4
161.04388	0.8
171.11713	0.6
179.05544	0.5
189.12737	0.7
201.58310	0.4
219.13899	0.4
237.14856	0.7
443.19193	100.0
444.19556	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	443.2799
Annotation	Foetidinol
Peak:m/z	Relative Intensity
70.80920	2.4
107.04864	1.0
116.79878	0.8
123.04385	2.8
125.05963	4.1
151.03926	7.2
152.04593	0.9
152.55379	0.7
166.02623	1.1
177.01877	1.6
179.03398	1.8
180.04179	8.5
207.10289	1.7
208.07274	1.1
217.08649	3.1
221.08038	4.7
222.08844	1.6
235.09700	71.0
236.10379	18.7
237.10791	1.1
247.09753	3.4
249.11293	5.2
261.11246	1.0
379.06772	0.9
443.27991	100.0
444.28357	16.9
457.97324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	13.1
61.98695	1.0
65.00188	2.0
71.01238	3.4
71.49459	0.8
71.49863	1.5
73.02818	1.8
80.40312	0.7
83.01272	1.2
89.02307	3.2
91.01725	1.1
93.03348	1.5
96.07144	0.8
96.95910	0.8
99.17551	0.8
101.02325	1.3
107.01246	4.5
108.02063	1.6
109.02809	3.0
113.02335	0.9
119.01321	0.7
121.02816	4.4
125.02311	4.2
135.00726	1.1
135.59222	0.7
139.03944	1.1
148.01538	2.0
149.02229	0.9
151.00275	16.6
163.00317	3.6
164.01076	1.2
165.05441	1.0
167.03386	0.8
169.01350	2.6
177.01877	1.1
178.99788	9.0
187.03896	1.1
188.05032	0.7
209.11786	1.6
211.03918	2.2
215.03456	1.0
216.04320	1.4
226.02686	1.8
227.03430	4.1
229.01294	0.9
229.04868	1.5
243.02977	12.1
245.04518	2.7
254.02211	3.1
255.02965	23.5
256.03287	2.0
257.04651	1.4
271.02475	58.0
272.03027	4.8
273.03979	2.3
283.02386	2.3
283.15561	1.4
299.02051	2.0
300.02740	73.4
301.03497	100.0
302.03836	7.6
375.75098	0.8
421.41037	0.8
445.07758	44.8
446.07983	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	443.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59537	0.6
54.85413	0.6
55.07758	0.6
59.01244	6.7
63.32269	0.6
65.00208	0.8
68.99683	1.2
71.01255	2.4
71.28909	1.5
72.99181	5.2
75.00744	49.9
76.01082	0.8
79.01759	4.3
87.00745	1.4
89.02325	7.7
89.03870	0.8
95.71902	0.6
98.68824	0.7
103.01787	1.8
117.01841	2.1
117.75974	0.7
121.02853	1.6
123.04430	0.7
135.02888	91.1
135.08012	1.1
136.01534	0.7
136.03206	3.2
145.02855	0.7
147.00772	1.6
149.02324	3.7
161.02339	1.6
163.03871	1.1
164.01086	0.6
165.01817	2.0
171.04420	10.1
172.04776	0.9
173.05989	1.7
175.00273	1.1
177.01834	6.9
178.99730	1.3
179.07054	1.6
179.08640	0.6
182.13995	0.6
183.08090	1.1
189.01924	0.9
190.99777	2.7
191.03307	0.7
192.00476	0.8
193.01353	1.6
204.00647	1.2
205.01295	3.1
206.02124	3.8
207.08073	5.5
209.05997	1.2
209.09612	0.8
219.08163	0.9
223.07561	1.3
225.09149	0.8
234.06923	1.3
235.07649	4.0
237.12834	0.7
251.07182	5.3
252.07536	0.8
253.05229	0.6
253.08548	0.7
263.07294	1.4
267.06540	0.8
269.08185	5.5
279.06610	49.3
280.07019	5.7
281.08167	3.5
293.08258	1.5
295.06131	34.0
295.09558	2.6
296.06503	3.7
297.07660	20.6
298.08026	1.6
307.06110	100.0
308.06491	11.9
309.07587	7.3
310.07953	1.0
321.07581	2.7
323.05621	4.5
323.09003	1.1
325.07095	11.4
325.10849	0.9
326.07565	1.1
335.09256	1.3
337.07071	1.4
351.08698	3.7
353.06558	7.1
353.10309	0.8
354.07104	0.7
381.09540	1.7
397.09204	2.0
399.10675	1.8
399.25327	2.2
425.08804	1.2
443.24683	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	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84060	11.2
59.01254	86.8
59.30410	12.0
67.91832	12.7
71.01231	41.7
71.50571	16.1
89.02303	100.0
99.00751	30.4
101.02309	29.4
125.02330	49.5
131.03410	14.4
143.04533	25.7
145.39253	13.4
149.04446	96.1
161.02383	16.1
169.01305	36.4
191.05605	23.2
272.09244	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	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
51.65593	1.0
55.01760	6.4
57.03318	6.2
58.00451	1.5
59.01249	45.3
62.10461	1.0
69.03317	3.4
71.01250	100.0
71.49563	0.9
71.49896	1.0
72.01578	1.3
72.99168	4.2
73.02399	2.2
73.02812	40.7
75.00729	2.0
83.01254	15.8
85.02820	46.8
85.99965	1.3
87.00743	5.0
89.02311	26.8
95.01263	6.6
96.38307	0.8
97.02841	4.7
97.85617	1.0
99.00755	17.0
101.02317	77.7
102.02651	1.6
103.99094	1.1
108.23551	0.9
111.00745	3.1
113.02327	34.7
115.03886	3.1
119.03355	3.8
125.02332	7.7
129.01823	2.2
131.03377	4.7
141.01859	1.1
143.03383	4.2
149.04434	4.8
152.19623	1.0
159.02884	8.0
161.04459	40.2
191.05516	2.1
205.03435	2.1
233.06630	3.9
293.08813	1.2
311.14975	97.0
312.15338	7.7
355.13934	2.7
443.19189	99.8
444.19485	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	441.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14573	0.3
57.03323	8.9
61.98700	0.8
63.31791	0.4
81.03332	1.4
83.01261	2.7
91.01772	0.4
91.90118	0.3
93.03340	0.5
95.04908	0.9
97.02865	0.3
97.09172	0.3
105.03335	2.6
108.02079	1.5
109.02835	62.2
110.03174	2.4
111.04400	0.4
111.76539	0.3
112.44073	0.3
123.00765	0.8
124.01579	0.6
125.02335	65.0
126.02672	1.8
133.02832	1.0
137.02351	3.5
138.03177	0.4
139.03917	2.0
145.06479	0.3
147.04416	0.5
149.02342	0.6
152.00696	0.3
153.01839	100.0
154.02179	4.0
159.04477	0.4
161.02351	26.3
161.09810	0.3
162.02805	1.2
164.01074	0.8
165.01852	3.1
166.02519	0.4
167.03407	2.8
175.03932	0.7
177.01976	0.6
177.05457	2.7
179.03381	1.6
190.98936	0.3
191.06961	0.4
192.14368	0.3
199.03856	0.4
200.04446	0.4
201.05533	1.0
203.03383	0.5
219.06606	1.6
221.04474	0.7
243.06581	0.7
269.04504	1.8
287.05542	4.5
305.06680	11.0
306.07028	1.2
387.25952	0.3
441.08163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52832	1.6
65.63359	1.6
70.23805	7.9
87.00749	2.3
122.03647	3.3
135.02899	3.3
137.05956	11.3
141.07104	2.1
176.04765	3.5
224.08443	2.1
239.10698	11.5
259.02203	1.7
265.17969	2.1
267.10254	100.0
268.10663	9.5
297.11206	5.7
306.31512	1.6
323.18692	4.4
441.21225	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	441.264
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
50.51952	0.6
52.46056	0.7
69.41006	4.5
69.41412	1.5
85.97182	0.7
96.95887	3.9
123.04436	0.9
124.71391	0.7
133.06497	0.9
135.04469	0.9
135.08017	4.6
146.03571	1.2
149.06010	1.0
161.06003	1.8
165.05482	1.2
166.06206	1.0
167.03290	0.9
177.05482	6.1
178.06197	1.0
179.07050	28.8
180.07497	1.2
190.02678	3.6
191.03387	8.4
192.04085	1.4
192.07793	5.5
193.05013	2.7
193.08508	0.9
195.06523	1.0
205.04942	4.1
206.05734	9.7
207.06497	2.4
219.06497	1.7
223.06029	6.8
231.06577	0.9
236.59274	0.8
237.07643	6.3
238.08395	6.7
245.08226	0.7
259.13321	1.3
270.07379	1.2
270.22772	0.8
365.24722	1.6
371.22122	1.7
379.19208	1.2
381.24503	1.5
394.21402	8.2
395.22058	1.1
409.23877	4.0
441.26395	100.0
442.26797	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	442.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66549	1.5
59.01243	4.0
61.98710	3.2
67.34515	1.4
69.46943	9.8
71.01240	1.6
79.95605	29.7
80.96382	17.7
98.20489	1.9
108.44572	1.7
113.03473	4.8
116.04921	9.3
118.42493	1.5
120.04416	24.8
121.02849	4.5
130.06497	2.3
134.06012	14.0
144.04443	4.4
155.06058	3.8
156.06804	2.4
156.12744	1.7
157.07643	3.7
160.03925	15.2
178.05003	19.4
183.05544	6.1
191.08183	29.4
196.00606	9.7
211.00407	1.6
234.09219	29.1
237.03358	11.1
243.09163	1.9
261.10312	100.0
262.03024	2.0
262.10568	9.0
263.11847	11.3
307.10873	29.7
308.11194	3.8
320.14139	2.2
341.05975	85.8
342.06284	9.0
343.07608	3.0
362.11731	4.6
382.08603	23.9
387.06546	82.6
388.06610	8.3
398.16431	3.2
400.09692	5.2
442.10855	54.6
443.11160	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	437.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	7.4
57.03090	0.5
57.03320	4.8
58.00465	2.3
59.01245	39.8
61.75816	0.4
61.98693	0.8
67.01755	0.5
68.99686	1.0
69.03336	2.2
71.01246	68.1
72.01579	1.1
72.99169	3.8
73.02812	37.9
74.03168	0.6
75.00746	2.2
78.62155	0.3
81.03326	0.8
83.00746	0.8
83.01249	17.4
85.02814	39.4
85.99953	3.1
86.03160	0.6
87.00749	5.2
89.01759	0.9
89.02305	14.1
90.02627	0.5
93.03313	0.5
95.01257	4.4
96.95878	4.0
97.02824	3.5
99.00751	15.0
99.04413	0.6
101.02313	74.4
102.02636	1.2
111.00771	2.7
113.02321	24.2
114.02661	1.1
115.03892	2.5
119.03337	0.6
125.02321	4.5
129.01814	1.8
131.03416	3.7
141.12749	1.1
143.03394	3.0
143.14262	0.6
149.04477	2.2
150.23613	0.5
156.27090	0.4
159.02892	5.1
161.04448	21.7
162.04799	0.5
183.93219	0.5
191.05539	0.9
192.92026	0.5
205.03404	1.1
213.14922	0.8
221.74001	0.5
233.06619	3.7
293.08698	1.1
297.96735	0.5
305.19659	100.0
306.20004	8.4
349.18591	1.3
379.29089	0.4
437.23853	92.2
438.24191	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	438.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.5
60.09319	0.7
61.98701	100.0
63.79052	0.7
65.22248	0.7
70.36440	3.0
83.38815	0.7
96.95897	6.3
104.98409	0.8
177.03375	0.7
193.95705	0.9
213.09192	1.1
214.09567	2.3
215.09708	0.9
216.09998	1.0
229.66562	0.8
349.62204	0.7
406.10782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34772	1.4
77.05569	0.4
77.53719	0.4
78.95777	47.0
79.95604	1.2
89.80232	0.4
96.95885	51.5
96.96831	100.0
165.07330	0.4
177.70515	0.4
274.86179	0.5
308.91364	0.4
396.22632	0.4
410.25388	0.5
428.86127	0.5
439.08588	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	441.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.6
61.39144	0.5
69.03316	1.7
70.87386	1.5
79.01762	0.7
81.03327	1.4
83.01261	1.5
88.22009	0.6
95.01247	1.0
95.04913	0.8
97.02818	2.9
103.85674	0.6
107.01267	2.4
109.02844	8.5
109.03539	1.0
111.00745	0.8
121.02831	0.7
123.00770	1.7
123.01589	0.5
123.04435	3.8
125.02337	68.0
126.02682	1.7
135.04478	0.7
137.02344	7.4
139.00281	1.2
139.03926	1.0
140.01088	1.3
145.02835	3.4
149.02376	2.6
150.03043	0.8
151.03909	5.5
159.04414	1.4
161.02362	0.8
161.06006	1.6
162.03030	0.5
164.01060	0.8
165.01849	1.9
166.99800	2.1
168.00525	2.2
169.01338	100.0
170.01680	4.4
175.03891	1.1
176.13435	0.5
179.03394	2.1
187.03937	2.0
188.04672	1.6
193.01317	4.7
202.06308	1.0
203.07033	5.1
205.01390	0.8
205.05017	2.6
221.08182	0.7
227.07115	0.8
245.04346	0.6
245.08145	6.4
246.08525	0.6
253.05028	1.5
258.29147	0.5
259.06061	1.5
262.92795	0.6
271.06104	4.5
287.05515	0.6
289.07162	36.5
290.07590	3.8
291.36969	0.5
303.05170	1.9
315.05002	0.7
331.04562	2.3
441.08130	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	437.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59756	1.1
59.01249	4.6
61.98687	2.7
62.41039	1.2
69.83383	2.5
69.83791	6.7
71.01239	2.2
79.95608	100.0
80.96400	7.2
81.03348	1.6
81.95200	1.5
93.03318	5.8
96.95882	5.6
100.00294	2.0
108.04418	3.1
109.02840	3.4
110.02378	2.2
111.04402	1.3
116.04953	11.5
118.02848	5.1
120.04449	17.4
121.02863	1.4
124.03949	1.9
125.02323	6.5
130.06534	8.3
131.03627	2.7
132.04430	7.8
134.02397	2.3
134.06024	7.0
136.03909	7.0
137.02188	1.6
142.06529	14.3
144.04480	11.0
146.06039	11.5
148.03957	2.9
150.05504	4.1
152.03438	11.5
157.07643	16.5
158.05994	2.9
159.09142	2.9
160.03975	3.9
161.71979	1.6
162.05466	3.8
166.05022	3.2
172.03911	2.9
173.07106	3.1
174.05533	20.8
178.05034	10.9
185.07132	2.2
186.05562	2.0
186.99332	2.3
188.00142	1.4
190.05043	8.7
196.00681	4.9
201.14883	3.2
203.08232	4.9
210.02231	1.6
210.03981	2.1
219.07802	2.0
222.02283	14.7
224.00148	3.2
229.06140	2.4
237.03372	19.2
238.01720	3.0
241.00435	3.5
242.01207	1.9
249.59767	1.5
253.02782	3.4
261.10312	1.6
263.11856	2.8
266.01273	2.3
277.09738	5.4
279.11401	3.7
283.03827	4.8
295.10956	7.1
297.08688	1.4
305.06549	1.7
307.10880	11.3
308.11108	1.7
311.10263	3.0
323.10373	10.2
339.09778	11.9
340.10492	5.7
341.05823	2.4
342.10928	1.4
347.06876	1.6
358.12085	2.9
373.27481	1.5
375.06799	2.6
377.04358	5.0
387.01587	1.8
387.06561	36.1
388.06845	4.5
391.06021	3.6
403.06024	16.2
404.06403	1.7
419.05457	6.7
420.06119	2.7
436.26202	1.8
437.06281	13.6
438.07370	2.6
441.90253	1.6
456.45474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1294
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
55.00529	1.0
59.01233	2.2
67.06758	1.0
67.67267	1.2
69.40451	4.9
69.40876	4.2
71.01244	1.2
71.61729	1.0
79.05402	1.5
81.03322	28.5
82.03676	1.3
86.79248	1.0
93.03330	5.7
95.01238	1.6
102.50449	1.0
106.04098	4.1
107.01264	1.0
108.02053	1.9
109.02792	2.6
122.03619	2.0
123.00723	1.2
123.04401	100.0
124.04717	3.0
125.02341	2.5
137.02257	2.6
149.02344	5.1
176.92592	1.1
180.94354	1.0
227.07040	1.3
229.08635	77.7
230.08936	5.6
235.43408	1.0
249.91362	1.0
255.06572	21.2
255.09019	1.9
255.95554	1.1
256.06927	2.2
273.07648	39.4
274.07996	2.0
310.86987	0.9
353.15875	1.0
409.95291	1.2
435.12885	71.0
436.13278	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	435.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15887	0.5
55.01748	1.2
57.03302	0.9
58.00468	2.9
59.01246	78.2
60.01588	0.9
61.98685	0.6
63.04144	0.5
63.55206	0.5
69.03326	0.8
69.34032	3.1
69.34438	1.2
71.01250	58.1
72.01565	0.7
72.99171	3.3
73.02814	16.6
75.00713	0.7
81.05578	0.5
83.01255	1.5
83.10020	0.5
85.02818	7.4
87.00748	1.9
89.02311	100.0
90.02644	1.9
92.30751	0.5
93.40205	0.5
95.01254	1.5
96.95878	1.2
97.02824	1.4
98.20540	0.8
99.00755	30.0
100.01121	0.7
101.02319	39.7
102.02657	0.9
109.02842	0.6
113.02328	14.1
115.03883	0.8
119.03384	11.6
124.56753	0.5
125.02338	3.8
126.86533	0.5
131.03384	15.8
142.83571	0.5
143.03377	2.5
149.04453	54.1
150.04744	1.0
151.00319	0.8
161.04475	3.5
178.99844	1.7
179.05525	4.7
191.05534	14.4
192.05925	0.7
221.06694	1.4
233.06619	0.9
251.07576	3.1
288.02713	1.4
289.03433	0.8
293.08630	0.8
294.48291	0.5
356.95255	0.6
435.22351	18.4
435.28284	1.0
436.22641	2.7
456.83673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.1
59.01248	56.7
60.01566	1.1
60.31699	1.0
61.98695	1.5
69.36700	8.1
71.01253	16.0
73.02802	6.4
83.01268	4.0
85.02821	7.2
87.00755	1.6
88.11037	1.0
89.02301	2.7
91.01808	1.0
94.06244	1.2
95.01248	1.3
96.95879	1.6
99.00732	2.6
100.81016	0.9
101.02324	12.2
102.31644	0.9
109.02831	6.0
110.69740	1.0
113.02337	8.3
119.03403	1.1
125.02315	2.5
135.00812	1.2
136.14432	1.0
151.00290	5.1
151.03928	15.3
152.01109	1.8
159.02919	1.2
161.04480	4.0
163.03914	2.8
169.01306	1.3
176.82114	1.0
178.99780	8.1
183.13814	7.7
195.13829	7.8
196.14162	1.1
199.13373	1.2
213.14900	100.0
214.15199	7.2
232.03749	3.9
255.06607	1.4
273.07785	5.8
273.20816	2.2
274.07736	1.2
287.01871	1.1
288.02713	14.2
289.03342	6.0
303.18066	9.8
341.06769	1.4
374.97873	1.0
435.08972	3.1
435.21863	23.6
435.27264	1.4
436.22552	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1294
Annotation	Pterosupin
Peak:m/z	Relative Intensity
54.38498	0.6
56.81494	0.5
57.03314	1.7
59.01246	6.6
60.01584	0.9
64.89011	0.6
65.00188	0.8
68.99686	1.1
69.03324	1.8
71.01247	1.2
79.01768	0.6
81.03329	12.5
83.01259	5.4
85.02799	0.6
93.03340	7.5
95.01260	2.1
95.04899	13.0
97.02836	5.8
99.04388	6.4
100.79369	0.6
107.01237	1.2
107.04892	0.8
108.02077	0.8
109.02821	1.4
110.41532	0.6
111.04401	1.3
113.02340	1.0
119.04924	10.3
121.02830	1.8
121.06559	0.9
122.03606	1.1
123.04404	22.1
123.05305	1.2
125.02328	28.6
126.02671	1.0
132.73801	0.5
135.04405	2.5
137.02327	4.4
137.05975	16.2
139.03886	3.4
141.02003	0.6
141.05501	1.3
145.06438	0.9
147.04420	2.5
149.02351	1.0
149.05989	1.3
150.03099	0.7
151.00256	1.3
151.03902	1.9
155.03372	1.3
163.03856	0.6
163.07539	1.2
165.01820	1.2
165.05476	9.8
166.02528	0.8
166.05777	0.7
167.03406	60.1
168.03758	3.1
177.05528	1.2
179.03406	10.1
180.03914	0.6
181.04947	1.8
187.07492	0.8
189.05458	6.2
191.03481	1.4
193.04959	1.6
197.04434	4.1
197.35384	0.6
207.02925	0.6
209.04494	18.8
210.04874	1.6
221.04556	3.3
229.08650	0.6
230.29617	0.7
231.06587	1.4
239.05550	1.6
255.06596	0.7
271.09726	1.3
273.07648	9.8
274.08060	1.0
285.07642	3.0
313.27109	0.7
315.08728	100.0
316.09085	10.3
327.08652	2.2
345.09775	24.9
345.13992	1.2
346.10129	2.0
357.09824	1.4
417.12173	1.4
430.15460	0.6
435.08267	0.7
435.13129	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	435.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.7
63.02266	2.4
63.90912	0.5
65.00185	2.6
71.29298	1.5
83.01254	2.6
95.01263	0.8
100.67331	0.5
107.01273	6.9
108.02071	3.2
109.02831	14.2
119.04889	1.5
123.00771	0.8
124.01531	5.2
125.02360	2.8
128.03445	1.4
135.00760	1.9
143.04515	1.2
151.00270	31.2
152.01060	15.6
152.02319	0.6
153.01483	0.8
160.55452	0.6
161.02316	1.0
165.01865	0.8
169.01335	5.3
177.01872	1.5
178.99779	52.0
180.00105	2.4
189.01849	0.8
192.67854	0.6
193.01372	1.8
194.01593	0.6
199.03879	0.7
203.03421	2.6
215.03424	2.3
217.01381	1.2
217.04993	0.9
231.02940	2.5
232.03722	24.3
233.04195	1.4
243.02975	3.8
245.04698	1.1
259.02457	3.7
260.03094	1.8
261.04016	1.2
271.02460	7.5
272.08954	1.6
283.08298	0.7
287.01941	4.7
288.02750	100.0
289.03455	43.9
290.03851	3.4
301.03406	1.3
313.07214	1.0
315.07736	3.2
328.87097	0.7
409.49796	0.6
417.07806	0.9
435.09293	26.3
436.09671	3.1
456.58429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1291
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
59.01250	4.9
60.18937	0.5
67.89295	0.5
70.03782	0.5
71.01259	1.0
81.03325	4.1
89.02288	0.7
93.03327	0.7
95.01180	0.5
98.19788	1.4
101.02290	0.6
108.02038	1.6
109.02850	2.8
120.09837	0.5
122.03623	1.6
123.04411	24.3
124.01560	0.8
125.02306	1.1
136.01517	0.9
137.02338	16.0
138.03125	42.2
139.03439	1.6
151.00294	0.8
151.80376	0.5
152.00999	1.3
170.02147	5.4
178.99806	1.0
179.42090	0.5
181.01306	6.0
182.01653	1.3
183.08087	0.6
185.05957	1.7
187.07579	0.8
199.07547	1.5
200.07840	0.9
201.33603	0.5
211.07579	2.4
213.09227	0.7
227.07079	9.6
228.07584	6.3
229.08644	90.6
230.09024	6.8
232.03699	1.1
237.05453	1.2
239.07111	0.9
253.04771	0.7
254.05293	0.7
255.06602	22.3
256.06992	2.1
257.08145	0.8
271.06131	0.7
272.06760	4.6
273.07669	16.9
274.07962	0.9
288.02744	2.0
289.03561	0.8
375.19977	0.9
417.11658	1.1
435.12897	100.0
436.13284	10.0
457.10791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1294
Annotation	Phloridzin
Peak:m/z	Relative Intensity
52.91833	0.5
57.03322	1.6
59.01255	2.7
60.05391	0.5
61.49895	0.4
61.98692	0.8
65.00191	1.3
69.32948	2.7
69.33355	1.0
81.03325	10.6
83.01249	4.6
93.03328	8.0
93.03856	0.7
95.04914	1.4
97.02828	0.8
99.04323	0.5
107.01276	0.9
109.02853	0.9
111.04385	0.5
112.69660	0.5
119.04914	10.1
122.71468	0.5
123.04406	32.0
124.04742	0.7
125.02330	16.2
126.02637	0.6
130.45724	0.5
135.04442	1.1
137.02348	1.0
149.02357	2.2
151.00262	4.9
152.01051	1.1
157.72897	0.5
164.55197	0.5
165.05444	0.9
167.03409	79.4
168.03723	3.2
178.99805	1.9
179.03398	8.3
187.07512	0.7
189.05528	2.0
191.03413	1.0
209.04500	0.6
225.07581	0.6
229.08598	2.4
232.03830	0.8
255.06569	1.3
273.07675	100.0
274.08051	8.3
288.02805	2.8
289.03418	1.7
289.68832	0.5
297.07474	0.6
315.08752	3.7
324.46637	0.5
345.09756	0.6
378.75146	0.5
418.46906	0.5
435.12790	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	433.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08635	0.2
55.11979	0.2
56.87287	0.2
59.01247	0.3
65.75799	0.2
70.87323	0.5
83.96089	0.2
99.08020	0.2
117.03348	18.5
118.03701	0.6
119.04916	25.6
120.05267	1.4
121.02846	1.8
123.04416	0.4
133.02852	0.3
145.02853	100.0
146.03197	5.0
163.03917	17.5
164.04254	0.8
258.01675	0.2
268.98209	0.2
269.21191	2.1
281.99097	0.2
287.22281	8.6
288.22650	0.5
415.24893	0.6
433.25922	35.2
434.26294	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	434.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.0
60.01582	0.3
61.98701	100.0
65.16319	0.2
71.01251	2.5
72.01591	0.5
72.99200	0.4
73.02817	0.7
83.01259	0.4
85.02834	0.5
86.03159	0.3
89.02314	3.7
90.02660	0.4
99.00770	0.9
101.02348	1.9
102.02651	0.6
109.02827	0.3
112.85593	0.2
113.02325	0.6
126.06124	0.2
131.03329	0.6
137.02388	0.3
149.04483	1.1
150.04770	0.3
151.00281	0.7
152.01077	0.3
165.01874	1.0
178.99821	0.8
179.03397	0.3
179.52823	0.3
180.04260	0.4
191.05510	0.3
195.06624	0.9
223.84572	0.2
225.07664	0.5
288.02707	1.5
289.03577	0.4
296.60602	0.3
302.16837	0.4
434.08438	0.3
435.21848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16737	0.2
59.01248	100.0
60.01582	0.9
63.04806	0.3
65.00198	0.2
67.62682	0.2
71.01249	2.5
71.16316	0.3
71.16655	0.3
77.12967	0.2
85.02790	0.4
89.02316	4.7
89.68072	0.3
89.76597	0.2
91.24555	0.2
94.23798	0.2
95.30663	0.3
101.02332	1.4
107.01289	0.4
113.02345	1.1
119.03407	1.2
119.04855	0.3
121.02887	0.4
143.03415	0.6
148.01587	0.5
149.04477	0.3
151.00226	1.8
161.04457	0.4
163.00313	0.7
165.01665	0.3
178.99788	0.7
179.05588	1.0
185.05981	0.4
227.03542	0.4
227.07181	1.1
243.03001	1.6
245.04587	0.4
253.05057	0.6
255.03006	4.0
256.03409	0.6
271.02490	7.9
271.06024	1.1
272.02908	1.1
273.04391	0.3
300.02734	13.3
301.03464	9.4
302.03961	0.9
313.07309	0.4
433.07556	7.1
433.24640	0.5
434.08136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71762	0.2
54.04268	0.2
59.01239	0.4
60.81045	0.2
62.67643	0.2
62.88617	0.2
71.11286	0.2
71.33184	0.4
85.55821	0.2
93.03323	0.3
99.08047	0.3
117.03346	16.8
118.03663	0.6
118.75532	0.2
119.04912	26.6
120.05264	1.0
121.02831	1.8
123.04416	0.4
124.74596	0.2
133.02858	0.5
134.09372	0.2
145.02850	100.0
146.03192	5.1
153.05458	0.4
163.03917	17.7
164.04266	0.8
259.02686	0.2
269.21140	2.0
287.22278	8.2
288.22556	0.6
415.24857	0.7
433.25919	33.0
434.26273	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	433.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.7
57.25700	0.2
59.00085	0.2
59.01241	0.3
60.58574	0.3
61.87427	0.2
69.16908	1.1
69.17340	1.3
75.15792	0.2
76.09061	0.2
77.67076	0.3
81.35561	0.2
85.77564	0.2
86.34307	0.3
86.56671	0.2
97.02843	0.6
98.19827	0.4
99.08031	2.4
115.25365	0.2
120.05675	0.8
133.06509	0.2
135.08046	31.3
136.05214	0.4
136.08385	1.2
137.05960	0.8
151.07538	0.4
152.04683	1.4
152.99425	0.5
164.04668	0.9
164.52316	0.2
167.07043	20.3
168.07378	0.9
176.40788	0.2
179.07043	100.0
180.07375	6.0
192.85043	0.3
220.67151	0.3
233.51730	0.2
253.15942	0.3
433.23795	8.2
434.24103	1.9
454.99835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35779	0.3
55.01750	1.5
55.82296	0.3
57.03321	1.1
59.01255	1.4
59.28864	0.3
67.74187	0.3
71.48674	0.6
78.95781	1.7
97.02832	3.2
99.08032	11.3
100.08383	0.4
102.25172	0.3
107.13486	0.4
109.06468	0.3
110.31057	0.3
123.08057	1.2
125.06004	1.5
135.08052	10.8
136.08340	0.8
137.05946	0.4
145.02858	0.5
147.38672	0.3
151.03876	0.3
152.04681	7.5
152.99495	2.7
166.06203	0.5
167.07051	100.0
168.07388	4.6
169.10081	0.4
179.07057	27.1
180.07333	1.7
185.09773	0.4
211.11224	5.6
253.15878	0.9
255.10231	10.6
256.10599	0.6
356.06458	0.3
433.23804	46.9
434.24136	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	433.2383
Annotation	Crinatusin A2
Peak:m/z	Relative Intensity
55.01765	1.1
57.03321	0.9
58.96663	0.4
59.01240	0.5
69.48691	2.1
75.56181	0.4
78.95802	0.6
97.02834	3.5
98.20627	0.7
99.08033	11.2
100.08356	0.4
106.38638	0.4
123.08046	0.5
125.05965	1.4
135.08049	7.3
151.03845	0.6
152.04677	6.6
152.99490	0.6
153.05063	0.4
166.06265	5.6
167.07051	100.0
168.07399	5.3
172.77670	0.4
174.51616	0.4
179.07062	19.5
180.07436	1.2
196.08702	0.5
211.11224	5.3
212.11569	0.5
213.09042	0.6
253.15695	0.5
255.10248	9.0
256.10712	1.1
408.54221	0.4
433.23813	33.4
434.24084	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	433.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
59.01242	0.5
61.22853	0.4
68.99693	1.3
74.83398	0.4
79.01753	2.7
87.44789	0.4
90.11071	0.4
99.08031	0.7
109.02795	0.4
123.00721	0.5
123.04421	1.1
123.08039	0.5
124.01532	1.5
137.02338	1.8
137.05905	0.6
149.05994	1.8
151.00266	1.9
151.03894	5.6
152.01015	0.6
153.01740	0.4
165.05493	1.3
166.06288	6.1
167.03412	1.1
167.07047	3.7
177.01801	2.1
179.03410	40.9
180.03697	2.4
181.71729	0.4
193.05003	4.4
194.05768	41.8
195.06102	2.5
198.05247	3.3
226.04797	11.6
226.06992	0.3
229.15741	0.6
230.43793	0.4
237.31097	0.5
253.12256	0.7
287.33093	0.5
297.11270	3.7
298.11642	0.5
301.34897	0.4
340.10153	0.4
343.38599	0.5
349.14386	0.7
364.16388	0.6
389.24905	1.2
433.23807	100.0
434.24133	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95684	0.5
53.24722	0.5
55.01748	2.3
57.03312	1.3
58.00463	3.7
58.00727	0.8
59.01247	68.2
60.01588	1.3
61.98697	38.6
69.03314	1.1
71.01250	63.9
72.01603	0.6
72.99182	3.8
73.02817	18.7
74.58878	0.6
81.03320	1.0
83.01258	2.7
85.02821	10.7
87.00745	2.3
89.02313	100.0
90.02637	1.7
95.01257	1.7
97.02827	2.2
98.20565	2.1
99.00751	31.3
100.01070	1.2
101.02316	39.9
113.02322	15.3
115.03894	0.8
117.38660	0.5
119.03390	12.7
125.02339	4.9
131.03391	17.2
143.03421	3.3
144.01193	0.6
145.99358	0.6
149.04453	47.3
150.04794	1.1
161.04456	4.9
179.05534	4.7
191.05516	12.7
191.07166	1.0
197.11913	0.8
205.03374	0.6
221.06680	1.0
229.28076	0.6
229.30254	0.9
233.06615	1.2
251.07689	1.8
258.01620	1.0
259.02454	0.7
269.08209	0.6
271.19113	1.0
287.02002	1.2
301.16580	6.3
433.01767	1.2
433.07700	0.8
433.20657	16.5
433.26462	1.5
434.20944	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	433.114
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.96718	0.2
57.03312	0.4
59.01262	1.4
63.02267	3.5
65.00193	10.2
66.00518	0.4
71.01234	0.6
71.85283	0.2
83.01256	8.6
85.35825	0.2
89.02313	0.3
93.03337	5.0
95.01267	0.5
101.02327	0.4
107.01269	18.0
108.01591	0.6
109.02847	0.3
113.02274	0.4
117.03371	1.5
119.04914	35.6
120.05260	1.5
121.02866	0.3
125.02341	3.4
133.02832	0.5
137.02287	0.9
143.04910	1.4
145.02846	5.4
149.02342	0.8
151.00272	63.7
152.00604	2.3
157.06477	0.7
161.05977	0.9
163.03923	0.4
164.01059	0.6
164.92630	0.3
165.01845	5.6
169.01349	4.0
177.01855	4.7
185.06001	3.1
186.06384	0.4
187.03934	3.1
193.01318	0.9
199.07556	0.6
211.13335	0.5
227.07079	3.0
229.04941	0.4
253.05135	0.6
267.06549	0.4
269.04425	0.5
271.06107	100.0
272.06458	8.5
295.06174	0.3
300.02533	0.3
301.16556	0.4
301.98419	0.3
313.05444	4.1
377.92828	0.3
433.11356	9.6
433.20810	0.9
434.11627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.7
60.74432	0.9
65.00191	6.2
67.45547	1.0
68.99657	1.0
69.03321	1.3
70.98394	1.1
70.98711	1.3
71.01247	2.8
74.96110	0.8
77.03870	1.0
79.01763	1.7
81.03333	3.8
83.01256	5.2
84.81491	0.8
89.02332	1.7
89.84840	0.8
93.03327	9.1
95.01260	2.3
97.02821	6.5
105.03334	2.4
107.01264	8.3
109.02843	1.1
113.02316	1.2
117.03311	0.9
119.04903	58.3
120.05238	2.1
121.02843	10.0
123.00787	2.8
123.04397	1.0
125.02336	18.0
126.92799	1.0
130.65736	1.0
137.02367	4.8
143.04889	5.6
145.02853	6.1
149.02354	7.6
150.99144	1.7
151.00269	19.6
151.03937	1.9
155.03403	1.7
156.77036	0.9
161.05927	0.9
163.00267	8.1
163.03957	2.1
164.01036	2.7
165.01833	11.8
166.02266	0.9
167.03384	5.2
177.01785	4.8
179.03436	3.2
185.05952	3.3
187.03926	5.4
191.03340	1.5
193.01337	32.5
194.01735	1.9
199.07573	1.6
205.01372	1.6
207.02916	2.1
211.02455	1.0
219.02881	3.6
223.02425	5.8
227.07008	2.2
229.04942	1.2
241.08615	1.5
269.08182	2.5
271.06119	15.7
283.06091	3.2
299.99149	1.2
313.07147	100.0
314.07486	7.6
325.07034	2.4
343.08185	24.3
344.08423	3.2
355.08136	1.5
385.09335	1.0
399.43805	1.1
415.10092	1.7
433.11395	12.6
434.11526	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20266	0.5
59.01212	1.5
63.02230	0.9
65.00197	5.0
66.10012	0.5
67.01748	0.6
69.03285	1.0
69.13956	5.8
71.01210	1.5
79.01745	0.9
81.03300	2.4
82.53664	0.4
83.01264	4.7
93.03324	5.5
95.01241	1.7
97.02817	3.7
98.19688	0.7
103.31421	0.5
105.03327	1.3
107.00674	0.6
107.01278	8.1
109.02778	1.3
110.10898	0.5
112.51424	0.5
117.03313	0.8
119.01387	0.6
119.04917	41.0
120.05218	1.7
121.02847	6.7
123.00726	2.2
123.04385	1.3
125.01485	0.9
125.02344	13.9
133.02809	1.0
135.00705	0.9
135.04382	0.9
136.01500	1.1
137.02336	4.4
143.04930	3.0
145.02859	3.5
149.02368	6.3
151.00279	20.9
151.03822	0.7
155.03374	1.0
161.02257	0.8
161.05913	1.3
163.00273	5.2
163.03877	1.5
164.00987	1.2
165.01857	10.9
165.05501	0.5
166.02226	0.8
167.03413	2.6
169.01320	0.9
177.01859	3.8
179.03363	1.5
183.11012	0.6
185.05956	2.1
187.03906	3.2
191.03413	1.2
193.01355	25.7
194.01683	1.8
197.04330	0.8
199.07579	1.3
202.02536	0.6
205.01292	2.2
207.02895	2.3
219.02892	2.1
223.02409	3.9
227.07123	2.6
241.08725	1.3
259.02393	0.6
269.08194	1.2
271.06122	24.2
272.06558	1.8
283.06113	2.2
287.01944	1.0
313.07178	100.0
314.07498	9.1
325.07169	2.3
342.03690	0.6
343.08224	25.8
344.08466	1.8
355.08209	1.5
397.09503	0.6
415.10455	1.5
433.11450	17.7
434.11777	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	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60599	0.2
59.01247	1.2
63.02266	2.3
65.00192	5.9
70.98419	0.4
70.98749	0.3
71.01256	0.3
83.01250	4.5
83.01728	0.3
92.88589	0.2
93.03334	7.6
94.03674	0.3
95.01253	0.2
106.68500	0.2
107.01269	12.3
107.04913	0.4
108.02103	0.3
109.02818	0.2
114.92791	0.2
119.04910	36.7
120.05228	1.9
121.02808	1.0
123.00713	0.3
125.02357	1.3
131.01305	0.5
131.92097	0.2
133.02908	0.3
135.00705	0.2
136.01558	0.3
137.02338	0.4
142.76740	0.2
143.04895	0.5
145.02826	0.8
149.02332	0.5
149.05997	0.9
151.00270	42.8
152.00639	1.6
157.06425	0.3
160.38705	0.2
161.06012	0.3
164.01045	0.7
165.01828	3.3
165.05515	0.3
168.68944	0.2
169.01321	1.6
175.00262	2.2
177.01851	5.5
178.02271	0.3
181.06499	0.6
183.08086	0.5
185.06004	1.1
187.03929	0.9
193.01302	1.1
196.00145	0.3
199.07545	0.5
209.06055	1.2
211.07463	0.4
225.05579	0.5
226.06281	1.1
227.07080	10.2
227.09346	0.5
228.07419	0.9
229.04959	0.3
253.05058	1.5
271.06107	100.0
272.06439	8.2
272.09512	0.4
285.07553	0.3
295.06055	1.1
299.99323	0.3
300.02661	0.4
313.07196	1.8
373.13245	0.3
433.11484	5.4
434.11703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10697	0.8
59.01250	5.3
61.98701	100.0
71.01260	2.1
76.57515	0.9
89.02343	1.4
92.26299	0.8
95.40540	0.9
101.02381	0.9
110.30972	0.8
113.02327	1.0
122.56037	1.0
140.02859	0.8
143.04922	4.9
173.00841	1.1
195.06560	27.7
196.06851	1.3
202.01308	0.9
214.31371	1.1
247.06059	5.6
253.08708	8.9
433.07779	1.2
436.99133	1.1
444.75687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Tricetin 3'-xyloside
Peak:m/z	Relative Intensity
60.92751	0.8
65.00170	2.9
67.15443	0.9
68.99697	1.2
69.38725	1.8
69.39138	5.7
81.03323	2.5
82.89844	0.8
83.01233	2.0
93.03300	3.0
97.02802	2.2
107.01246	4.1
108.02036	2.8
109.68801	1.0
119.04092	1.3
119.04910	17.2
121.02805	3.6
125.02314	5.5
137.02303	1.2
141.06923	1.0
143.04892	2.4
145.02849	1.9
148.01534	2.6
149.02304	2.9
150.29930	0.9
150.99178	1.1
151.00282	13.3
162.53389	1.1
163.00233	5.2
164.01028	2.1
165.01836	1.9
178.99751	3.6
183.04414	1.1
185.05960	2.4
187.03879	2.8
190.99706	1.1
193.01347	6.6
199.03984	0.9
200.04405	0.9
211.03902	1.2
215.03371	1.0
216.04060	1.2
219.03024	0.9
225.05486	2.0
226.02690	1.8
227.03513	5.6
227.07080	11.2
228.07376	1.0
243.00539	1.2
243.02946	17.1
244.03232	1.2
245.04442	1.1
253.05092	4.7
254.02126	3.6
255.02950	33.6
256.03192	3.4
271.02487	75.8
271.05905	10.8
272.02924	7.5
272.05984	1.4
272.11435	1.1
273.03922	1.6
299.02026	2.2
300.02725	100.0
301.03351	25.3
302.03815	1.0
313.07147	19.1
314.07294	1.4
343.08157	6.9
433.07526	49.8
434.07840	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	431.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23903	0.3
64.74424	0.3
71.04723	0.7
97.10034	0.3
103.30665	0.3
117.03349	15.9
118.03704	0.4
119.04919	23.1
120.05252	1.1
121.02861	1.5
123.04389	0.5
133.02890	0.4
145.02856	100.0
146.03178	4.8
163.03920	18.4
164.04308	0.8
195.92160	0.3
207.53618	0.3
267.19595	1.7
285.20715	8.0
286.21075	0.7
324.59891	0.3
340.15945	0.3
374.95901	0.3
413.23401	0.5
419.76526	0.3
431.24377	30.4
432.24689	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	431.3165
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
50.15976	0.5
57.84158	0.5
58.08965	0.5
59.01256	3.1
63.17617	0.4
71.49284	0.6
78.95769	0.5
80.09982	0.4
80.96380	0.7
119.04937	0.6
131.22237	0.4
145.02892	2.5
196.59010	0.6
371.29449	1.9
431.31653	100.0
432.31985	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	431.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81661	0.6
59.01250	4.7
84.24694	0.6
89.76140	0.6
98.20689	1.3
117.03345	18.2
118.03668	0.9
119.04913	27.9
120.05272	1.0
121.02859	1.1
145.02850	100.0
146.03185	4.3
161.04419	0.7
163.03920	20.9
164.04245	1.7
227.42986	0.7
267.19647	2.4
285.20697	8.0
297.11179	0.8
431.24420	27.0
432.24936	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	431.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14162	0.3
54.15284	0.2
69.33084	1.5
69.33497	0.7
71.48357	0.2
87.39812	0.3
97.06499	0.2
101.42118	0.2
117.03350	17.3
118.03698	0.3
119.04916	27.3
120.05264	1.4
121.02859	1.7
123.04321	0.4
132.80634	0.3
133.02831	0.6
145.02855	100.0
146.03194	5.0
163.03923	19.2
164.04268	1.2
267.19543	1.8
285.20715	7.6
286.21008	0.8
344.12943	0.3
413.23489	0.4
431.24374	25.2
432.24707	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.9
57.74455	1.1
59.01251	100.0
67.01758	1.1
70.25890	3.4
71.00900	1.5
71.01257	13.6
73.02821	4.6
77.97094	0.9
83.01257	1.7
85.02824	5.4
89.02311	6.6
99.00768	2.3
101.02327	11.1
109.06464	1.1
113.02333	7.2
125.02390	1.7
159.85130	1.2
160.24585	1.1
161.04480	8.8
165.12784	3.2
207.13890	10.2
209.11841	6.8
225.09198	1.3
225.14771	1.5
227.07118	2.0
251.12837	4.5
269.04306	1.1
269.08130	8.8
269.13928	37.2
270.08374	1.6
270.14224	2.3
284.03186	1.7
285.04034	2.4
293.14014	2.2
311.15009	2.3
335.15118	1.7
371.16565	1.8
371.20718	16.7
431.09390	1.6
431.19128	4.3
436.39697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
50.02598	1.0
55.01760	5.6
57.03294	4.8
58.00445	2.0
59.01251	100.0
69.03291	1.7
71.01254	35.5
71.49681	1.2
72.99146	3.0
73.02821	13.7
74.63354	1.0
83.01266	11.4
85.02822	16.9
85.99923	3.5
86.26990	1.0
87.00698	2.6
89.02251	4.4
95.01216	3.4
97.02808	1.2
99.00688	4.1
101.02322	25.7
102.02583	1.0
111.00722	2.4
113.02330	9.1
115.86361	1.3
121.02774	2.6
124.01575	1.1
125.02347	16.7
137.02246	3.5
151.03874	6.4
159.02832	1.2
161.04340	3.7
225.18466	2.5
229.41924	1.0
251.16493	7.8
269.21014	1.8
287.22348	7.9
305.10007	2.6
323.69086	1.2
371.20587	2.1
413.21783	66.5
414.22128	9.1
431.22314	87.8
432.22653	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	431.2225
Annotation	Usambarensine
Peak:m/z	Relative Intensity
55.01749	1.6
57.03320	5.6
59.01254	4.2
59.24708	0.7
61.90525	0.9
63.69569	0.9
69.12586	0.7
69.78754	4.8
79.01760	8.5
79.05367	0.9
99.08056	1.4
99.71288	1.2
109.02808	0.8
119.04916	1.5
123.08031	3.2
145.02852	2.6
147.04338	1.0
149.05998	11.4
150.03098	2.1
158.45094	0.8
166.06224	1.3
167.07034	9.3
171.04449	3.6
173.09674	1.6
178.02576	1.0
179.03400	1.8
179.07001	0.8
183.08012	2.2
193.04999	16.4
194.05733	2.0
200.08379	1.3
205.50072	0.8
211.11206	1.7
253.12286	11.2
255.10123	1.2
258.84277	0.8
297.11307	64.4
298.11639	6.5
361.14340	1.0
377.24002	0.8
387.23206	1.5
431.22250	100.0
432.22653	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	431.0981
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
54.61539	0.4
59.01248	26.9
63.02244	0.5
65.00195	0.6
65.04578	0.4
65.23560	0.4
71.01240	3.0
73.02809	0.9
83.01253	1.0
85.02824	0.8
89.02322	1.1
93.03326	1.4
98.19692	1.0
101.02312	2.6
107.01271	2.0
109.02844	0.8
113.02323	0.8
131.04886	0.4
132.02034	0.9
135.00761	1.4
143.04919	1.0
151.00256	0.8
157.06445	0.7
159.02943	0.4
159.04388	1.5
161.04486	1.9
163.00299	1.9
165.01866	0.5
167.04935	0.6
169.06519	1.0
183.04431	1.5
185.06047	2.7
187.03889	3.1
189.05508	0.8
195.04564	0.4
197.05960	1.2
199.03902	1.4
201.05438	0.5
209.11835	0.5
211.03941	3.3
213.05518	1.6
223.03976	0.6
227.03433	52.0
228.03758	4.5
229.05008	11.6
229.75906	0.5
230.05229	1.0
239.03532	1.8
240.04189	0.9
241.05043	1.8
255.02954	73.0
256.03494	9.0
257.04520	6.2
258.04910	0.5
267.02936	0.9
269.08206	2.5
269.13916	2.5
283.02603	0.5
284.03244	62.9
285.04004	100.0
286.04395	8.8
327.04929	0.7
371.20712	4.0
431.09787	59.9
432.10114	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	431.1342
Annotation	Strobopinin 7-galactoside
Peak:m/z	Relative Intensity
53.24916	0.2
55.01742	0.3
55.52633	0.2
59.01249	2.1
65.00195	1.2
65.99165	0.2
68.99667	0.3
69.29638	2.2
71.04891	0.3
72.99162	0.4
73.83908	0.2
77.03825	1.2
78.95803	0.3
79.01758	5.2
89.77419	0.3
93.03343	0.3
97.02817	3.1
109.02821	0.9
117.03339	0.5
119.04931	0.3
121.02834	5.7
122.03616	0.7
136.01567	0.6
137.02327	0.6
139.03889	1.9
141.06937	0.5
145.02818	1.0
145.06462	1.8
147.04393	1.5
149.02324	0.5
150.03094	1.2
155.08557	0.7
159.08044	1.0
161.00829	0.3
163.03876	0.5
165.01825	8.7
166.02205	0.5
169.06485	0.8
171.04428	3.5
172.05209	0.5
177.01775	0.3
178.02623	1.9
179.03320	0.6
182.07320	0.3
183.02907	0.6
183.08075	3.3
183.78563	0.3
186.06802	0.3
191.03430	0.4
197.09595	0.6
199.07553	0.5
201.09058	0.9
207.07907	0.5
209.05920	0.3
210.01613	0.8
223.07602	0.5
225.09138	6.5
226.09473	0.5
227.07091	3.1
228.07518	0.3
229.17461	0.3
241.08685	1.9
251.07121	0.6
252.53001	0.3
265.08569	0.5
267.06604	0.8
269.08160	100.0
270.08511	9.1
293.08160	0.6
311.09271	1.9
336.95279	0.3
394.69189	0.2
431.13556	3.6
432.13748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69883	0.5
51.11062	0.4
58.00466	0.6
59.01249	100.0
60.01580	1.3
71.01253	12.9
72.99212	0.6
83.01267	0.7
85.02844	2.0
87.00761	1.2
89.02315	16.0
101.02310	6.4
113.02318	5.7
119.03388	6.8
125.02378	0.5
131.03438	1.1
137.09616	2.3
143.03424	1.0
149.04546	1.1
161.04498	1.7
179.05502	4.1
223.13438	0.7
267.12509	1.5
362.20203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63952	0.9
55.60969	0.8
57.03315	1.4
58.00470	1.3
59.01251	100.0
59.72175	0.8
70.59479	0.8
71.01252	10.0
71.49236	0.8
71.49724	1.2
83.01254	2.3
83.87536	1.0
85.02828	1.2
89.02324	12.5
98.04104	0.8
101.02317	12.8
108.02052	1.1
113.02325	3.2
119.03393	8.6
125.02319	6.1
137.02336	1.0
149.93156	1.1
161.04477	1.0
164.74136	0.9
169.01338	2.8
177.01837	1.3
179.05519	3.2
180.05675	1.1
207.13910	5.0
209.06142	1.2
219.13972	1.6
227.03461	8.0
249.14822	1.5
255.02933	8.9
256.03476	1.3
284.03281	6.6
285.03949	3.2
325.03479	1.7
397.05573	2.3
429.08258	18.1
429.20837	1.1
430.08533	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	7.9
59.01248	100.0
61.98687	1.3
69.03328	1.8
71.01254	28.3
71.04796	3.9
72.99189	2.1
73.02818	5.7
76.79411	1.2
83.01247	12.4
83.04902	2.7
85.02818	7.0
87.00755	4.8
89.02322	20.0
90.35023	1.4
91.30437	1.3
93.06947	1.2
95.01262	2.3
99.04386	3.1
101.02329	14.4
113.02335	15.1
119.03374	9.0
125.02312	4.0
125.06014	1.7
131.03365	1.6
143.03392	2.2
161.04474	2.6
161.09621	2.3
161.13268	9.8
163.11191	2.8
171.77792	1.3
177.01775	1.2
179.05499	2.4
187.11176	3.6
189.09126	1.1
193.01283	1.6
205.12263	20.7
206.12607	1.3
207.10168	14.5
223.13341	66.8
224.13664	4.1
229.12207	1.6
231.10172	1.8
249.11307	21.7
267.12366	43.7
268.12573	2.2
291.12265	1.7
309.13599	2.3
429.12219	1.9
429.17639	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	429.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.3
58.00444	1.3
59.01247	100.0
60.01577	1.5
63.28776	0.8
68.86285	0.8
70.51637	3.1
71.01247	15.9
72.99184	1.1
73.02792	2.9
83.01257	4.8
83.04880	2.0
85.02814	3.1
87.00732	7.0
87.08908	0.9
89.02320	13.3
95.01272	1.3
97.06490	1.6
101.02317	7.9
107.04898	5.3
113.00488	0.8
113.02321	6.8
115.62869	0.9
119.03392	2.9
120.05695	1.9
125.02314	2.8
131.03488	1.2
135.04366	2.3
152.04771	1.0
159.07994	1.3
159.11594	1.6
161.04427	2.1
161.09630	12.6
161.13255	4.5
162.09967	0.9
163.11194	2.9
177.01889	1.3
179.05455	1.1
187.11205	17.4
189.09114	6.4
205.12236	3.9
207.10185	4.0
223.13336	72.1
224.13652	4.2
229.12299	1.3
237.72995	1.0
249.11221	4.1
267.12354	73.9
268.12604	5.5
269.19965	0.8
283.02640	1.3
296.54959	0.9
302.45834	0.9
309.13440	1.2
369.15573	1.2
429.17493	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08612	0.6
54.10875	0.6
55.93357	0.6
57.03325	3.9
58.00458	1.6
59.01247	100.0
60.01587	1.5
61.53857	0.6
69.17012	4.9
71.01250	18.3
71.04904	1.8
72.99179	1.2
73.02819	3.5
83.01263	3.9
83.04899	1.8
85.02828	5.7
87.00742	7.7
89.02321	13.1
90.36406	0.6
95.01270	2.4
95.04888	0.8
97.06474	4.0
98.19833	1.3
101.02314	9.9
107.01282	0.7
107.04903	9.7
113.02335	8.7
119.03373	5.0
120.05674	3.9
125.02343	4.6
131.03416	1.0
135.04420	3.0
135.08113	0.8
137.02377	0.8
141.05551	0.9
143.03450	0.9
146.07317	0.8
152.04713	2.0
157.06497	1.4
159.08086	1.6
159.11687	1.3
161.04500	1.6
161.09633	15.2
161.10913	1.0
161.13274	5.7
162.09984	1.1
163.11209	3.0
167.03308	0.7
168.00356	0.7
169.01357	2.3
169.10147	0.7
172.08864	1.1
177.01886	1.1
179.05571	1.5
185.13266	0.8
187.11197	21.3
188.11595	1.2
189.09071	6.0
203.03598	0.9
203.10742	2.4
205.12318	5.9
207.10219	4.0
223.13342	75.3
224.13625	4.6
229.12332	1.1
249.11250	6.1
267.12363	61.9
268.12686	5.3
291.12521	1.5
301.33212	0.7
309.13699	1.9
339.14487	0.7
345.34674	0.7
369.15588	2.4
429.17618	6.9
430.18338	1.0
435.92212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.8
57.18179	1.7
57.42372	1.5
58.00457	2.9
59.01248	100.0
59.23159	1.5
59.98376	2.1
60.28943	1.5
61.98678	2.4
70.64337	5.1
71.01250	52.0
72.99170	6.3
73.02785	2.2
75.00716	4.7
75.19557	1.4
83.01243	5.2
83.04878	2.6
85.02829	9.9
87.00758	3.8
89.02313	53.5
95.01254	3.5
96.95875	1.8
99.04382	7.3
101.02319	26.4
111.04362	3.7
113.02338	15.5
119.03387	22.4
125.02306	14.3
131.03407	3.3
131.09381	1.8
135.02895	16.8
137.98946	1.5
143.03357	2.7
161.04544	2.2
161.13261	22.0
162.13643	2.4
167.03368	1.9
177.01793	3.1
179.05489	4.6
187.11203	7.8
205.12271	59.2
206.12593	3.1
207.10127	4.0
223.13344	23.8
224.13530	2.5
227.03424	2.3
249.05478	3.9
249.11276	64.1
250.11653	4.5
264.80576	1.7
267.12329	23.1
272.64554	1.7
284.03409	2.9
285.03992	2.0
369.00592	1.9
429.08609	2.9
429.17462	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12029	1.1
57.69424	1.3
59.01247	12.1
59.65188	1.1
60.67126	1.1
65.00182	2.9
69.33508	5.5
69.33940	5.5
71.01261	3.5
72.99171	6.0
75.00742	48.5
79.95599	5.1
89.02325	8.3
96.95885	30.6
98.20544	2.3
117.01775	1.8
118.94113	2.3
135.02885	100.0
136.03230	1.4
143.04907	1.5
151.00270	3.9
163.00278	9.8
169.06563	1.5
171.04428	8.8
176.98164	2.1
179.04800	1.5
189.99086	1.6
190.99747	1.4
192.00534	3.9
193.06514	5.6
195.04353	1.6
195.08020	1.4
211.07578	1.6
221.06017	4.1
222.06758	1.4
223.07492	1.6
225.05473	1.7
237.05608	4.0
239.07024	2.1
240.07893	3.9
240.27667	1.3
253.08656	1.7
255.06619	5.2
256.06641	1.6
265.05038	52.2
266.05301	6.1
267.06561	3.9
271.06107	2.0
274.06085	2.4
279.06741	2.8
279.10281	4.2
281.04553	23.8
281.07816	2.0
283.06116	14.4
284.06464	2.0
293.04544	90.6
293.11719	3.0
294.05096	9.8
294.12579	25.2
295.06055	5.4
295.12982	1.8
297.07446	1.7
307.06091	3.8
309.04037	3.8
309.14923	12.6
311.05615	10.7
311.12921	2.9
332.10272	1.9
337.07172	4.1
339.05020	7.0
339.08813	1.9
367.08389	2.6
369.02753	2.3
383.91556	1.4
414.07523	13.8
415.07730	2.1
429.09845	69.4
430.10315	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	427.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.9
59.01242	1.5
71.40667	0.9
71.49219	1.2
95.04925	1.0
109.02823	0.9
111.49491	0.9
128.63008	0.9
135.08055	35.3
137.02347	1.3
137.05919	1.0
161.05957	1.2
162.06750	1.5
163.07474	1.0
165.05476	1.8
166.06255	1.0
176.08298	2.7
179.07063	70.5
180.07449	2.7
192.07700	1.1
223.06001	2.9
229.64809	0.9
231.10280	2.0
245.15225	1.0
259.17090	1.2
284.17923	1.2
313.21631	6.9
327.23331	11.1
328.23419	1.0
383.25931	37.1
384.26236	5.5
385.23831	5.6
427.24881	100.0
428.25201	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	427.2484
Annotation	Graviphane
Peak:m/z	Relative Intensity
51.97636	0.5
54.27736	0.6
55.01772	2.6
59.01247	0.6
71.20525	1.1
109.02855	0.6
120.26172	0.6
121.06480	0.7
123.04379	1.1
133.06508	0.8
135.08051	41.0
136.08418	1.9
137.02328	0.7
137.05983	1.5
138.30850	0.5
151.07657	0.7
153.05365	0.7
162.06761	1.8
164.04672	0.8
165.05447	1.8
166.06229	1.0
176.08330	3.0
177.09081	0.7
177.16940	0.6
179.07048	82.1
180.07385	4.1
192.07932	1.1
209.04558	0.8
215.65488	0.6
223.06078	5.0
224.06706	1.1
245.15434	0.9
259.16986	1.5
313.21780	5.7
327.19601	0.9
327.23337	7.7
328.23578	0.7
339.26749	0.9
349.49249	0.6
383.25882	33.0
384.26022	4.4
385.23849	1.5
427.24841	100.0
428.25250	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	427.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09290	0.3
55.01749	1.5
58.06625	0.3
62.80453	0.3
66.29058	0.3
69.19486	2.0
69.19895	0.7
79.09695	0.3
79.20629	0.3
79.23245	0.3
95.04900	0.4
109.02804	0.7
121.06473	1.2
122.03589	0.4
123.04397	0.4
125.02349	0.3
125.05960	0.8
133.06503	0.3
135.08054	32.5
136.05196	0.9
136.08392	1.7
137.02348	1.1
137.05969	1.2
150.06760	0.5
151.07542	0.9
153.05466	0.6
162.06709	1.6
163.07552	0.5
164.04683	0.7
164.08383	0.4
165.05478	12.3
165.06888	0.7
166.06076	1.2
175.07576	0.3
176.08353	1.2
177.05461	0.7
177.09087	0.7
179.07053	57.6
180.07524	4.2
192.07785	0.8
203.07053	0.3
205.08659	0.5
209.04482	5.0
219.10249	0.4
223.06055	2.5
224.06831	5.7
243.41292	0.3
245.15469	0.7
251.97885	0.4
255.10106	0.4
257.19113	0.8
259.17053	0.7
283.58121	0.3
299.23441	0.3
301.18112	1.4
302.18460	0.4
313.21762	3.7
314.22177	0.4
327.19675	0.7
327.23215	4.2
328.23492	0.5
330.05856	0.3
339.26816	0.7
383.25894	46.7
384.26184	7.0
397.24060	0.3
427.24860	100.0
428.25211	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	427.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	52.7
56.02090	1.0
63.02259	0.8
68.99667	0.5
69.34137	2.5
69.34546	0.8
79.01766	5.5
83.09782	0.4
85.02840	0.5
89.03828	0.6
91.05423	0.5
99.00754	8.9
100.01086	0.4
109.02856	1.0
115.05397	0.9
117.03362	0.5
119.04930	0.5
121.06471	0.5
123.04440	0.4
125.06003	0.7
131.08527	1.1
133.02846	12.3
135.08047	1.2
137.02347	0.5
141.07025	0.7
143.04883	0.7
144.05692	2.7
146.03607	0.7
147.04428	0.6
149.02245	0.4
149.05951	1.1
151.03920	0.8
151.75250	0.4
157.41060	0.4
159.04471	1.0
159.08054	6.0
160.05182	1.5
160.08452	0.5
161.05992	7.5
163.03935	0.4
165.05405	0.7
166.06271	2.8
167.07077	0.7
171.04402	1.5
173.02393	1.4
173.06104	0.4
175.07570	6.9
177.09125	1.1
179.07089	2.2
185.06084	0.5
187.03816	1.9
188.03111	0.7
188.04729	10.1
193.04964	1.3
203.07071	70.3
204.04253	1.0
204.07387	4.3
205.05025	0.7
205.10213	0.5
207.08118	0.9
217.10149	0.7
219.06578	2.1
220.03706	0.6
231.11771	1.4
232.08862	0.8
233.09669	2.6
235.11227	1.2
247.06087	100.0
247.11214	3.8
248.06424	6.6
248.11887	0.7
249.09198	1.1
257.09674	0.9
257.13318	0.6
258.10764	0.5
259.11292	1.6
261.12869	0.8
275.98508	0.4
277.08658	5.9
278.08984	0.9
279.10242	2.5
280.10468	0.5
284.67511	0.5
291.10254	4.6
292.10803	1.5
297.16602	1.1
299.14987	0.5
309.12711	0.4
313.12378	1.0
321.16537	0.8
323.14496	1.7
324.14990	0.5
339.17487	13.7
340.17953	1.9
365.15594	0.5
368.14127	0.8
383.16501	69.0
384.16788	10.8
427.15558	19.5
427.24686	4.5
428.15973	3.6
436.36551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.1
56.81984	0.4
56.82272	0.3
57.21189	0.3
66.73148	0.3
70.97340	0.7
70.97685	0.4
79.44978	0.3
83.10798	0.3
95.04937	0.9
99.08038	0.5
109.06445	0.3
120.05691	0.8
121.06519	0.6
123.04405	0.7
125.05972	1.1
133.06491	0.5
135.08051	41.6
136.05209	0.7
136.08401	2.2
137.02341	1.5
137.05971	1.1
149.05968	0.7
150.06737	1.9
151.07498	0.7
153.05498	1.2
162.06757	1.0
163.07541	0.8
164.04694	1.0
164.08342	1.3
165.05478	3.2
166.06245	0.9
167.06895	0.4
175.11169	0.5
176.08356	1.0
177.05557	0.6
177.09131	0.4
179.07050	71.6
180.07411	4.6
192.07739	1.7
193.08641	0.6
203.07140	1.4
209.04483	1.0
219.10161	0.5
223.06050	4.7
224.06831	1.6
231.10205	1.1
231.13904	0.8
233.11803	0.5
257.19061	1.2
261.14899	0.6
285.14896	0.6
299.23795	0.4
301.18301	0.5
313.21753	4.9
314.22034	0.5
327.23303	5.1
328.23483	0.4
339.26968	0.7
383.25894	33.9
384.26193	4.0
399.25439	0.4
409.34790	0.4
427.24847	100.0
428.25189	15.6
429.21786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.6
57.03335	1.6
59.01248	1.5
78.95771	1.0
79.95604	3.2
87.45193	0.8
90.69829	0.9
96.95884	28.5
98.95475	14.1
98.96185	1.5
99.08023	9.7
100.03922	28.2
107.12516	0.9
110.67774	0.9
110.97501	1.0
123.08021	1.2
128.04993	1.1
130.65979	1.0
146.05966	3.7
146.07043	1.0
152.04636	1.9
160.07561	1.9
166.06276	3.4
167.07048	20.8
170.06059	5.5
177.05557	1.7
181.56113	1.0
190.05017	4.8
191.07083	2.4
192.06496	8.9
192.08084	1.5
208.09732	5.3
212.10732	2.2
217.08699	1.7
223.11212	4.0
232.09680	1.3
234.11424	1.5
237.12772	7.6
252.13904	6.3
267.10220	12.9
268.10513	1.6
281.11804	30.5
282.12537	12.8
283.13287	4.6
294.12009	0.9
294.18701	1.0
296.12894	73.6
297.13287	7.5
326.14636	1.8
338.17599	43.0
339.17822	5.4
364.15762	2.8
382.16580	100.0
383.16891	15.7
426.10794	1.9
426.16013	2.1
427.10712	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	425.1819
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
51.43439	2.2
51.82390	2.3
55.94169	2.5
57.03311	4.4
59.01252	8.8
69.59916	14.3
71.01261	11.3
85.02829	3.6
88.88315	2.5
95.04890	4.2
97.02828	8.2
98.19853	4.5
101.02326	3.7
101.58628	2.3
105.06979	3.8
107.04924	5.8
108.05726	8.8
109.02827	9.0
111.04408	9.5
113.02273	3.2
113.05977	8.2
121.06453	3.0
122.03626	8.9
123.08031	9.6
125.02315	6.7
125.05962	18.1
136.05159	12.6
137.06000	3.0
137.41586	2.4
138.06758	15.2
139.07558	39.9
145.06404	2.5
148.05200	2.6
149.06029	3.5
149.68573	2.2
151.03874	2.7
151.07562	71.8
151.08769	4.3
152.04668	6.4
152.08345	38.9
152.55936	2.6
153.09100	13.5
158.40791	2.5
161.09654	3.6
163.07556	12.3
167.07079	2.7
170.36998	2.4
175.02303	3.4
189.05516	3.5
189.09081	4.7
201.12816	26.2
202.13203	3.0
203.10736	14.1
204.11487	39.2
217.04977	3.8
219.13853	75.9
220.14203	5.1
223.40083	2.7
243.13808	5.9
245.11743	11.6
250.13341	2.4
263.12891	100.0
264.13223	10.3
287.12979	9.1
298.44293	2.9
299.99075	8.4
300.99817	8.7
305.13931	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	424.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84105	4.4
59.01249	73.9
60.01576	9.5
61.01658	7.3
61.98699	100.0
71.21541	5.0
78.13891	4.7
81.23120	4.3
96.95880	28.9
96.96690	4.7
98.95468	17.6
126.68500	4.7
167.09291	5.1
267.64087	5.5
424.10934	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	425.0879
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
52.10054	0.7
57.03325	12.4
59.01238	1.2
61.98701	0.7
69.43592	3.0
69.44012	3.0
74.83826	0.8
81.03326	1.2
83.01260	4.7
86.33634	0.8
91.83279	0.7
93.03338	14.7
95.01248	1.5
95.04874	2.0
97.02832	1.5
98.97272	0.7
105.03336	2.9
109.02834	5.5
111.04380	1.5
121.02834	2.3
123.00770	1.3
124.01560	1.8
125.02333	100.0
126.02708	3.9
130.38651	0.8
132.01981	0.8
133.02821	1.0
135.04401	2.1
137.02342	33.2
138.02782	0.8
139.03920	8.1
151.03928	1.3
159.04378	1.1
161.02350	28.8
162.02818	1.4
164.01077	2.8
165.01834	19.4
166.02426	1.1
167.03412	10.1
175.03934	2.2
177.01871	1.0
177.05457	3.9
179.03450	8.5
183.04451	0.8
191.07108	2.2
200.04626	0.9
201.05516	1.5
203.03510	1.8
204.04216	1.7
215.06998	0.8
219.06540	6.9
221.04451	3.9
227.07230	0.7
243.06511	1.4
259.06067	3.2
261.07681	1.8
269.04587	1.7
287.05563	6.6
299.68823	0.8
305.06647	68.5
306.06897	5.6
396.63406	0.7
407.07605	0.7
425.08752	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	423.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14996	0.6
55.01757	5.9
57.03322	4.5
58.00452	1.2
59.01246	38.0
69.03319	2.0
69.40941	1.8
69.41363	3.3
71.01250	62.1
72.01595	0.8
72.99185	3.4
73.02815	37.3
75.00755	1.1
79.95598	2.9
81.03313	0.8
83.01248	14.7
85.02818	33.4
85.99969	2.2
87.00738	4.2
89.02314	12.7
95.01261	3.3
95.95124	1.0
96.95883	61.1
97.02831	2.8
98.95452	2.1
99.00755	13.6
101.02318	64.0
102.02647	1.2
111.00748	2.7
113.02326	21.0
114.02596	0.9
115.03874	1.5
119.03368	0.9
125.02329	4.7
127.11182	0.8
128.34277	0.6
129.01814	1.5
131.03406	3.3
143.03384	2.4
149.04469	1.8
159.02876	4.1
161.04462	21.8
162.04756	0.9
183.97681	0.7
199.13379	0.7
233.06638	3.6
255.06775	0.7
274.93884	0.7
291.18127	100.0
292.18475	8.3
293.08704	1.7
310.12109	1.6
311.62994	0.7
325.14368	3.4
335.17291	1.3
343.04556	0.8
343.15591	3.4
344.15640	0.8
391.08591	2.4
423.11163	12.8
423.22333	90.8
424.11536	2.4
424.22644	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	6.7
57.03317	3.7
58.00463	1.8
58.97208	0.5
59.01246	31.4
69.03335	1.4
69.23979	3.3
69.24399	1.6
71.01251	64.4
72.01608	0.9
72.99175	2.3
73.02814	34.9
75.00743	2.3
83.01246	13.7
84.02039	0.6
85.02818	33.0
85.99976	2.7
86.03131	0.6
87.00742	3.6
89.02312	11.3
91.42163	0.5
95.01250	4.8
97.02837	2.9
98.20184	2.8
99.00746	13.3
100.76762	0.6
101.02318	65.5
102.02662	1.0
111.00749	2.5
113.02324	25.1
115.03911	1.6
125.02309	4.0
127.11185	0.7
129.01820	1.8
129.12701	0.7
131.03421	4.0
143.03391	2.3
149.04449	2.0
150.98438	0.6
159.02895	5.8
161.04456	23.6
191.05528	0.6
205.03517	0.9
233.06621	3.1
276.91672	0.5
291.18121	94.6
292.18451	8.3
293.08807	1.3
301.30331	0.6
335.16937	1.1
423.22324	100.0
424.22675	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	423.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02832	0.8
59.01237	0.9
63.69952	0.4
64.58494	0.4
70.02853	2.5
71.01254	0.8
71.04891	3.6
79.95609	0.5
87.05521	1.2
96.95887	10.9
98.20599	1.0
98.95497	0.4
99.04391	1.2
113.03470	3.6
116.07065	0.5
117.03348	22.4
118.03677	1.1
119.04904	7.1
130.03226	1.8
145.02852	100.0
146.03204	4.8
146.08124	20.8
147.05865	0.8
147.08481	0.7
163.03903	3.2
166.22487	0.4
173.03915	1.0
195.13844	0.4
217.11914	4.6
221.67950	0.4
222.03993	0.5
222.05812	2.5
235.81883	0.4
255.06410	0.7
277.12247	19.4
278.12683	1.3
301.26071	0.5
321.47357	0.5
335.13629	0.4
423.11298	1.1
423.16034	2.2
443.35553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39312	3.2
58.02832	7.2
59.01240	6.5
69.82771	14.0
74.02352	9.1
77.99677	3.5
83.75748	2.9
86.02345	5.9
98.20552	5.4
99.05509	17.1
101.06994	3.2
113.03497	3.3
125.02322	17.1
128.03421	29.6
137.94463	2.9
143.04526	38.2
151.00281	5.0
153.00098	3.4
160.00609	13.0
167.04591	3.5
177.03439	3.5
178.99814	3.9
179.04497	6.7
183.01138	3.1
185.05554	3.5
191.53145	3.4
208.99065	52.3
210.08755	7.9
254.07712	15.2
255.03008	4.0
271.91794	3.2
272.08823	26.5
288.06659	9.8
296.02319	8.4
306.07605	100.0
307.08072	8.6
317.01086	6.3
404.04645	3.6
404.14908	4.9
422.05313	5.3
423.18640	3.8
424.75015	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	422.167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90810	1.1
59.01250	10.5
60.01581	1.3
61.01676	1.4
61.98703	100.0
69.59201	7.3
71.01252	2.9
73.02826	1.3
89.02335	1.6
96.95886	2.8
98.19904	2.2
101.02283	1.2
125.02373	1.3
170.04625	1.0
342.14066	1.3
422.09082	1.5
423.22769	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	423.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72246	1.8
54.53024	2.1
55.78073	1.8
57.03307	5.9
59.01246	2.0
70.97140	5.2
72.82304	2.0
83.01235	2.3
107.01288	3.2
116.06541	2.1
121.02841	2.5
125.02338	25.0
134.34232	2.1
149.02327	5.3
151.00287	14.4
152.01003	3.2
153.00073	7.3
153.01776	4.5
155.01637	4.2
169.01297	2.4
173.02411	2.1
175.00352	11.5
176.01030	4.6
177.01907	2.3
178.99794	18.7
180.99545	9.0
183.01161	11.3
184.01494	2.3
187.04027	2.4
190.02399	2.5
201.01865	2.7
207.01195	5.7
208.99075	100.0
209.99387	4.3
211.03880	2.2
231.01041	4.3
233.04459	3.7
257.04562	2.3
259.02448	4.5
273.02182	4.3
276.02258	2.2
277.03574	2.4
283.02539	9.7
285.04059	9.5
291.03311	3.8
297.00757	24.6
299.00198	2.1
317.01172	23.6
318.01218	2.1
335.02200	7.5
346.72150	2.1
405.02829	10.6
423.03827	21.7
423.09589	4.3
424.04425	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	421.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	1.0
62.96137	0.5
71.01254	0.8
71.20947	1.0
80.13285	0.5
91.03874	3.8
96.95868	0.7
102.19806	0.5
112.27557	0.5
230.02150	0.8
262.01270	0.8
287.22272	15.1
288.22781	1.3
421.08505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65755	1.6
55.01745	7.8
56.88094	1.8
57.03300	7.1
59.00965	2.0
59.01250	37.7
69.52040	11.4
71.01252	100.0
72.01572	2.2
73.02822	40.2
75.00744	2.7
79.95623	3.2
81.03311	1.9
83.01251	10.2
85.02824	45.5
86.03165	1.7
87.00732	5.7
89.02320	25.7
89.81721	2.0
94.05212	1.8
95.01237	8.0
96.95869	5.4
97.02826	5.3
99.00757	22.3
99.04339	1.9
101.02325	60.9
110.18874	1.7
113.02332	37.4
115.03849	2.8
125.02326	12.9
129.01808	2.1
129.52545	1.8
131.03394	4.7
143.03368	6.7
149.04414	4.0
151.00217	5.1
159.02916	9.3
161.04468	46.1
161.05814	2.6
166.00873	14.1
171.46603	1.6
191.05559	4.8
205.03479	2.9
230.02129	3.8
233.06636	8.5
262.01251	2.7
274.01062	2.9
289.16556	71.3
290.16934	3.7
293.08878	4.2
318.01926	3.1
333.04349	22.0
334.00931	2.2
334.04742	3.7
342.04333	1.9
351.75369	1.9
421.06461	3.0
421.09586	4.5
421.20731	90.9
422.21115	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	26.8
62.82655	1.3
71.01261	1.5
71.49699	2.0
89.02357	1.6
93.03336	3.0
101.02332	1.8
107.01264	1.4
121.02808	3.6
122.03653	12.0
123.04381	5.3
125.02325	2.3
133.02875	2.0
137.02328	2.7
139.82585	1.4
149.02345	19.6
150.03128	94.0
151.00256	4.4
151.03951	24.0
161.02330	1.7
164.04671	4.7
165.01779	3.5
165.05482	100.0
166.05901	7.1
174.03154	1.6
179.03430	2.0
179.07045	2.1
180.04153	8.5
181.04979	10.4
185.11713	2.5
189.01840	1.5
195.06549	49.0
196.06873	3.0
201.01839	1.7
202.02571	2.2
224.06754	1.3
225.07645	36.7
226.08038	1.8
230.02162	4.9
246.49725	1.3
259.05933	1.4
262.01065	4.1
272.02814	2.3
274.01071	3.1
275.01694	2.3
300.02316	2.1
333.00778	3.1
334.01062	9.7
335.00620	3.7
341.09982	1.6
361.18643	6.3
373.13016	6.3
395.76495	1.5
421.08319	7.5
421.15027	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	421.2078
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01751	6.7
57.03315	8.0
58.00455	1.9
59.00961	2.5
59.01249	41.9
62.92130	1.6
69.03320	2.4
71.01249	100.0
71.50676	2.2
72.01577	2.5
72.99166	4.0
73.02815	39.7
75.00749	2.7
75.03078	1.3
81.26260	1.6
83.01254	17.8
85.02823	42.9
87.00745	5.3
89.02311	24.8
91.46809	1.4
95.01259	9.3
96.95888	5.1
97.02820	6.5
99.00750	16.8
99.04393	2.6
100.97546	1.3
101.02317	65.2
102.02663	1.4
103.36768	1.3
107.01267	2.2
107.54671	1.4
111.00754	2.1
113.02322	36.7
115.03891	3.4
119.03398	1.7
122.03698	1.4
125.02332	14.7
127.11170	2.2
131.03387	6.8
143.03391	5.9
149.04459	3.3
151.00288	3.2
152.13571	1.6
159.02925	8.7
161.04456	42.2
162.04861	1.7
166.00850	10.9
201.01790	2.1
205.03439	3.2
230.02177	3.6
231.01068	2.9
233.06606	7.9
262.01096	1.9
289.16544	63.6
290.16971	4.8
293.08679	3.4
318.01913	3.4
333.00714	2.7
333.04358	16.9
395.54306	1.7
421.09470	6.2
421.20749	89.9
422.21283	10.7
438.13303	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	420.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18736	0.3
52.23965	0.3
53.13527	0.3
56.57692	0.3
59.01262	0.4
63.02273	1.5
64.66127	0.3
65.00191	3.6
69.20567	1.0
69.20981	2.2
83.01248	2.4
93.03307	0.7
97.01021	0.4
101.97675	0.3
107.01263	7.4
121.02818	0.4
125.00549	3.1
125.02340	1.1
149.02266	0.3
151.00264	23.9
152.00667	0.9
153.00055	10.8
153.01308	0.4
154.00429	0.5
165.01865	0.8
169.01367	1.6
169.02582	0.4
173.13177	0.3
178.98148	0.7
178.99741	9.1
179.98785	5.1
180.99545	5.2
181.99881	0.3
192.00526	0.9
192.20929	0.3
193.01392	1.5
199.03914	1.1
201.01808	0.4
206.97467	0.7
208.99181	0.4
227.03461	1.5
230.02119	0.6
243.02992	1.9
255.03073	1.8
257.11993	0.4
258.12054	0.8
262.01849	0.4
271.02472	8.5
272.03000	0.9
299.01947	7.9
300.02710	12.8
301.03192	1.2
314.99713	1.0
333.00720	100.0
334.01019	8.8
342.57684	0.3
373.13046	0.5
420.03918	10.6
421.03854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97936	0.8
52.70467	0.7
54.83086	0.7
59.01249	100.0
60.01600	1.1
62.60253	0.6
62.87145	0.7
66.96622	0.8
67.45254	0.6
96.71347	0.8
115.15585	0.8
134.92528	0.9
154.80951	0.6
178.92772	0.6
213.09128	1.0
285.20697	19.8
286.21185	2.0
333.00690	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33895	0.3
59.01249	100.0
60.01586	1.2
71.01257	1.9
71.55611	0.4
83.59350	0.3
85.02824	0.5
89.02321	2.7
92.55283	0.4
97.06501	1.9
98.19796	0.9
99.08067	0.8
101.02338	1.1
113.02356	1.1
119.03405	1.0
120.82128	0.4
121.02809	0.4
122.03652	0.8
149.02406	0.4
153.12750	20.2
154.13138	0.9
162.43227	0.4
179.10686	6.2
197.11758	41.3
198.12106	2.6
201.80232	0.5
213.09254	0.5
238.79936	0.4
257.07678	0.4
289.32391	0.4
339.08896	0.5
419.13947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87188	0.4
59.01247	100.0
60.01590	1.1
69.18547	0.3
70.52413	1.2
71.01250	4.1
72.99181	0.6
73.02810	0.4
85.02819	1.0
89.02312	6.8
97.06493	1.8
97.92799	0.4
99.08017	0.4
101.02330	2.3
113.02328	1.4
119.03381	3.4
125.02346	0.6
153.12747	21.1
154.13145	0.7
161.04417	0.4
179.05576	1.3
179.10690	7.1
197.11758	30.1
198.12125	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	419.1345
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01744	0.2
57.03308	0.2
58.39237	0.1
59.01250	0.6
63.02272	0.2
65.03829	0.1
67.01759	0.2
69.61920	0.3
69.62328	0.5
71.01253	1.2
73.02811	0.3
80.02567	0.1
81.03331	2.2
83.01263	0.3
85.02807	0.6
89.02331	0.6
91.01767	1.5
91.05405	0.2
93.03320	0.5
95.01266	0.4
99.00726	0.1
101.02325	0.6
108.02046	1.3
109.02834	0.3
113.02340	0.4
122.03623	20.2
123.00786	0.5
123.03974	0.8
124.01612	0.2
125.02332	1.4
129.06992	0.2
135.04417	0.2
136.01575	0.3
137.01392	0.2
137.02353	1.9
148.01622	0.1
149.04466	0.2
152.35361	0.1
153.01810	0.5
154.02615	0.5
156.05676	0.7
167.08571	0.2
169.06497	1.6
169.10136	2.4
170.10562	0.2
171.08064	10.1
172.08388	0.9
195.08080	0.4
197.09589	0.1
198.06822	0.2
211.07530	0.6
212.08231	0.2
213.09145	100.0
214.09482	8.6
237.09126	0.2
239.07097	7.2
240.07439	0.7
255.10307	0.3
257.08173	4.3
258.08453	0.4
281.08234	0.2
299.09210	0.2
419.13446	61.5
420.13763	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	417.2495
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01757	4.7
57.03309	4.8
58.00452	3.5
59.01249	57.1
61.01638	1.1
69.03326	0.9
69.74523	1.0
71.01253	100.0
71.49315	1.2
72.01582	1.1
72.99184	5.5
73.02397	1.4
73.02815	22.5
74.96252	0.9
75.00737	2.8
81.03318	1.3
83.01249	10.0
85.02818	36.8
87.00745	4.7
87.04388	2.3
89.02316	38.0
91.67049	1.0
95.01271	7.6
95.19889	0.9
97.02827	1.3
99.00769	7.0
101.02322	63.7
102.02652	1.3
110.84676	0.8
112.66846	0.9
113.02328	38.1
119.03392	16.0
125.02335	3.9
129.01849	1.3
131.03415	1.1
143.03409	7.1
144.43213	0.8
151.00293	1.5
159.02899	9.1
161.04460	48.0
162.04753	2.2
165.52100	1.0
179.05463	4.5
205.03441	1.8
211.07562	3.2
237.05473	2.2
255.06578	4.6
255.19589	3.5
271.06085	0.9
292.01779	0.9
312.54440	0.9
417.12180	3.5
417.24939	48.1
418.25208	7.3
430.82901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1347
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
51.13073	0.9
71.26609	2.2
81.03316	2.1
91.01798	1.1
108.02053	1.1
122.03626	17.9
125.02376	1.1
132.22508	1.1
137.02361	1.4
146.68011	1.1
169.06412	1.0
169.10121	2.5
169.47092	0.9
171.08090	6.8
172.08421	1.0
182.77686	1.0
213.09146	100.0
214.09555	6.5
229.31146	1.0
238.57910	0.9
239.07036	6.1
257.08179	2.7
300.34299	1.0
358.29340	1.0
419.13422	44.5
420.13855	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77449	1.1
55.01767	1.3
58.70792	1.0
59.01250	100.0
71.01254	32.7
72.99171	1.3
73.02821	3.8
73.35451	0.9
74.87147	1.1
83.01259	2.6
85.02820	8.7
87.00755	1.2
89.02318	26.2
90.11302	1.0
95.01228	1.3
99.00751	2.1
101.02324	20.1
113.02322	13.2
119.03381	10.8
123.04356	2.5
125.02328	4.5
131.03447	1.7
137.02306	1.2
143.03386	3.9
149.04420	1.6
149.09654	1.0
159.02882	1.6
161.02385	1.1
161.04457	18.9
167.03493	1.1
177.09152	5.3
179.05495	7.9
195.10211	2.2
229.43182	1.2
269.04544	1.3
331.73135	1.1
357.15570	26.8
358.15982	1.6
414.74432	1.0
417.12033	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.0
59.01250	100.0
60.01555	1.1
62.58845	1.0
65.53990	1.1
71.01244	4.9
73.02795	1.0
85.02822	2.5
87.00744	1.1
89.02305	2.8
99.00749	1.1
101.02316	3.1
105.61565	1.0
119.03391	1.5
120.99516	1.6
121.02817	1.2
123.69717	1.1
125.02336	2.8
136.01573	1.7
139.05252	1.1
151.03864	1.1
151.11214	9.8
182.61972	1.0
191.07159	1.1
192.02425	1.8
195.10185	21.2
203.59625	1.1
207.04739	1.9
211.07570	4.3
218.05701	1.4
229.19701	1.3
233.08052	1.7
354.25162	1.2
417.12061	2.4
417.21164	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.119
Annotation	CHEBI:68138
Peak:m/z	Relative Intensity
57.26220	0.4
59.01233	1.0
60.14707	0.5
61.12049	0.4
62.08020	0.4
69.45527	1.6
69.45970	1.6
71.01236	0.5
71.87312	0.4
80.12142	0.4
93.13559	0.5
95.05730	0.4
101.99368	0.4
105.29945	0.5
106.58842	0.6
112.91165	0.4
141.06996	0.5
165.06982	1.4
167.08575	4.1
169.06490	10.7
170.06877	0.5
193.06456	1.1
196.05238	0.6
204.61354	0.5
209.05977	2.6
210.06523	0.6
211.07582	100.0
212.07913	7.4
237.05582	3.1
255.06587	2.4
296.35468	0.5
417.11917	47.0
418.12247	7.0
441.90445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1191
Annotation	Pleuropyrone A
Peak:m/z	Relative Intensity
51.85729	0.6
53.18922	0.6
54.96886	0.5
59.01250	1.1
64.32541	0.5
66.06686	0.5
70.83002	1.4
72.12440	0.5
77.70931	0.5
101.03909	0.5
126.08054	0.5
167.08557	4.6
169.06500	12.0
170.06810	0.7
193.01082	0.5
209.06128	1.1
211.07579	100.0
212.07933	8.1
237.05540	3.2
238.35912	0.5
247.03732	0.5
255.06639	2.5
255.10085	0.9
269.08994	0.6
307.90994	0.6
412.44608	0.6
417.11905	41.0
418.12262	6.0
433.04922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0825
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.08470	0.6
57.03295	0.7
59.01247	4.1
65.00209	0.8
70.69282	0.6
71.49641	1.0
73.91905	0.6
76.37297	0.7
78.19435	0.7
79.95660	0.8
84.80183	0.7
85.02804	1.6
101.02321	0.9
108.71230	0.6
125.02325	1.7
151.00275	2.0
163.00345	1.0
165.01939	0.7
167.08575	1.3
169.06541	2.0
183.04486	1.0
187.03984	1.0
211.03996	1.9
211.07574	18.1
227.03445	77.3
228.03796	7.2
229.04822	1.2
229.58820	0.7
233.23555	0.8
239.03633	0.9
255.02962	99.9
256.03503	15.2
257.04492	1.4
284.03244	97.1
285.03906	25.1
286.04288	0.9
296.14252	0.9
327.05096	1.1
417.08148	100.0
418.08533	13.2
418.13593	1.2
418.24246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27471	0.6
69.40023	5.2
73.74532	0.5
74.98969	7.0
77.00531	74.3
99.04397	2.6
111.06802	0.7
121.53882	0.6
147.04405	1.7
147.08061	1.9
149.09644	1.5
161.09615	1.0
163.11131	2.1
187.11192	1.8
187.23398	0.6
279.13776	1.0
280.14722	0.9
289.21710	2.3
307.16913	1.5
309.22287	2.7
322.19278	1.0
337.21698	100.0
338.22046	13.5
357.34155	0.7
371.25858	2.6
415.23114	14.0
416.23438	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	415.1023
Annotation	Eupalestin
Peak:m/z	Relative Intensity
59.01239	2.0
60.00203	0.7
60.11544	0.7
70.18993	0.7
70.97951	2.1
71.01252	1.2
79.15506	0.7
85.02830	1.8
85.87582	0.7
96.62806	0.8
101.02360	1.4
125.02395	1.2
129.51311	0.8
133.05203	1.1
138.46906	0.9
164.00378	0.9
165.07001	18.9
166.07294	0.8
167.04907	7.2
180.05647	0.9
191.04930	2.7
208.05272	1.4
209.06013	100.0
210.06345	7.4
235.03952	7.5
235.07666	2.0
253.05072	3.6
255.06625	1.5
263.07199	1.1
296.82077	0.9
415.10345	36.2
415.15887	2.1
416.10855	4.8
418.68201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01747	5.2
55.30577	1.2
55.78041	1.2
57.03311	5.8
59.01250	36.7
60.78253	1.3
61.85884	1.3
69.03320	3.0
71.01252	100.0
71.49226	1.8
72.99171	4.3
73.02819	42.5
75.00732	2.1
81.03318	2.3
83.01247	13.1
83.04888	1.2
85.02826	44.9
87.00735	3.6
89.02316	19.1
92.88715	1.4
95.01241	6.4
97.02814	5.0
99.00754	22.2
99.04353	1.5
101.02325	71.1
113.02331	36.3
115.03890	3.6
119.03447	1.4
125.02344	7.5
131.03392	4.9
143.03375	4.5
149.04474	2.5
158.04860	1.3
159.02905	6.7
161.04468	49.3
191.05537	1.6
205.03464	3.0
222.42336	1.3
233.06680	7.0
247.29898	1.2
269.10239	2.5
283.11871	79.4
284.12225	7.7
293.08698	2.7
316.64526	1.6
415.16098	91.3
416.16516	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	415.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74809	0.4
55.01773	0.7
57.03308	1.1
58.00468	1.9
59.01252	36.5
60.01579	0.4
69.50845	2.6
71.01256	25.8
72.99179	2.9
73.02811	1.4
83.01260	2.1
83.04907	0.4
85.02825	6.2
87.00759	0.9
89.02316	17.1
91.61036	0.4
93.89975	0.4
95.01241	2.0
99.00727	0.7
101.02323	15.4
101.59977	0.4
111.00637	0.4
111.77312	0.4
113.02330	8.5
117.34341	0.4
119.03384	6.9
121.02849	1.1
121.06471	1.3
123.08121	0.5
125.02341	0.4
137.09641	1.8
149.04495	0.6
179.05577	0.5
181.08583	0.9
191.14334	3.8
198.05527	0.4
211.07628	1.9
235.13358	18.0
236.13614	1.6
253.05093	0.5
253.14447	5.2
353.04996	0.4
370.41187	0.4
397.18881	0.6
415.19720	100.0
416.14374	0.7
416.20041	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71072	1.7
59.01250	100.0
60.35829	1.7
60.42602	1.6
69.77926	1.9
70.04665	1.9
70.23604	8.7
78.97062	1.8
80.53439	1.6
100.31004	1.8
123.81870	2.2
177.44189	2.2
257.44766	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	414.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50456	2.0
55.52724	2.1
57.03299	2.3
67.01749	2.8
71.49245	3.3
74.92976	2.0
79.95622	3.3
83.01244	3.0
95.01233	3.0
96.95287	4.3
96.95885	52.4
99.00761	18.0
107.00306	2.3
107.01283	2.2
107.04924	2.7
109.02818	4.4
111.00762	12.1
113.02328	2.6
121.02847	5.5
121.03872	2.0
123.00762	7.5
124.01560	2.7
125.02334	39.9
131.05856	2.0
137.02344	12.1
139.00269	34.3
139.01268	4.0
139.03893	5.4
141.01834	41.7
147.04333	3.0
149.02353	3.9
151.00276	14.3
152.01035	2.7
153.01848	27.4
163.00261	7.0
165.01825	18.7
166.99760	25.8
167.03427	25.6
168.00598	5.1
169.01265	9.0
174.83192	2.4
175.03893	3.7
177.01854	18.4
178.99797	11.6
181.01363	13.2
189.01822	9.9
190.99733	8.9
191.03493	12.4
193.01344	91.2
194.01740	3.0
194.99290	31.4
195.02975	4.8
195.99513	2.7
197.00870	4.2
201.05518	3.3
203.03499	4.5
207.02827	4.4
209.00833	27.7
217.01337	9.1
218.90137	2.1
219.94023	2.4
222.09410	2.6
231.03032	4.8
235.02408	4.7
245.04506	5.6
246.99130	17.8
255.03041	2.9
271.02667	3.5
273.04044	9.9
307.04584	4.2
317.03000	44.4
318.03406	5.1
322.07343	2.7
333.02438	2.5
335.04056	68.3
336.04340	3.6
414.99747	100.0
415.05542	4.8
416.00049	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	411.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	47.3
59.77397	2.7
71.01252	37.3
71.50570	4.5
72.64505	2.3
72.99200	2.7
74.02368	2.9
77.23665	2.3
83.04927	3.6
85.02814	10.7
89.02319	24.6
90.90881	2.6
94.65609	2.4
95.01290	4.5
95.52222	2.3
98.70535	2.4
99.04455	2.4
101.02309	17.0
105.07005	2.5
105.22908	3.1
113.02315	20.5
118.41097	2.5
119.03387	9.2
120.05685	2.2
139.27695	2.6
147.11739	3.5
158.36041	2.4
161.13255	48.5
162.13570	3.8
162.92392	2.5
177.58209	2.4
179.05527	4.8
185.13261	4.5
187.11214	26.9
188.11598	2.8
205.12268	100.0
206.12688	5.9
229.12302	19.1
247.13380	4.4
249.11279	34.7
250.11603	4.7
341.97144	2.5
411.15909	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29921	1.4
59.01248	100.0
70.42455	1.6
71.13242	3.8
80.96394	2.8
85.02798	3.6
145.24715	1.6
146.38605	1.7
193.01611	1.9
233.19507	1.7
346.17914	1.7
411.25415	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	413.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13285	0.8
53.52239	0.8
53.63806	0.8
55.01733	1.3
57.03269	0.9
58.00465	1.5
58.99782	0.8
59.01247	42.1
60.03718	0.9
61.72680	0.8
63.23387	0.9
69.03316	4.0
70.82893	2.1
71.01251	44.1
72.99168	2.6
73.02808	5.2
75.00756	1.2
81.03323	2.5
83.01233	3.1
85.02805	4.7
87.00759	1.0
89.02316	57.6
95.01250	1.2
97.02821	8.9
99.00751	10.4
99.04360	1.1
101.02317	10.3
111.04332	1.1
113.02307	5.2
115.03896	4.5
119.04911	100.0
120.05224	3.7
125.02332	30.6
127.03856	1.3
131.03397	5.9
143.03421	2.3
149.04454	7.9
155.03349	1.0
191.05539	6.3
193.56517	1.3
233.06609	26.0
234.19864	0.9
264.40173	0.9
284.41583	1.0
285.35864	1.0
293.05670	1.7
293.08765	25.2
294.09213	1.2
346.98520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33923	18.4
55.35123	18.0
57.00805	17.2
59.01230	52.3
63.14987	17.2
69.28140	100.0
69.28564	64.0
71.01243	18.2
85.02804	24.4
96.95869	71.9
116.92618	16.2
119.04903	27.1
150.69244	15.3
158.79207	18.9
163.03903	28.6
173.04494	34.4
179.15489	17.6
191.05479	38.2
209.43269	18.3
212.77428	21.4
217.85428	17.6
219.02948	19.2
263.01932	29.1
409.09476	47.9
413.45578	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	6.0
57.03320	3.9
58.00474	1.0
59.01249	35.2
61.98650	0.6
68.99698	0.6
69.03307	1.7
71.01252	60.8
71.29601	1.3
72.01598	1.3
72.99181	3.0
73.02818	33.6
74.03158	0.7
75.00739	2.0
79.95592	3.4
80.21944	0.5
83.01259	13.6
83.40164	0.6
85.02821	34.0
85.99982	1.9
86.03117	0.9
87.00742	4.0
89.02317	13.4
95.01246	4.7
97.02815	2.9
99.00760	14.3
101.02323	65.8
102.02686	1.4
111.00761	2.0
113.02330	24.3
113.09604	1.6
114.02664	0.8
115.03905	1.8
119.03398	1.1
125.02364	3.3
129.01822	1.8
131.03427	3.0
132.72903	0.5
135.02646	0.6
137.09607	1.5
141.01784	0.7
143.03421	2.7
149.04523	1.1
159.02904	5.4
161.04472	20.4
161.05870	1.0
162.04803	0.7
171.07971	0.6
185.11642	0.7
187.11134	0.9
191.05495	0.9
205.03534	1.1
233.06630	2.6
243.36676	0.7
277.16547	100.0
278.16895	6.1
293.08908	0.6
321.15405	1.1
409.05090	4.0
409.20758	89.8
410.21082	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	409.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32940	1.2
55.01751	2.9
57.03315	1.9
59.01250	36.7
69.75787	9.2
72.99175	19.2
78.13255	1.4
83.01253	42.6
90.85693	1.7
93.03315	2.6
98.19846	2.0
103.43857	1.7
107.04889	3.3
108.02040	4.2
115.03892	8.2
119.04926	2.7
125.99471	3.3
135.04420	29.4
136.01550	8.8
159.08060	5.1
164.04701	90.1
165.05026	2.5
171.04303	1.6
173.06006	1.8
174.48178	1.5
186.06747	13.6
189.12784	1.9
199.14960	2.4
227.14299	11.0
228.14690	1.9
229.15977	13.9
233.11797	100.0
234.12163	9.3
245.15453	3.5
255.13864	35.4
256.14185	4.6
273.14911	12.0
274.90411	1.9
287.16669	9.7
289.14471	2.4
297.11209	1.8
299.12839	2.7
305.17462	8.5
321.17065	17.4
331.15396	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	407.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.3
59.01840	0.5
65.00205	2.5
69.27971	4.6
71.01255	1.2
75.54100	0.7
76.30390	0.6
76.35392	0.5
83.01257	1.9
89.02290	0.7
93.03339	2.1
96.95882	1.4
99.96711	0.5
105.03374	0.8
107.01257	3.7
113.02360	0.6
121.02850	3.7
122.03628	11.3
124.01561	0.8
125.02337	2.2
133.02818	2.3
134.03609	0.6
135.04417	1.2
136.01547	1.3
137.02351	0.8
149.02341	21.5
150.03125	80.8
150.99022	1.1
151.00266	20.4
151.03418	3.8
152.00612	1.5
153.00269	0.6
155.13013	0.6
164.04680	4.4
165.05478	100.0
166.05830	4.4
167.01631	49.5
167.42307	0.6
168.01970	2.9
169.01337	0.7
177.01627	0.7
180.04179	7.5
181.04955	2.2
181.38344	0.6
192.72809	0.5
192.99522	2.2
195.06552	63.4
196.06944	4.3
211.09677	1.6
219.01160	0.9
220.43834	0.6
237.02086	0.7
255.03290	9.2
281.01172	2.6
319.02814	19.3
320.02835	1.6
359.15015	3.1
360.15201	0.9
407.04367	7.6
407.26483	3.9
408.04807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Daumone 4
Peak:m/z	Relative Intensity
57.03321	0.7
58.00454	2.1
59.01252	39.3
70.97562	1.0
71.01254	25.3
72.99174	2.0
73.02818	0.8
83.01248	1.4
85.02824	5.2
85.23211	0.5
87.00751	0.5
89.02318	19.1
95.01237	1.4
96.95885	0.6
101.02325	13.6
111.08023	1.2
113.02327	8.1
113.93755	0.5
117.75130	0.5
119.03397	8.9
123.04453	0.5
131.03352	1.0
143.03430	0.9
149.04497	0.5
150.03055	0.5
161.04491	0.6
165.01846	1.5
165.12753	7.8
179.03404	0.4
179.05515	1.3
179.07002	0.5
180.04111	0.9
183.13840	11.8
195.06537	1.5
202.18430	0.5
209.11739	4.4
225.07674	1.1
227.12839	37.5
228.13187	2.0
245.13953	4.5
389.18134	1.2
390.74597	0.5
403.62500	0.5
407.19220	100.0
408.19568	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01588	1.1
60.53746	0.4
71.01251	3.7
71.02508	1.1
73.02839	1.3
79.82571	0.4
81.03339	1.7
83.01258	0.5
85.02824	1.6
87.00768	0.4
89.02357	0.5
99.00744	0.6
101.02334	2.9
106.36149	0.4
109.02877	0.5
113.02360	1.5
123.04404	9.0
124.04692	0.5
127.17944	0.5
147.67482	0.4
148.10732	0.4
161.04439	2.1
185.11804	0.5
187.74373	0.5
215.85916	0.4
231.03180	0.4
243.03032	1.0
245.08180	6.6
275.01837	0.5
275.61484	0.5
347.17105	16.5
348.17557	2.0
407.06244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51537	0.2
55.01750	0.7
57.03323	4.4
59.01238	0.7
59.08808	0.3
60.14092	0.3
68.99666	0.3
79.01762	5.4
87.04381	0.6
99.08047	0.4
105.09342	0.2
109.02845	0.5
121.06487	0.7
123.08055	0.2
125.05959	0.6
131.04831	0.3
132.12491	0.3
133.06416	0.3
147.04378	0.7
149.05988	7.5
150.03156	1.3
150.06387	0.3
152.99510	0.4
155.08540	0.4
159.08054	1.0
161.05992	0.7
166.06244	0.7
167.07040	4.3
171.04414	3.0
173.09601	1.1
178.02583	0.4
183.08060	1.5
193.04999	9.1
194.05318	0.5
196.08882	0.7
197.09590	0.4
198.06892	0.3
200.08377	0.5
206.05785	0.3
209.09642	0.3
211.11182	1.4
229.12279	0.4
231.26183	0.3
238.09906	0.4
253.12312	10.5
254.12646	0.9
255.10316	0.7
297.11310	100.0
298.11655	9.7
298.14374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.9
61.98690	2.4
65.64268	0.8
69.19522	0.8
70.25226	3.0
70.25568	0.9
73.02821	2.5
93.03349	3.3
95.01231	1.2
95.04886	1.8
105.03353	1.2
106.25079	1.0
116.78350	1.0
120.33925	0.9
121.02840	12.5
122.03607	4.1
135.04428	0.9
143.43192	1.0
147.04379	1.1
149.02344	100.0
150.03136	30.4
151.03439	2.0
164.04704	15.7
165.05482	26.3
166.05911	1.3
167.34531	1.0
180.04257	2.4
195.06548	18.6
209.08154	2.0
257.87234	1.1
298.08578	0.9
325.10663	4.0
342.11047	19.0
343.11734	6.8
357.13428	68.0
358.13754	9.1
405.16052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86575	0.9
57.37189	0.8
57.68408	0.9
59.01246	4.4
60.85057	0.8
61.98687	1.3
71.01266	1.9
75.67923	1.0
83.64342	0.8
89.02299	0.8
93.03333	3.9
98.20597	1.6
98.38140	0.8
111.98497	0.9
120.01112	1.4
121.02844	7.4
122.03625	13.1
133.02875	0.8
134.03694	0.9
135.04373	1.2
136.01549	2.2
137.02399	1.2
147.94182	0.9
149.02342	40.9
150.03125	89.7
151.03529	3.6
164.04764	5.6
165.05482	100.0
166.05806	5.7
180.04170	7.0
195.06554	39.2
195.08345	1.9
196.06891	1.7
197.11707	1.5
209.08203	1.2
220.92728	0.8
240.11267	1.0
283.09738	2.7
284.10202	6.7
325.10873	1.3
325.14282	1.1
342.11017	3.2
343.11685	2.7
356.71085	1.1
357.13455	14.1
358.13611	1.1
405.10397	1.3
405.28580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30484	0.4
59.01245	1.3
65.00195	5.0
69.96443	0.9
69.96820	1.8
78.58646	0.4
83.01248	2.3
92.63840	0.4
93.03333	0.5
106.82193	0.4
107.01271	7.5
107.04903	1.5
113.02305	0.3
121.02819	0.7
122.03625	1.7
125.02316	2.4
133.02847	1.5
135.04387	1.9
136.01651	0.4
139.02150	2.5
141.00060	1.1
149.00563	0.9
149.02353	3.1
150.03128	12.7
150.77115	0.4
151.00270	43.1
152.00607	1.6
162.87689	0.4
165.05463	12.3
166.00905	0.7
167.01627	100.0
168.01955	5.2
169.01334	1.1
177.00096	1.2
177.01848	1.0
180.04219	1.1
181.02194	0.4
181.05019	0.4
191.01704	0.5
192.99605	4.5
195.06549	7.8
209.56693	0.4
219.01135	1.1
229.01648	0.9
229.96440	0.4
237.02209	1.7
255.03305	19.8
256.03650	1.3
281.01312	4.2
285.03769	0.9
287.05524	0.5
319.02792	42.4
320.03186	3.8
326.13446	0.5
407.04346	15.0
408.04578	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	405.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
64.78331	0.2
70.42168	0.3
70.42528	0.5
71.01266	0.4
73.02797	0.3
85.02821	4.1
86.03160	0.2
87.00751	1.3
93.03343	1.3
109.02850	0.3
111.04388	0.3
127.03895	1.7
146.53697	0.2
171.02916	0.4
173.04489	0.9
185.42520	0.2
186.53421	0.2
189.03925	0.2
191.05534	100.0
192.05888	4.1
278.57199	0.2
285.46671	0.2
299.07401	0.2
302.83368	0.2
405.10126	12.1
406.10474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1187
Annotation	Oxyresveratrol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.05355	0.4
53.45793	0.4
59.01242	1.8
71.01221	0.6
71.11915	0.9
84.75895	0.5
89.02324	0.5
107.04922	0.6
109.02846	0.7
119.04906	0.9
120.85313	0.4
121.02858	0.5
125.02341	1.5
135.04405	0.9
143.04980	0.7
157.06438	0.8
159.04410	11.2
160.04680	0.5
161.02350	1.2
171.08078	0.7
172.05191	0.7
173.06003	2.5
175.07521	3.3
181.06500	1.0
183.04430	1.0
185.05965	1.1
197.05910	0.7
199.07559	3.2
200.04716	0.9
201.05487	10.7
202.05811	0.8
223.03081	0.4
225.05493	2.5
235.69879	0.5
240.99951	0.6
241.04973	0.5
243.06584	100.0
244.06926	9.8
318.67981	0.5
349.33194	0.5
390.53198	0.4
405.11664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.119
Annotation	Astringin
Peak:m/z	Relative Intensity
59.01251	8.6
61.98709	0.5
64.61599	0.3
67.71934	0.4
71.01254	2.3
73.02833	0.5
75.00751	0.4
81.40634	0.4
85.02817	0.6
89.02334	2.7
92.11540	0.4
98.19757	0.7
101.02314	1.3
107.04916	0.7
113.02339	1.0
119.03407	0.9
119.04852	0.7
135.04410	0.8
157.06587	0.8
159.04428	8.6
161.02319	1.0
161.04610	0.5
167.01627	0.5
171.10149	0.6
172.05171	0.5
173.05978	2.1
175.07527	2.6
181.06482	0.6
181.12187	0.5
183.04486	0.8
185.05920	0.7
190.40271	0.4
198.06662	0.5
199.07596	2.5
199.13264	0.4
201.05502	9.1
201.11290	0.7
202.05786	0.6
215.07076	0.7
225.05568	2.3
225.11288	2.8
233.46342	0.4
243.06604	100.0
243.51535	0.4
244.06935	7.5
287.14963	1.1
373.09482	0.6
405.11945	1.9
405.17538	1.2
405.25211	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	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01250	1.7
61.98712	0.7
64.28375	0.4
65.00179	0.7
65.03825	2.9
67.01768	1.5
68.99701	0.9
71.01254	0.9
71.49758	0.6
80.02577	0.3
85.02827	0.6
87.09107	0.4
89.02343	0.4
91.01770	43.1
92.02103	1.2
101.02328	0.5
107.01305	0.5
107.04904	2.4
108.02052	3.8
109.02835	28.8
110.03196	1.0
113.02322	0.5
119.04901	0.5
121.02835	1.6
123.04411	0.6
131.04935	0.4
133.02852	0.7
135.00777	100.0
136.01050	2.8
137.02347	4.0
138.03137	1.0
143.04411	0.4
148.01811	0.3
149.02359	1.5
151.03929	0.5
153.01839	84.8
154.02159	3.2
161.02429	0.9
162.03171	0.5
163.03784	0.7
167.01636	0.5
175.03951	3.0
177.01881	2.7
177.05482	0.5
193.04984	1.1
197.05984	1.2
208.76691	0.5
225.05464	0.9
243.06602	11.7
244.06960	1.0
251.30707	0.4
267.06458	0.7
297.06158	13.6
298.06506	1.1
315.08798	0.5
368.83038	0.4
405.11774	9.8
406.12158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
70.82690	1.4
71.01257	1.5
78.81764	0.4
79.95596	3.2
80.96397	1.7
83.01292	0.5
87.00738	1.0
93.03354	0.7
96.95892	22.5
101.02314	2.1
113.02330	1.3
119.04919	100.0
120.05235	4.4
138.96956	1.7
163.03922	79.6
164.04269	3.6
166.96465	1.0
206.32579	0.5
241.00208	79.9
242.00522	3.2
357.99368	0.5
391.91214	0.5
405.04996	12.1
406.05307	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64314	0.3
59.01252	0.8
67.55138	0.3
69.84698	1.6
71.01248	1.3
76.30597	0.3
79.95593	2.8
80.96372	2.0
85.02817	0.5
87.00758	1.0
92.25479	0.4
96.95883	25.7
98.33151	0.3
101.02294	2.0
113.02335	0.9
117.03307	0.3
119.04910	100.0
120.05249	4.8
122.97459	0.3
138.96973	2.0
150.96974	0.7
163.03909	86.8
164.04236	5.1
166.96448	1.4
187.21182	0.3
238.57581	0.3
241.00189	86.3
242.00525	3.6
276.00647	0.3
405.04950	11.2
406.05103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1609
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01753	1.0
57.03314	2.8
58.00473	0.9
59.01247	94.2
61.98709	1.1
71.01250	12.4
71.04903	1.4
71.08424	0.9
72.99174	1.0
73.02818	1.5
83.01262	2.2
83.04874	1.1
85.02823	3.5
87.00763	2.3
89.02319	8.3
94.04189	0.8
98.90459	0.7
99.04406	1.3
101.02300	3.3
109.29754	0.7
113.02332	4.4
119.03388	2.7
119.08550	2.2
126.66503	0.7
128.03415	1.2
131.03348	0.8
133.10115	1.8
135.08047	2.5
135.11670	0.8
137.09608	5.3
143.03503	0.8
143.04510	1.6
161.09651	5.6
163.07581	1.6
179.10693	4.4
181.08615	11.7
182.08920	0.8
196.12334	0.8
197.11752	60.6
198.12079	3.6
205.08533	1.1
223.09705	5.4
241.10767	100.0
242.11096	7.6
245.21016	0.7
283.11777	1.9
306.07526	1.5
403.15744	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	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	2.8
58.00456	3.2
59.00960	4.5
59.01247	73.7
61.01741	1.9
61.98700	2.2
67.05385	2.3
71.01247	48.0
71.49190	3.8
72.99175	5.9
85.02823	7.1
89.02309	47.5
99.04389	8.1
101.02319	23.1
104.97605	2.0
113.02342	16.8
113.11846	2.2
119.03394	25.1
124.05210	3.3
131.03345	3.4
131.77673	2.6
143.03447	2.4
161.09637	2.9
167.86427	2.4
179.05569	4.1
179.10678	47.0
180.11067	2.9
181.08620	3.2
197.11862	2.9
198.96249	2.1
223.09692	100.0
224.10025	8.1
240.38892	2.0
241.10783	4.1
278.86359	2.2
304.30029	2.3
403.15649	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	404.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	12.5
66.03364	1.4
70.02856	2.5
70.12340	1.1
71.28742	2.9
72.00771	2.3
74.02335	21.9
78.16757	1.2
81.04480	2.1
82.02865	2.4
84.04419	1.7
86.02338	8.2
86.98962	3.3
87.05498	8.1
90.00064	3.0
97.03960	2.5
99.05513	19.3
100.05820	1.1
101.07080	3.4
102.05479	2.5
109.03967	2.9
112.03937	2.8
123.05548	1.6
124.03946	1.2
125.03458	2.3
127.05027	3.9
128.03429	53.1
129.03755	1.9
131.04494	1.6
135.05536	5.9
137.07071	1.8
141.06618	6.0
143.04518	77.8
144.04857	1.8
145.06049	3.7
146.04506	5.7
153.06607	4.8
160.00641	23.7
166.09744	2.6
167.04539	4.9
167.08177	3.6
171.07652	1.2
177.03308	8.9
179.04507	13.6
185.05603	2.1
192.07759	1.6
197.05630	3.6
198.08844	1.4
210.08786	13.1
225.15341	1.4
242.07741	1.6
254.07791	23.5
255.08099	1.7
272.08865	41.3
272.11691	2.5
273.09131	2.8
288.06525	11.8
306.07632	100.0
307.08035	5.6
325.33765	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	403.1396
Annotation	Nitidanin
Peak:m/z	Relative Intensity
57.03321	4.8
59.01247	6.3
61.98693	3.3
69.03307	2.2
69.47066	1.5
69.47472	4.4
71.01245	2.3
81.03319	3.0
81.79321	0.8
83.01246	3.8
89.02319	1.7
90.55325	0.8
93.03309	1.6
95.01253	2.8
95.04900	2.3
97.02814	4.8
98.19839	0.9
99.03146	0.9
101.02312	1.3
109.02834	17.2
111.00854	0.9
111.04381	4.0
113.05964	1.0
114.95157	0.8
121.02821	2.8
123.00752	5.9
123.04360	1.1
124.01585	4.5
125.02333	79.0
125.53818	0.8
126.02666	2.5
128.03433	0.9
135.04433	2.4
135.08041	1.4
137.02333	26.7
138.03127	2.4
139.03899	22.4
140.04224	1.1
143.04486	0.8
149.02332	1.6
149.05965	1.4
151.03925	2.2
157.06425	0.8
159.04453	1.5
161.02345	3.6
161.05965	1.1
162.03061	1.3
163.03966	1.1
163.07578	0.9
164.01051	6.4
165.01846	21.6
166.02524	2.6
167.03403	22.4
168.03746	0.8
173.06024	1.3
175.03917	3.7
175.07413	1.1
177.01961	3.9
177.05489	5.0
178.02640	3.6
179.03427	18.9
179.07060	5.7
189.01735	0.8
191.03488	1.6
191.07097	6.0
193.04979	1.2
201.05455	1.9
203.03467	4.7
204.04207	3.3
205.12341	1.1
217.05069	1.0
218.05841	1.3
219.06555	21.2
221.04489	12.1
233.08151	2.5
237.07611	1.8
243.06470	1.4
247.02437	1.6
261.07675	5.0
263.05643	0.9
263.09146	0.9
277.10803	1.2
283.11075	0.9
287.05762	1.4
305.06662	100.0
306.07092	8.5
315.12393	1.3
343.11740	1.2
359.11331	16.7
359.15424	1.4
360.11710	2.0
373.13065	1.1
385.12857	2.0
385.18399	1.3
403.13971	42.9
404.14441	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	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52871	1.2
57.03301	1.5
59.01249	13.7
61.98681	3.5
71.01256	1.8
71.41627	1.8
83.60877	1.2
95.04874	1.7
104.04922	1.4
109.02818	2.9
115.00256	1.6
122.05943	4.9
125.02325	15.1
130.02840	1.7
132.04425	9.8
137.02304	4.6
139.03848	4.2
143.04410	2.0
146.02437	1.6
147.03078	1.8
148.03906	2.0
150.05484	1.9
154.92299	1.2
158.02400	6.2
160.03947	6.2
162.05481	2.9
165.01761	3.8
167.03355	3.0
174.05356	1.6
176.03430	7.9
176.06978	1.7
177.05334	1.5
179.03366	3.5
184.07527	1.7
187.09673	2.0
190.05013	18.1
199.74689	1.1
204.02965	1.5
211.12280	3.4
212.05737	1.6
213.06554	1.4
215.07533	1.1
215.11732	3.7
219.06456	2.0
220.02393	2.1
221.04347	2.9
223.04681	1.3
223.08681	2.1
224.07443	1.2
224.09462	6.3
225.07915	2.5
225.14983	1.3
226.07439	1.4
227.08112	2.8
227.12846	7.6
234.03973	3.1
238.08640	1.2
239.04443	1.7
239.08147	1.8
239.11830	18.0
240.10132	4.0
240.12309	1.4
241.09802	7.3
253.06152	15.0
253.08696	1.6
253.09703	1.1
254.06488	2.2
255.07584	4.3
255.11282	3.6
259.10568	1.4
265.09766	1.8
267.07657	3.2
268.08447	8.2
269.09317	2.4
269.13806	2.4
281.09186	4.6
283.10861	40.0
284.11072	4.3
287.14993	26.4
288.15311	2.5
305.06680	18.0
306.07291	3.3
309.08780	11.9
310.09055	2.4
327.09802	48.8
328.10025	5.2
341.11234	5.9
348.94934	1.3
353.07797	2.3
359.12314	8.6
371.08829	34.7
372.09137	3.6
385.10452	2.3
403.06393	5.4
403.11267	100.0
404.11411	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	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58158	2.2
59.01247	11.8
61.98686	6.2
71.01225	2.3
71.49072	3.6
73.02856	2.1
74.66185	2.1
80.04922	2.8
93.03321	4.8
96.95892	3.4
100.00243	3.9
116.04932	3.2
122.05962	4.6
125.02319	3.0
127.45536	2.2
130.02869	2.6
132.04443	18.6
137.02260	3.6
142.06528	2.3
144.11003	1.8
148.03838	3.3
150.05461	5.0
152.93149	2.0
158.02301	7.1
160.03915	10.9
162.05472	3.8
165.01704	2.0
176.03477	10.3
176.06961	4.8
183.09247	2.2
189.05466	2.2
190.05011	16.7
197.11884	2.6
209.07045	2.4
211.12244	4.7
212.05722	3.1
212.10687	5.0
215.11758	4.4
220.02306	2.6
223.08655	5.5
224.07436	2.0
224.09503	10.7
226.07294	6.3
227.08069	7.1
234.03931	2.7
239.08244	2.1
239.11839	22.5
240.08650	2.6
240.10336	3.8
241.05006	6.6
241.09947	9.4
252.05307	2.6
253.06158	22.6
254.06500	4.0
255.07822	2.2
255.11197	9.9
267.07715	6.3
268.08408	7.8
281.09207	10.1
283.10895	64.2
284.11133	7.1
309.08804	23.6
323.10373	3.3
327.09802	51.9
328.10135	5.8
341.11298	4.0
359.12155	5.0
371.08780	61.7
372.09045	6.1
401.92282	2.9
403.05981	9.5
403.11301	100.0
403.22974	4.1
404.11606	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	403.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36589	1.3
78.13414	0.8
78.20579	0.7
79.95625	3.2
93.03334	20.4
94.03675	0.8
96.95895	2.7
100.00291	0.9
116.04939	9.5
117.05337	0.8
118.02877	15.0
121.02824	1.9
136.03941	100.0
137.02348	1.8
137.04323	4.0
137.05168	0.6
142.06540	5.4
148.03966	0.7
150.05515	33.0
151.05801	1.7
157.07634	7.5
158.07979	0.9
159.09180	6.2
162.05504	2.9
176.03433	2.5
186.05539	1.1
186.31325	0.7
194.04512	11.1
196.00647	1.2
203.08224	9.7
222.02284	2.6
229.06137	1.2
237.03389	11.5
239.04980	1.0
279.11392	29.0
280.11749	2.5
283.03992	4.0
293.78415	0.7
323.10370	55.4
324.10718	5.7
403.06042	59.6
404.06412	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	403.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00263	1.2
59.01249	3.1
61.98692	4.0
69.86491	1.4
70.98027	2.4
71.26905	1.3
79.95609	10.3
80.96391	2.7
81.95045	1.2
92.04912	2.3
93.03327	2.9
94.10558	1.2
96.95901	2.7
116.04952	5.5
118.02827	1.6
120.04435	27.3
121.02847	8.7
125.02321	4.2
130.06519	1.6
131.03658	10.6
132.04448	31.3
134.03630	1.9
134.06007	22.6
136.03958	8.4
137.02344	1.8
144.04437	9.3
146.06029	10.6
150.05501	3.6
158.06032	27.5
160.03958	19.5
173.07127	4.4
178.02672	2.3
178.05022	49.4
179.05417	2.5
190.05051	2.2
193.04993	4.7
194.04472	2.4
201.06627	2.8
202.05011	3.0
237.03432	2.5
253.02898	8.2
261.10263	3.9
277.09851	1.9
279.11411	13.0
280.11746	1.4
305.06689	1.6
314.81091	1.3
323.10361	100.0
324.10730	12.0
359.11230	1.5
403.06049	83.2
403.23654	1.9
404.06195	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	401.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59846	1.5
59.01241	5.6
61.98696	4.5
63.40049	1.3
64.70361	1.5
70.91321	3.7
71.01232	8.0
72.21107	1.4
73.17979	1.4
76.64637	1.4
81.51375	1.5
85.02822	9.9
87.00755	3.6
89.02309	4.5
93.03345	2.3
98.20440	1.8
99.00745	1.8
101.02301	2.9
109.02786	3.9
111.53049	1.5
112.98635	1.6
113.02335	2.5
114.39949	1.5
125.02283	1.9
127.00327	1.4
127.03850	4.5
153.01778	2.1
156.23108	1.6
171.02861	5.0
173.26190	1.5
179.05582	1.9
189.03915	3.1
191.05531	100.0
192.05853	5.7
341.10880	4.7
357.06287	2.0
401.04959	3.4
402.06558	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	401.1451
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01749	7.5
57.03315	5.0
59.00963	2.7
59.01245	42.4
69.03316	2.0
70.87041	2.8
71.01250	100.0
71.36948	1.3
72.01572	2.8
72.99169	4.0
73.02814	45.7
74.11835	1.2
74.66125	1.4
75.00723	2.6
81.03313	2.3
83.01257	18.0
85.02819	53.5
87.00747	6.4
89.02313	22.3
95.01257	8.8
97.02816	4.9
99.00752	21.1
101.02316	79.5
102.02632	2.2
111.00755	1.6
113.02330	37.9
114.02652	1.7
115.03896	5.2
125.02321	11.4
129.01816	2.4
131.03377	4.4
137.02313	1.3
140.95842	1.2
143.03384	3.9
149.04456	1.4
150.17635	1.4
151.00331	2.5
153.01837	1.7
159.02872	9.3
161.04462	55.4
175.00276	1.5
177.21474	1.3
191.05466	1.8
193.01363	9.8
194.01741	1.8
195.01825	3.5
233.06659	6.7
269.10291	95.7
270.10669	5.7
293.08774	3.4
401.00259	8.6
401.14490	93.3
402.14859	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	401.0808
Annotation	Mollicellin J
Peak:m/z	Relative Intensity
71.30324	0.5
79.95605	18.5
80.96388	1.2
82.33377	0.3
102.03355	0.4
107.01202	0.4
116.04942	21.6
117.05285	0.9
121.02839	18.0
122.03155	0.5
132.04462	3.1
133.31296	0.3
151.00195	0.8
160.03941	100.0
161.04295	6.2
178.03320	0.5
178.99770	0.6
180.05766	0.3
181.06485	1.2
192.06583	32.3
193.06897	1.8
193.67583	0.3
196.00713	1.8
225.05576	0.9
241.00392	0.7
247.29895	0.3
309.35941	0.4
313.07169	5.5
314.07590	0.3
316.11200	0.3
321.12405	4.0
322.12735	0.6
357.06015	1.4
358.03940	1.2
401.08124	75.3
402.08447	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	401.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16506	0.4
59.01239	1.0
60.11225	0.3
61.98704	0.3
70.90816	0.3
71.01253	0.7
74.60897	0.3
79.95602	18.1
80.96396	0.8
97.23856	0.3
115.91960	0.4
116.04941	18.2
116.92737	1.2
117.05334	0.3
117.65584	0.3
120.24429	0.3
121.02841	19.4
122.03154	0.8
123.19950	0.3
132.04417	2.3
148.89653	0.3
160.03944	100.0
161.04283	5.4
181.06461	0.9
192.06587	31.3
193.06873	2.0
196.00615	2.0
209.01535	0.7
225.05539	1.4
241.00404	0.7
261.10370	0.6
313.07117	6.6
314.07666	0.7
321.12387	4.2
322.12738	0.6
327.21759	0.6
334.33994	0.4
357.06317	2.2
401.08124	81.5
402.08453	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	399.1234
Annotation	Lophirone J
Peak:m/z	Relative Intensity
68.99678	1.8
69.22689	9.1
71.30198	0.9
79.01759	3.3
82.07780	0.8
88.65065	0.8
98.20633	1.7
107.33520	0.9
127.05371	0.9
131.66278	0.8
143.27496	0.9
155.08653	0.9
161.52361	0.8
165.07022	2.4
171.04388	8.2
181.06541	2.2
183.08086	1.5
185.05916	2.0
196.05263	1.0
199.07582	2.4
205.95734	0.9
207.08104	2.5
209.06065	2.9
223.07645	1.1
224.04816	1.2
225.05518	1.7
227.07085	2.5
238.06320	1.1
251.07123	3.5
253.05020	13.7
266.05841	1.4
267.06622	3.8
280.03864	1.9
295.06171	9.4
315.10159	1.8
321.07578	1.7
329.11810	1.1
343.13174	1.0
355.13434	1.7
357.11304	17.2
358.11664	2.7
371.13043	5.1
372.13330	1.0
381.11334	1.5
384.09909	1.3
396.51273	0.9
399.12332	100.0
400.07959	1.4
400.12689	14.5
405.06497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65494	1.7
53.25185	1.8
59.01244	3.5
65.00197	1.6
75.60106	1.7
76.95711	1.8
83.01240	3.8
91.01822	2.4
93.74049	1.8
96.95865	2.1
113.88608	1.7
121.02805	1.8
122.03637	3.3
125.02259	2.0
126.56271	1.9
135.00777	31.7
144.96886	1.9
146.03569	2.3
148.01483	2.1
150.03201	2.1
157.06502	6.0
159.04352	8.7
159.08078	2.2
161.05965	2.8
166.02614	2.3
167.03404	17.9
171.04393	2.0
172.05235	2.2
173.05952	10.3
176.01013	3.2
185.05988	17.9
186.06828	4.4
187.03986	7.9
189.05496	6.9
194.02147	2.7
201.05479	15.1
202.06229	16.5
212.04726	2.6
215.03467	4.0
216.04274	1.8
217.04855	2.3
229.05013	15.1
230.05830	23.8
262.08432	12.5
283.17279	2.5
295.20563	2.4
323.20181	5.9
339.19543	8.6
367.19089	100.0
368.19373	11.5
399.21716	64.2
400.22122	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	399.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77660	0.8
56.75875	0.7
57.03320	5.6
63.02257	1.2
65.00190	2.5
66.78352	0.7
71.27224	1.7
71.27563	0.9
72.09492	0.7
79.95622	0.8
83.01250	4.3
95.40088	0.7
107.01246	4.9
109.02829	3.5
120.22559	0.7
121.02865	2.2
123.00739	2.2
124.01540	1.6
125.02328	46.4
126.02669	1.6
137.02347	7.9
139.03879	4.5
147.00798	4.2
151.00266	20.3
152.01003	2.7
153.00687	1.2
153.01834	15.6
159.04430	0.9
165.01817	11.3
167.03371	8.2
169.01344	1.6
173.06091	0.7
175.00267	24.5
176.00864	1.2
178.99777	18.3
181.01344	2.9
185.02298	0.9
187.03897	1.9
190.02617	1.2
191.03423	12.7
193.01346	100.0
194.01678	4.4
197.51430	0.8
205.04985	1.3
213.05473	1.7
215.03477	8.4
229.05000	0.9
233.04451	1.8
239.03731	0.9
246.99123	4.5
257.04489	7.7
301.03580	11.0
302.03885	1.1
308.58508	0.8
317.02872	2.0
319.04547	14.3
320.04816	1.0
399.00201	55.1
400.00583	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	398.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31555	0.4
57.03309	0.9
59.01252	16.2
60.29330	0.4
61.98703	7.0
63.60179	0.5
68.99654	1.3
71.48898	0.5
71.49258	0.4
79.70963	0.4
85.06451	0.8
95.01258	0.4
95.04899	0.5
97.06448	1.0
101.03827	0.7
111.00780	4.2
111.04330	0.9
113.05321	0.4
113.05979	5.2
117.03375	0.9
122.03577	0.7
122.24163	0.4
124.01553	1.0
131.04868	0.7
137.02313	1.4
137.05956	1.3
138.99281	0.6
139.00281	8.8
139.03909	5.3
141.05472	11.7
142.05774	0.7
145.06485	1.1
147.04413	0.8
151.00230	0.8
152.04675	0.4
154.82661	0.4
156.05673	1.1
157.06488	2.8
165.01904	0.4
165.05470	0.7
167.03432	0.9
171.03044	0.8
171.04427	10.2
172.04744	1.0
173.05992	13.8
174.06345	0.8
181.05020	0.9
183.06371	0.4
183.08038	0.6
196.28555	0.4
199.07637	1.0
199.11169	0.6
204.74673	0.4
211.07567	0.5
215.06935	0.7
226.03220	1.0
227.10748	1.1
229.08635	0.5
236.08244	0.6
239.10704	0.5
241.12372	0.5
243.06682	1.2
251.10716	1.7
253.08603	1.6
254.09453	1.9
267.10229	1.6
269.11880	4.0
270.08948	3.5
270.11694	0.7
271.09744	63.7
272.10107	6.2
279.62497	0.4
295.09723	1.0
313.10822	100.0
314.07654	0.9
314.11157	11.9
398.08530	6.5
399.00266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.8
57.03319	2.5
58.00470	5.3
59.01247	100.0
60.01577	1.7
68.99691	1.6
69.03323	6.6
71.01250	87.3
72.01578	1.3
72.99174	9.3
73.02818	19.2
75.00732	2.6
79.60432	1.1
81.03340	3.8
83.01262	9.5
85.02818	20.2
85.99960	1.5
87.00749	18.7
89.02314	68.2
91.03896	1.6
93.03320	1.6
94.49139	1.2
95.01250	5.9
97.02822	19.1
99.00745	7.4
101.02316	67.9
102.02660	1.8
103.03879	1.3
109.02803	1.6
111.00769	1.5
111.04395	4.8
113.02325	32.2
114.52253	1.0
115.03883	2.4
119.03379	25.6
121.02829	3.8
124.01556	1.8
125.02328	24.7
126.02682	1.1
131.03409	2.7
133.04973	4.1
137.06033	1.6
139.03891	2.5
141.01944	1.3
142.71957	1.3
143.03386	9.4
149.04523	2.5
149.06023	2.3
151.03943	1.6
155.03395	1.8
161.04465	14.2
169.04935	3.2
179.05553	6.9
193.05032	1.9
201.65709	1.3
203.05568	1.5
217.07178	3.9
221.06528	3.8
235.08188	22.3
245.06535	1.8
253.09268	2.6
263.07626	3.1
265.08676	1.8
277.09250	3.0
281.08130	8.1
283.09732	1.3
287.07608	2.6
293.08234	3.2
295.09763	1.7
297.11264	9.6
309.07715	6.9
321.07715	1.4
323.09488	2.2
324.09906	4.9
337.07352	3.1
339.12296	5.5
349.10718	1.3
351.08600	1.8
352.09464	5.9
367.11798	20.0
368.12488	2.5
382.14200	31.8
383.14523	3.6
397.13208	44.4
397.16827	39.4
398.13321	3.6
398.17065	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	397.1654
Annotation	Spiraformin C
Peak:m/z	Relative Intensity
50.18177	0.8
51.33142	0.8
55.01766	1.9
57.03321	2.6
58.00472	2.0
59.01249	36.5
69.03313	2.5
71.01256	36.2
71.04321	1.1
71.04646	1.3
72.99185	2.1
73.02817	7.5
75.00725	1.1
81.03349	1.4
83.01262	3.4
85.02825	8.2
87.00743	6.2
89.02317	26.1
91.59036	0.8
95.01258	2.0
96.24763	0.8
97.02825	8.3
99.00758	2.4
101.02324	25.5
109.02803	1.0
111.04375	2.3
113.02342	11.0
115.03899	1.1
119.02700	0.9
119.03400	9.0
121.02847	0.9
125.02315	8.9
131.03404	1.3
133.04979	1.5
134.03635	1.0
137.02304	0.8
139.03859	1.3
143.03383	3.4
147.04396	1.4
149.05975	2.6
150.03113	1.7
151.03889	1.7
161.04501	4.7
167.07040	1.8
171.04372	1.3
175.03865	0.9
179.05511	2.6
189.05513	1.1
193.05031	2.4
217.07074	1.6
221.06531	1.1
222.26134	1.0
231.06657	1.0
235.08212	9.6
236.08476	1.4
237.09152	1.2
253.08746	1.8
253.12325	2.4
263.07474	1.8
264.07849	1.1
265.08710	3.6
267.06583	1.7
267.10025	0.9
268.07202	1.0
277.09177	1.9
278.05881	0.9
279.09973	0.9
280.07248	1.2
281.04889	1.5
281.08209	13.9
282.08780	1.7
291.06671	1.1
292.07047	1.1
293.08282	5.8
295.06046	1.5
295.09717	3.3
295.13013	1.3
296.06931	1.2
296.10419	2.2
297.11307	20.5
298.11752	1.5
305.08261	1.1
307.09808	1.4
308.10379	1.7
309.07629	10.9
310.08054	1.6
311.09311	1.4
316.52295	0.9
321.07468	1.8
323.09213	2.7
324.06415	1.7
324.09784	5.8
330.45734	1.0
335.09149	1.8
336.10004	1.6
337.07187	6.0
337.10709	1.5
339.12296	8.1
351.12390	2.0
352.09439	10.5
367.11841	34.7
368.12222	4.0
379.12836	1.0
382.14224	43.0
383.14563	5.4
397.16956	100.0
398.17236	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81242	11.8
69.51104	100.0
72.42397	12.9
116.56685	15.7
184.82889	15.7
213.51979	13.2
228.93623	14.6
235.29712	13.6
242.32419	14.3
398.12759	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	394.9712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35497	0.3
61.50200	0.3
64.60164	0.3
69.26632	0.9
69.27042	2.3
70.27091	0.3
196.14818	0.3
200.01006	1.0
216.00560	1.3
242.99347	0.7
244.00108	1.3
260.07639	0.4
271.99576	0.7
298.98322	0.8
299.99097	94.4
300.99445	8.0
315.01453	100.0
316.01770	9.4
338.93671	0.4
384.74460	0.4
394.97144	1.7
395.11560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.9713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25801	0.3
51.69157	0.4
59.01231	0.9
63.55347	0.3
71.01243	0.6
85.40586	0.3
113.02284	0.6
122.70567	0.4
150.49995	0.3
153.12729	0.4
172.01556	2.8
174.31340	0.3
188.01021	0.6
200.01089	1.5
216.00587	2.4
228.00552	5.4
244.00073	4.9
271.99576	6.7
272.02338	0.6
278.18164	0.3
282.98779	3.3
283.99152	0.4
299.99088	100.0
300.99426	9.8
315.01440	85.5
316.01788	7.9
394.97028	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	395.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	19.5
63.61179	0.8
68.26110	0.8
68.99683	2.3
69.43101	6.0
74.60870	1.0
80.18740	0.8
97.06520	1.0
98.19846	1.7
109.02872	1.8
111.00774	5.0
113.05965	4.8
124.01540	1.2
137.02307	1.9
137.05978	1.6
139.00261	9.8
139.03902	5.7
141.05467	12.0
145.06554	1.5
151.00264	1.3
156.05681	0.9
157.06473	1.9
167.03418	1.0
171.04436	11.5
173.04619	1.4
173.05989	14.0
219.63014	0.9
227.10532	1.5
243.06615	1.7
251.10724	2.3
253.08673	1.8
254.09541	1.4
267.10361	1.6
269.11761	3.7
270.08984	3.5
271.09744	65.3
272.10077	7.4
290.81528	0.9
313.10812	100.0
314.11145	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	395.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51059	22.8
59.01244	100.0
71.49877	39.6
72.92311	24.8
91.34408	23.1
96.95897	44.3
140.53604	22.0
141.59346	22.6
158.58014	23.7
163.32330	21.3
217.79297	25.2
248.44897	31.7
299.99265	28.9
310.70648	27.2
315.01398	35.5
335.20688	37.0
395.06720	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	395.1921
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01756	4.8
57.03327	4.4
58.00462	2.4
59.01250	28.6
63.06107	0.6
68.99686	0.7
69.03315	2.0
70.36223	1.9
71.01250	53.9
72.99178	3.7
73.02816	33.7
74.03128	0.6
75.00749	1.8
75.64655	0.5
81.03318	1.3
83.01247	14.4
85.02821	30.8
85.99963	2.0
86.03142	0.6
87.00745	3.8
89.02314	10.3
95.01248	3.2
96.95868	0.9
97.02831	3.0
99.00746	12.2
99.07999	1.1
101.02322	61.1
102.02644	0.7
111.00759	2.2
113.02325	22.6
113.91476	0.7
114.02659	0.8
115.03907	1.6
119.03367	0.8
123.04404	0.9
125.02351	4.4
129.01817	2.1
131.03366	3.2
143.03441	3.0
144.11563	0.7
149.04436	2.2
158.91734	0.7
159.02859	3.3
161.04457	16.6
171.10144	0.8
178.99661	0.9
205.03429	0.9
233.06616	2.6
263.14969	100.0
264.15277	6.7
293.08731	1.1
299.99091	22.6
300.99463	1.9
307.14160	2.0
315.01440	18.2
316.01733	2.6
395.19193	80.2
396.19553	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	392.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30280	0.8
59.01233	3.3
61.98698	100.0
64.34299	0.9
71.21505	2.1
81.03308	1.3
81.77756	0.9
94.31969	0.9
123.04408	7.8
149.24670	1.0
167.03400	32.1
168.03772	1.6
181.04890	1.7
191.03430	10.3
209.04489	3.5
329.08783	15.6
334.79797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.7
63.02261	3.3
65.00194	9.8
71.01241	2.7
71.04873	0.9
71.05192	1.3
77.59575	0.7
83.01265	5.7
88.98651	0.7
89.02321	1.9
93.03362	4.2
93.78486	0.8
94.98183	0.9
101.02299	1.1
107.01268	14.2
119.04912	41.4
120.05265	2.2
120.99537	30.9
125.02332	3.8
131.16800	0.9
145.02820	2.2
151.00275	59.6
152.00606	1.9
161.05962	2.0
162.19254	0.8
165.01851	2.3
165.27417	0.8
169.01263	3.9
177.01849	4.4
185.05981	2.4
185.69524	0.8
187.03909	3.6
225.22711	0.8
227.07005	2.4
238.78212	1.1
271.06113	100.0
272.06409	9.1
327.96811	0.9
393.17584	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	393.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13638	0.2
52.06028	0.2
54.33163	0.2
59.01250	1.2
61.98700	0.3
71.04011	0.3
71.04343	0.5
79.95609	1.7
93.03356	0.2
96.95883	100.0
97.95807	0.4
106.04091	0.3
107.04942	0.2
123.04440	0.2
130.08638	2.2
134.03633	0.9
161.09496	0.2
188.07030	0.3
209.05865	0.2
213.05421	0.7
227.07114	0.3
240.07890	1.3
241.08585	1.1
249.09128	0.4
266.09454	0.3
267.10275	0.8
267.13849	1.8
272.06967	1.6
273.07416	0.3
294.12305	0.2
295.13364	63.0
296.13718	6.4
298.08347	0.5
313.14447	5.3
314.14795	0.6
393.10098	15.3
393.27338	1.1
394.10391	1.9
403.95328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	100.0
69.30992	9.1
69.31390	35.5
80.96401	5.5
98.19814	9.2
99.81071	4.4
104.17815	4.3
125.44597	4.6
144.76471	5.1
146.42296	4.5
197.11848	5.4
216.95151	4.7
219.67790	4.9
226.54427	5.2
329.55667	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60155	2.4
59.00959	5.4
59.01250	100.0
71.49194	3.7
91.64487	2.8
147.70677	2.7
168.87872	2.5
257.76025	2.9
275.32791	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	391.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44263	0.6
59.01245	14.1
63.27469	0.6
64.54262	0.6
71.01238	1.6
71.17085	0.7
71.17423	1.0
76.29012	0.6
89.02340	0.9
89.40797	0.7
93.03349	1.9
101.02332	0.8
103.97356	0.6
107.95303	0.6
108.02032	1.0
119.04935	1.3
121.02814	5.2
122.03622	11.4
123.04417	6.2
124.01598	1.0
133.02806	1.4
134.03636	1.4
135.04413	5.0
136.01524	1.0
136.05197	9.8
137.05978	1.2
149.02341	18.2
149.05998	1.3
150.03120	90.0
151.03920	22.1
151.07553	1.2
161.04599	0.7
162.75319	0.8
164.04704	3.9
165.05469	100.0
166.05804	4.3
180.04192	6.8
181.04974	14.5
194.05695	0.7
195.06541	83.1
196.06883	4.1
245.00830	0.9
269.30933	0.7
270.35455	0.7
283.09592	1.1
311.09247	4.5
343.07831	1.3
343.11832	22.9
343.15979	1.2
344.12073	2.5
391.13907	8.9
391.19067	1.4
391.26917	2.8
392.14212	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	391.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09431	0.9
54.96957	0.8
59.01246	13.8
69.87766	4.8
72.49999	1.1
83.73075	0.9
85.02798	1.1
87.03757	1.0
93.03323	2.0
108.02020	1.7
119.04911	1.5
121.02824	13.9
121.06474	1.9
122.03669	6.3
123.04402	7.7
132.02054	1.9
133.02805	5.7
134.03633	1.5
135.04422	5.3
136.05188	22.7
137.02345	1.2
137.05946	3.8
147.04375	1.2
149.02344	25.4
149.05983	2.8
150.03125	77.9
151.03943	18.2
151.07544	3.3
163.03879	1.4
164.04700	9.1
165.05478	47.2
166.05762	2.7
179.07111	1.3
180.04161	3.4
181.04903	6.5
195.06548	51.1
196.06857	2.2
229.08659	5.0
241.08501	1.3
269.08124	1.6
283.09631	6.5
284.10358	3.1
299.09348	1.3
311.09192	7.2
316.09549	1.1
343.11835	100.0
344.12149	11.4
391.14059	16.1
391.19159	1.7
391.26917	6.4
392.14178	2.2
404.81720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03326	0.8
58.00461	0.6
59.01249	7.2
71.01251	3.7
71.07144	1.0
73.02825	0.6
83.01266	0.5
83.04893	0.4
85.02805	1.9
87.04411	0.7
89.02322	2.9
95.01265	0.7
97.06491	0.5
101.02309	2.3
111.08058	1.8
113.02345	3.4
113.30055	0.3
115.43077	0.3
119.03398	0.7
119.04903	0.6
120.01090	0.3
149.35942	0.4
161.04460	0.9
165.12769	22.3
166.13080	1.5
179.05458	0.6
181.12199	0.5
183.13838	76.1
184.14168	4.4
185.11757	1.0
195.13852	0.5
197.15388	1.9
207.13843	1.7
209.11755	2.5
211.57877	0.4
225.14880	1.6
227.12846	100.0
228.13181	7.7
241.14645	0.4
243.16115	0.5
251.12862	3.5
252.13101	0.4
269.08148	0.8
269.13843	1.9
280.67450	0.4
293.14063	0.6
329.16019	0.6
371.24240	0.7
389.06604	0.4
389.18115	2.3
389.25494	7.5
390.25763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65028	0.3
57.03314	0.7
58.00477	0.4
59.01245	5.9
70.10523	0.3
71.01251	4.1
71.50533	0.3
73.02808	0.7
83.04941	0.3
85.02834	1.6
89.02316	2.8
95.01278	0.5
97.06466	0.3
101.02311	1.6
111.08030	1.9
113.02330	3.4
119.03387	0.8
119.04897	0.4
136.18538	0.3
161.04430	1.2
165.12753	23.8
166.13083	1.1
179.05470	0.4
183.13821	85.8
184.14163	5.9
185.11790	0.5
191.10570	0.4
195.13731	0.4
197.15422	2.2
198.99701	0.3
207.13849	1.6
209.11806	2.0
225.14862	1.3
227.12831	100.0
228.13170	7.4
241.14435	0.5
251.12869	3.4
254.20479	0.3
269.08344	1.6
269.13983	1.8
282.14307	0.3
293.13931	0.4
371.24377	0.4
389.18161	2.3
389.25418	3.5
390.25867	0.6
401.46500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2178
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01757	6.4
57.03324	6.2
58.00457	1.5
59.01250	38.7
61.46587	0.7
69.03294	0.9
71.01251	100.0
71.48927	1.5
72.01583	1.6
72.99166	3.0
73.02818	30.2
75.00738	2.6
81.03334	1.0
83.01252	14.5
85.02820	49.9
86.03139	1.0
87.00739	4.6
89.02305	12.3
95.01253	7.2
97.02805	2.4
99.00763	13.8
101.02322	70.4
102.02634	2.1
108.65287	0.8
111.00757	0.8
113.02331	41.3
114.02672	2.1
119.03361	2.9
125.02307	2.4
129.01822	2.2
139.00255	1.0
143.03383	4.8
147.11725	4.5
156.62471	0.8
159.02896	12.0
161.04465	52.0
162.04758	1.4
165.05507	1.0
193.04933	1.0
205.03479	2.7
227.16458	1.5
276.18564	0.8
383.81128	0.9
389.21768	63.0
390.22241	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	389.124
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
57.71375	0.2
59.01248	0.5
66.51540	0.2
66.71426	0.2
71.01245	0.3
71.08124	0.3
71.08459	0.3
79.22710	0.2
81.03296	0.2
101.02290	0.3
101.96929	0.2
102.05089	0.2
107.04924	0.2
113.38307	0.2
113.55939	0.2
117.03336	0.6
119.04877	0.5
127.47733	0.2
141.07004	0.9
143.04919	7.8
143.06053	0.4
144.05257	0.4
145.02852	0.4
157.06525	1.4
159.08035	2.5
164.01262	0.2
167.05037	0.2
181.06473	0.7
182.07300	1.2
183.08073	3.0
183.99001	0.2
184.08344	0.2
185.05994	11.5
186.06296	0.5
225.05441	0.4
226.06232	0.2
227.07074	100.0
228.07423	8.8
305.65234	0.2
347.90408	0.2
352.95038	0.2
364.04694	0.2
389.12360	0.5
389.25330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.145
Annotation	Reptoside
Peak:m/z	Relative Intensity
51.50989	9.5
58.22093	8.5
59.01240	35.2
69.49895	34.5
69.50320	30.3
70.05511	7.7
71.01254	42.0
73.02824	12.3
85.02843	32.1
89.02299	17.7
100.47831	9.3
101.02330	36.3
113.02347	14.5
137.02364	40.9
152.04672	22.0
159.55057	8.9
186.41743	9.7
212.06821	31.4
227.09232	100.0
228.09418	8.6
283.54550	9.2
389.14447	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	15.0
70.02849	2.6
71.01250	8.5
71.13226	2.5
72.00783	4.7
72.99202	2.2
73.02804	2.4
84.04422	4.0
84.91872	1.8
96.00787	100.0
97.01141	2.6
98.02354	20.7
101.02307	2.2
112.03943	11.7
114.01844	3.2
121.02851	2.4
128.03415	3.3
128.07065	7.7
130.08656	4.9
134.03606	6.0
137.02351	2.3
150.03119	9.1
150.05600	2.1
154.08617	5.0
154.57866	2.2
165.05470	7.8
172.96133	1.8
175.03940	2.9
178.02672	3.7
179.11856	5.8
180.04147	2.4
180.10268	3.0
181.13348	5.5
190.06392	2.7
191.07080	2.9
191.11755	4.2
193.04976	7.2
195.06581	2.9
195.11310	4.2
197.11327	2.1
197.12836	12.7
197.14395	1.9
223.10793	8.4
233.13000	3.1
241.11938	6.5
253.12053	2.5
273.14554	29.5
274.14780	3.0
275.07846	2.1
277.11868	8.2
287.15073	4.2
309.14578	6.3
353.13553	48.1
354.13861	4.2
359.15005	6.6
371.14548	22.6
389.25500	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	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77950	2.8
60.19930	3.1
61.98704	100.0
69.62774	4.5
69.63184	18.2
89.03049	3.3
96.30355	3.7
118.94200	3.2
161.51346	3.1
163.03748	3.5
163.37492	3.0
207.21977	3.3
387.80402	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	388.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00215	9.0
65.65501	6.4
65.99721	8.9
69.21793	64.6
83.01270	11.9
95.01242	10.2
99.00750	11.9
107.01283	15.9
109.99969	7.7
111.00759	20.3
111.70123	7.5
121.02775	8.2
123.00729	28.3
124.98746	10.2
125.02342	26.4
137.02359	12.8
139.00266	52.5
140.01070	8.5
141.01782	19.5
149.02333	9.5
151.00244	44.7
152.01016	8.7
153.01834	17.1
154.99768	15.9
163.00299	15.1
164.98134	7.1
165.01808	14.1
165.98888	11.4
166.99797	69.6
168.00523	10.4
169.01274	12.7
177.01776	12.6
178.01326	12.3
178.99724	57.6
180.00500	31.6
180.02917	9.0
181.01425	9.1
185.00876	7.1
190.01337	15.5
192.02892	15.0
193.01306	10.8
194.99280	100.0
195.99638	10.2
202.01392	17.6
203.03441	9.7
205.01283	16.6
206.99323	35.8
209.00858	33.9
218.00858	13.4
219.02980	10.0
222.98766	22.8
225.63788	6.6
227.06863	9.9
236.01872	11.3
246.00519	9.0
258.01599	7.4
259.02481	13.9
270.03781	8.4
275.02103	9.3
279.00540	7.5
287.02054	12.4
303.01404	12.5
304.02182	9.1
317.02979	10.4
321.02548	13.5
326.03137	14.4
342.02466	12.7
343.00952	26.1
348.01181	57.9
361.02133	8.2
370.01968	27.0
388.02563	38.1
389.04193	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	388.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85117	10.4
59.01248	27.2
64.40964	10.2
65.00174	14.7
65.99721	22.5
70.99160	18.6
70.99497	15.8
71.01247	22.8
78.03391	10.2
79.01722	12.2
81.03351	12.2
81.42999	10.7
82.78130	10.5
83.01263	15.4
87.05446	10.9
89.02302	11.9
94.46921	10.4
95.01266	22.6
99.00745	24.5
101.02345	13.6
107.01252	11.1
109.02854	11.7
109.99960	10.3
111.00725	34.7
123.00758	43.2
125.02308	40.9
136.88574	12.2
137.02284	39.0
139.00221	80.3
140.01019	18.2
141.01839	19.1
149.02271	18.1
151.00253	73.5
153.01816	27.9
154.99759	33.3
163.00255	25.3
164.03484	11.0
165.01782	25.8
165.98984	17.8
166.99763	83.1
168.00485	33.6
169.01013	18.9
175.00189	14.8
177.01753	17.6
178.99788	100.0
180.00478	31.2
180.02943	14.9
182.99197	10.9
190.01308	15.3
193.01360	16.9
194.99242	95.9
202.01407	28.8
205.01483	15.6
206.99219	45.8
208.00108	16.3
209.00803	32.3
218.00700	13.4
222.98778	17.6
223.99397	16.4
230.00784	15.0
231.02927	16.1
232.02779	11.5
236.01831	17.3
243.02904	20.5
246.00429	26.0
249.00125	13.2
261.00598	13.2
271.02386	14.8
275.01727	16.3
287.02020	12.4
303.01346	16.9
321.02560	21.1
326.03107	25.2
342.02542	13.3
343.00912	39.1
348.01202	82.3
360.03799	12.4
366.12976	12.7
370.01959	43.6
385.02756	11.8
388.02829	46.3
388.06482	33.4
389.03745	12.8
403.50159	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	387.2173
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
51.44812	0.5
57.19744	0.5
57.38463	0.5
59.01248	2.3
59.13645	0.4
60.84325	0.5
69.36533	4.6
71.01273	0.5
100.37596	0.5
103.36182	0.5
117.03354	15.8
118.03668	0.8
119.04914	23.1
120.05279	0.7
121.02843	2.4
123.04382	0.8
133.02826	0.5
134.31519	0.6
145.02853	100.0
146.03195	5.1
163.03925	14.3
163.05226	1.0
164.04169	0.8
185.11731	1.1
188.26025	0.5
223.17062	1.1
241.18053	7.1
387.21744	28.4
388.22113	4.1
394.26193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2176
Annotation	Juniferin
Peak:m/z	Relative Intensity
51.09088	0.3
53.18390	0.3
53.99303	0.3
59.01256	0.8
67.51709	0.3
71.01244	0.5
71.49430	0.4
92.03309	0.3
99.73643	0.3
109.57975	0.3
116.85397	0.3
117.03345	18.3
118.03634	0.6
119.04913	24.3
120.05213	0.7
121.02860	1.9
123.04376	0.4
133.02905	0.5
145.02853	100.0
146.03181	4.2
152.81499	0.3
153.09077	0.3
163.03917	13.8
164.04253	0.6
166.78384	0.3
183.76056	0.3
185.11787	0.7
223.17064	0.8
241.18086	6.6
242.18333	0.6
320.95322	0.4
369.20703	0.8
387.21762	24.5
388.22150	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	387.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17815	0.8
69.18219	4.8
79.95606	9.5
80.96391	1.8
98.20561	1.3
100.89118	0.5
116.04942	12.9
117.05322	0.6
120.04436	45.7
121.02826	1.9
121.04754	1.7
130.06506	1.6
132.04517	0.6
134.06010	22.6
135.06361	0.7
142.06488	2.8
146.06046	0.8
148.03882	0.6
150.68015	0.5
157.07623	9.2
160.03938	5.9
178.05011	34.4
179.05354	1.8
196.00670	3.2
217.80164	0.5
220.07643	0.7
222.02182	0.7
237.03343	17.8
238.03590	0.7
241.00414	0.6
245.10744	0.8
263.11865	21.5
264.12274	2.0
265.47339	0.5
307.10867	35.4
308.11166	4.2
343.07675	3.6
387.06543	100.0
388.06845	11.1
407.39609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
51.32520	0.8
55.01741	3.5
55.73937	0.8
57.03313	3.6
58.00468	5.4
59.01248	100.0
60.01593	1.7
70.25800	2.1
70.26195	1.7
71.01250	94.3
72.01589	1.5
72.99179	6.3
73.02818	12.7
83.01258	8.1
85.02819	26.1
87.00754	5.1
89.02312	78.2
90.02639	1.6
91.29742	1.0
95.01260	6.8
99.00774	5.1
100.32078	0.9
101.02319	61.5
102.02620	1.5
111.00750	1.5
113.01526	1.8
113.02321	36.3
114.65752	0.9
119.03383	35.7
120.03721	1.2
125.02349	3.5
129.01807	1.2
131.03384	4.1
133.01315	1.1
133.20763	1.0
136.05174	1.8
137.05983	1.0
138.06737	1.2
143.03378	6.0
149.04454	1.8
151.07564	1.4
152.08318	11.9
153.09058	3.1
159.02907	4.2
161.04446	16.4
179.05560	7.5
207.13855	1.4
225.14909	7.9
226.15236	1.1
351.05374	0.9
372.17758	1.6
387.20218	78.0
388.20566	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	385.1869
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.01750	2.3
57.03315	4.1
58.00464	3.4
59.01248	55.7
68.50173	0.7
71.01250	82.6
71.49187	1.3
72.01588	1.9
72.99194	2.8
73.02815	11.9
83.01253	7.0
83.04920	1.5
85.02821	25.4
87.00751	2.5
89.02315	33.5
94.39321	0.7
95.01260	5.0
95.04913	2.9
97.02824	7.3
99.00744	5.4
101.02322	37.3
105.06972	1.2
107.04887	1.2
108.05710	2.8
109.02885	1.0
109.06514	1.8
111.04344	1.1
111.08066	1.2
113.02328	27.4
113.05950	4.5
114.02692	0.9
119.03392	11.2
121.40768	0.7
122.03643	2.4
122.13952	0.7
123.08039	6.4
124.01588	0.9
125.02357	2.8
125.06004	2.8
131.03445	0.7
135.08003	0.9
136.05209	4.8
137.05994	2.1
138.06760	27.1
139.07585	10.9
143.03410	3.2
147.08063	1.1
149.05983	1.6
151.07545	25.0
152.04695	2.3
152.08331	45.7
153.09116	100.0
154.09465	4.6
156.75517	0.7
159.02888	4.9
161.04456	16.2
161.05688	1.3
162.04836	0.8
163.07127	0.8
163.11238	3.7
165.09160	2.3
167.07027	3.7
169.01334	1.5
179.05504	2.1
187.11264	1.1
189.09111	1.6
190.09924	2.8
199.08022	0.7
205.03436	1.3
205.12270	34.1
206.12552	3.5
223.13333	17.8
224.13673	1.6
263.65317	0.7
385.18637	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.3
59.00961	2.1
59.01250	38.8
63.79545	1.2
71.01252	29.7
71.49516	1.8
72.99191	3.1
73.02802	3.7
75.00729	2.6
83.01270	1.7
83.04871	1.6
85.02819	6.1
87.00774	1.3
87.62961	1.2
89.02322	25.8
89.28633	1.4
95.01256	2.4
101.02320	13.8
113.02321	15.6
119.03407	9.5
119.04900	13.8
120.05688	3.1
125.02324	4.1
126.82845	1.2
133.10141	4.5
135.11702	17.5
143.03374	1.7
146.07243	4.8
149.09599	2.7
152.04692	1.7
159.08066	2.5
159.11638	3.6
161.04463	1.7
161.09625	35.2
162.09981	1.8
166.02652	4.6
177.12767	2.3
179.05539	4.0
179.10701	100.0
180.11043	5.2
181.04987	15.4
193.12282	2.2
203.10727	14.3
205.08620	2.1
205.12283	1.4
221.11917	6.3
223.09706	56.6
224.10088	4.3
238.05313	1.7
265.10788	3.3
309.08527	1.4
358.29965	1.2
382.89948	1.5
385.13870	2.2
385.18649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Axitinib
Peak:m/z	Relative Intensity
59.01239	10.7
71.01252	4.3
71.48822	6.9
73.02815	4.8
87.00735	5.8
109.78613	4.6
115.00249	14.6
169.07156	4.3
174.01617	81.8
175.02290	10.7
209.08104	4.3
295.08307	13.1
315.60321	3.9
325.09238	14.6
325.24844	4.0
385.06680	6.5
385.11441	100.0
386.11545	12.7
400.22983	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	385.1294
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
59.01246	3.3
71.01226	1.4
71.49533	1.4
95.01263	1.1
97.02818	1.8
108.02033	2.2
109.02837	5.6
119.04897	2.6
121.02867	2.2
123.00774	1.6
125.02345	14.0
129.94376	1.1
137.02339	1.3
138.03067	1.1
139.03908	5.4
145.02826	6.8
147.04420	27.9
148.04785	1.6
149.02362	2.5
150.03101	3.2
159.04401	1.7
160.05190	1.7
161.02370	1.4
164.04662	2.8
165.01807	1.6
165.05441	3.3
167.03386	4.8
173.02359	14.8
174.03197	2.5
175.03839	1.3
176.01085	1.9
177.01802	2.3
177.05508	6.2
183.06570	1.7
187.03970	1.9
191.03401	7.9
203.03537	1.5
205.05000	92.9
205.08549	3.4
206.05751	47.0
207.06145	3.1
217.05086	1.5
217.08568	2.3
219.06523	3.9
220.07326	17.2
221.07808	1.5
223.09686	1.2
229.08629	1.2
233.04460	1.3
234.05286	18.2
235.05586	1.6
238.04771	20.4
245.08234	3.6
247.06009	9.8
248.06841	10.5
249.07671	58.1
250.07977	4.1
252.06355	28.0
253.06732	2.4
259.09833	2.0
261.07693	2.8
266.98969	1.1
277.04858	1.6
281.08203	1.8
292.07413	1.2
297.07593	2.1
309.07602	3.5
310.07928	1.5
311.22318	2.4
325.07196	7.4
325.10660	2.1
326.07959	10.6
335.98959	1.3
337.07205	6.3
338.07330	1.4
340.09521	1.3
341.10257	11.5
341.13971	2.1
342.10669	1.9
352.09589	4.8
353.10385	5.0
355.11664	1.8
357.13388	3.6
367.11740	2.6
367.62430	1.4
370.10388	1.5
385.12915	100.0
386.13269	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	383.1497
Annotation	Schizandrin C
Peak:m/z	Relative Intensity
59.01249	4.1
71.01260	1.7
71.41467	1.0
79.01768	0.6
81.23399	0.4
83.01261	0.4
85.02834	0.6
86.44757	0.4
87.00769	0.7
89.02324	1.4
96.60332	0.4
101.02328	1.2
104.96173	0.4
109.02866	0.5
113.02337	1.9
119.03343	0.6
135.04408	1.4
137.02332	0.9
144.95836	0.4
145.02826	0.4
147.04448	1.2
149.02347	0.6
151.03938	0.6
161.02324	0.7
161.04466	0.6
161.05934	0.5
163.03993	0.8
173.02367	0.9
174.03181	1.0
175.03868	0.5
175.07518	0.7
187.03917	1.0
187.07651	0.5
187.79158	0.4
189.05443	0.8
189.24690	0.4
190.02217	0.4
198.06949	0.5
213.05438	0.8
223.07822	0.6
225.05528	0.8
226.06375	0.9
226.09879	0.8
227.03365	0.5
237.05453	0.6
237.09251	0.8
239.03400	0.5
239.07018	0.5
241.05159	0.5
251.07126	0.7
253.05075	2.4
253.08725	3.7
254.05698	1.0
254.09441	3.9
263.07101	0.8
264.07806	0.7
265.04984	0.8
265.08649	1.3
266.09390	1.0
267.06570	1.1
268.07266	0.7
269.08347	0.8
277.08722	0.6
279.06866	0.8
279.10089	0.8
281.04697	1.4
281.08170	19.3
282.05243	1.3
282.08789	4.1
283.09497	0.7
293.08252	1.6
294.08990	1.4
295.06235	0.6
295.09567	0.9
297.11160	0.6
307.09775	1.3
309.07776	1.1
309.11243	0.6
310.08395	1.5
311.09387	0.5
312.09973	1.0
321.07877	1.0
321.11252	0.7
322.08304	0.9
323.09409	2.7
325.10770	3.8
326.11337	0.5
335.09210	1.3
337.10840	0.8
338.07986	3.0
339.03174	1.9
339.12311	1.1
341.10675	0.9
353.10287	59.1
354.06741	0.8
354.10611	7.1
367.11755	1.6
368.12567	13.0
369.12881	1.3
383.02264	3.8
383.14975	100.0
384.10226	0.6
384.15295	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	383.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72194	0.6
59.01242	1.4
68.73984	0.6
69.37803	0.6
71.01250	0.7
71.11996	1.1
71.12351	0.8
83.62846	0.6
85.02817	8.0
87.00760	1.2
89.97925	0.6
93.03331	2.7
109.02826	0.7
111.04418	0.7
113.06997	0.6
113.99451	0.6
127.03882	1.6
173.04445	0.8
191.05527	100.0
192.05875	4.8
244.54088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
63.23826	1.2
70.55907	2.0
70.56239	2.4
85.02826	5.6
87.00745	2.4
89.29356	1.1
93.03339	3.1
104.97204	1.3
126.03564	1.3
127.03939	2.6
153.45105	1.3
173.04419	1.3
191.05534	100.0
192.05861	3.6
201.28804	1.2
337.11603	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	382.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33293	2.2
59.01252	5.6
63.88649	2.5
71.01240	9.9
71.12940	5.3
71.13290	2.7
72.99181	50.7
75.00726	7.7
76.19347	2.3
77.53180	2.7
87.00747	3.6
93.03322	3.2
98.02357	63.0
101.02293	3.4
107.04910	5.4
117.03353	3.1
119.04911	6.9
121.02840	8.5
125.02318	2.7
132.04428	7.6
133.06444	3.2
134.03621	3.4
134.05969	11.5
135.04401	10.5
137.02290	2.2
138.93944	2.2
144.04414	4.4
147.04437	13.6
149.05896	3.5
158.06021	55.5
159.06364	2.4
161.02341	4.9
163.03882	5.0
174.05569	3.3
175.03912	3.6
176.07118	23.6
202.05058	36.3
203.05345	2.8
220.06096	38.3
221.06480	3.3
269.35840	2.2
333.92953	2.2
382.11398	100.0
383.11682	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	382.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
59.54124	1.2
59.89148	1.1
62.55228	1.1
67.26391	1.1
67.95300	1.0
71.01249	2.3
71.49501	1.4
72.89821	1.4
78.04356	1.1
86.75999	1.3
89.02318	2.1
89.87850	1.2
111.21326	1.2
113.02348	2.2
116.18019	1.2
143.66647	1.3
171.04436	2.5
172.04764	1.6
192.56885	1.3
230.47610	1.4
284.10028	3.5
293.00104	1.5
294.15625	1.8
323.09659	2.0
338.14670	9.8
382.17401	29.7
383.17331	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	383.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57590	1.1
57.03321	8.3
59.01255	5.2
65.00188	3.0
69.20434	1.7
69.20828	10.9
71.01257	1.8
79.95602	1.5
80.49906	1.1
83.01244	4.6
95.01197	1.4
97.35305	1.1
101.02323	1.4
105.03406	1.3
107.01266	3.0
108.02054	1.5
109.02847	4.1
121.02789	1.7
123.04394	4.7
124.01534	1.7
125.02333	100.0
126.02633	3.3
137.02359	3.1
149.02315	5.4
150.03091	3.1
151.00276	11.5
151.03905	11.8
152.01082	6.0
152.04141	1.2
153.01846	13.5
165.94914	1.0
171.04366	1.7
173.05980	1.7
174.03110	2.5
175.03943	15.8
176.08299	1.8
177.01839	19.6
178.99754	11.9
180.00078	1.2
181.01280	2.8
188.04622	1.9
189.05464	3.1
193.04961	2.3
199.03938	7.5
201.01849	2.6
213.05540	2.0
216.04225	1.6
217.04991	9.9
227.31593	1.1
230.99603	15.1
231.06728	2.0
241.04996	7.7
243.03041	1.2
257.04410	1.4
259.06052	4.2
275.05637	5.8
276.05957	1.2
285.04028	60.6
286.04355	4.6
301.03516	1.7
303.05096	50.3
304.05304	5.9
376.16629	1.1
383.00760	86.1
384.01123	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	382.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
59.01244	1.4
61.98702	66.3
72.29043	0.5
79.01759	23.9
84.16437	0.6
89.02319	0.7
109.02799	1.6
121.06499	0.7
125.05936	0.9
149.05983	30.9
150.06274	1.2
151.70847	0.5
167.06978	0.9
193.04988	42.3
194.05272	2.8
211.11194	8.3
212.11458	0.7
253.12279	1.0
255.10226	23.5
256.10504	1.7
297.11307	100.0
298.11639	11.7
360.03500	0.5
360.08090	0.5
382.09076	21.8
383.09378	1.5
395.99246	0.6
406.71219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	5.1
57.03321	4.1
58.00450	1.5
58.76982	0.6
59.01247	30.4
60.81679	0.6
65.98154	0.6
69.03319	2.0
69.55923	2.1
69.56353	2.3
71.01252	52.0
71.53415	0.7
72.01586	0.8
72.99169	3.1
73.02815	31.5
74.03117	0.6
75.00755	1.9
83.01254	13.3
85.02818	29.9
85.06430	0.7
85.99969	2.3
86.03170	0.9
87.00748	3.0
89.02321	10.8
95.01234	3.0
97.02823	2.7
99.00760	12.0
101.02319	65.2
102.02643	1.3
111.00746	2.0
113.02330	21.9
114.02673	0.7
115.03872	2.3
119.03347	0.7
125.02338	4.4
129.01797	2.1
131.03351	2.7
143.03377	2.1
149.04448	1.1
159.02931	3.2
161.04457	16.9
161.05814	0.8
191.05444	0.8
205.03493	0.8
233.06619	2.4
249.13405	100.0
250.13718	7.0
263.49496	0.6
264.66736	0.7
381.17639	82.6
382.17944	8.3
398.38535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.992
Annotation	Quercetin 7-O-sulfate
Peak:m/z	Relative Intensity
59.01249	6.1
63.02258	3.2
65.00184	5.9
68.38086	0.7
71.01257	0.7
71.49672	1.2
83.01252	3.8
93.03308	1.3
107.01271	14.2
109.02814	0.8
121.02847	10.6
125.02367	0.8
147.00536	0.8
149.02371	1.4
151.00272	46.5
152.00606	2.6
163.00188	0.8
164.01132	0.8
169.01338	2.6
178.99782	19.6
183.04614	0.7
193.01366	1.3
211.03893	0.9
229.05038	1.3
245.04565	0.8
273.04037	2.5
283.06265	1.0
290.77011	0.8
301.03534	100.0
302.03833	8.5
380.99164	16.0
381.03806	1.0
381.99600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1705
Annotation	Penicitrinol A
Peak:m/z	Relative Intensity
52.61655	0.8
53.05953	0.9
57.81998	0.8
59.01247	10.3
64.05093	0.8
64.49741	0.7
68.99689	2.1
69.79596	0.8
87.04400	1.3
95.04891	3.0
97.06462	2.2
98.19797	2.3
112.24336	0.7
119.04906	5.9
135.04387	1.0
145.06517	1.5
148.08328	0.7
153.05507	0.8
171.04433	20.3
172.04897	1.6
177.05464	2.0
179.03416	2.0
189.09082	1.6
204.93288	0.8
207.10338	1.2
214.17776	0.8
215.10724	2.2
219.06628	1.0
223.11252	1.0
226.46547	0.8
233.08127	4.0
234.08830	0.9
239.10805	4.7
250.03940	0.7
283.09717	15.5
293.15524	10.1
294.15625	1.3
324.23346	0.9
337.14441	41.2
337.17426	1.7
338.14801	4.7
381.17068	100.0
382.17389	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	380.9558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.2
58.56025	0.4
59.01235	1.3
60.94320	0.5
69.51493	2.0
69.51902	1.0
107.01271	0.7
115.52610	0.5
123.00707	0.5
125.01464	1.0
125.02335	12.3
126.02660	2.6
137.02307	1.1
139.03969	0.8
143.76694	0.5
145.02844	0.5
161.02327	1.0
169.01326	3.7
170.01631	0.7
172.03751	0.4
173.02328	1.4
177.01869	2.5
178.02188	0.8
178.99779	0.4
185.02344	2.6
201.01842	1.9
229.01347	3.0
245.00883	1.6
257.00925	1.8
283.99570	2.7
299.99118	1.9
300.99878	100.0
302.00275	7.4
305.06696	1.1
306.06973	0.8
380.95682	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	379.122
Annotation	2-Methoxyestrone 3-sulfate
Peak:m/z	Relative Intensity
52.89756	0.3
59.01241	0.8
69.34899	0.6
69.35321	1.3
78.45904	0.2
79.95607	2.7
90.97583	0.2
96.95885	100.0
97.95835	0.3
191.79037	0.2
201.27435	0.2
289.21265	0.2
299.16595	0.9
379.12180	43.1
380.12460	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	379.1609
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03318	1.4
58.00470	2.3
59.01250	53.0
61.97176	0.8
69.28049	7.2
71.01253	28.9
72.99180	2.0
73.02827	1.2
81.03307	0.9
83.01239	2.1
83.04879	4.2
85.02815	6.5
87.00733	1.4
89.02316	24.4
90.02676	1.1
95.01281	2.0
95.02208	0.8
98.19717	1.3
101.01713	1.4
101.02322	15.0
106.69300	1.0
113.02328	10.1
119.03371	10.5
125.02298	1.1
131.03334	1.0
137.09621	8.3
143.03383	1.1
155.10681	34.2
156.11052	1.6
161.04430	1.2
169.20819	0.9
179.05466	2.0
181.08577	4.5
199.09685	55.4
200.10048	3.3
217.10745	5.7
247.11740	1.2
379.16052	100.0
380.16495	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	379.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.9
61.93148	1.5
62.91405	1.5
63.80578	1.9
68.99677	2.0
70.12040	1.8
70.62113	5.1
73.53178	1.5
79.01748	2.4
95.80692	1.6
114.48517	1.8
132.41107	1.8
137.02335	2.4
149.02339	3.3
150.03117	44.1
159.66893	1.6
163.03964	2.1
178.01221	2.4
178.02649	37.5
178.06149	1.7
191.03519	1.9
193.05153	2.7
195.02452	1.6
210.01601	7.3
235.60544	1.8
240.80280	1.6
248.06523	1.7
254.09439	5.9
281.08032	2.6
282.08972	14.5
297.11310	100.0
297.61240	2.1
298.11594	9.0
379.10181	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	379.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
59.01248	1.3
70.01395	1.3
70.01809	0.6
77.23288	0.4
79.01761	20.7
80.02104	0.5
95.97826	0.5
99.00798	0.5
104.53417	0.5
109.02837	1.4
113.15315	0.4
115.76833	0.4
117.88058	0.5
121.06596	0.5
125.05923	1.1
149.05981	24.8
150.06311	1.3
151.09189	0.4
167.07082	0.6
174.48425	0.4
193.04997	38.8
194.05338	2.3
196.08727	0.9
211.11220	5.3
218.60933	0.5
253.12277	1.3
255.10240	20.1
256.10556	1.6
297.11310	100.0
298.11618	10.9
379.11526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47741	0.9
56.42828	0.8
59.01237	1.8
69.01646	0.8
70.24308	3.3
71.01223	1.1
93.03329	2.3
98.19894	1.0
100.41493	0.9
105.19048	0.9
107.57838	0.9
121.02845	8.7
122.03651	4.9
130.46507	0.9
137.02336	1.1
149.02347	94.4
150.03154	24.1
164.04707	15.2
165.01871	1.2
165.05476	25.4
166.06200	2.3
167.07018	5.2
180.04185	3.2
195.06546	14.3
228.33937	0.9
283.09778	2.7
285.11310	1.7
314.11588	32.3
315.11935	3.0
329.13925	100.0
330.14243	8.4
377.15869	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	377.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80093	0.9
56.98890	1.0
59.01244	2.3
60.98254	1.1
62.73246	1.0
70.62823	1.8
70.63170	1.9
87.61282	1.3
93.03349	1.6
97.97534	0.9
121.02824	6.4
122.03613	7.6
125.02358	2.9
136.01585	1.2
137.02296	1.9
145.02847	1.0
149.02339	35.9
150.03122	82.0
151.03532	3.1
159.82462	1.1
164.04695	6.1
165.05476	100.0
166.05946	4.8
167.07028	1.6
180.04198	6.4
195.06551	57.0
196.06905	2.9
231.15215	0.9
314.11539	8.3
329.13943	22.2
330.14304	2.5
377.04330	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	377.0449
Annotation	Chlorflavonin
Peak:m/z	Relative Intensity
50.38259	1.9
59.01237	3.6
67.01746	9.3
68.31350	1.6
69.03332	2.6
71.01246	1.9
71.49705	2.4
79.01744	1.9
79.95589	9.9
80.96400	1.8
110.02370	18.1
116.04950	13.3
124.03970	10.3
125.02387	2.1
128.67018	1.7
142.06558	4.1
147.08208	1.9
150.01878	3.4
152.07040	1.6
157.07614	8.9
168.02921	32.7
169.03331	2.2
185.07120	2.5
187.13196	1.6
196.00623	3.3
200.02237	1.9
228.96463	1.9
237.03369	13.3
253.09789	6.4
265.22830	1.8
297.08792	38.3
298.09030	3.3
333.05594	2.7
377.04492	100.0
377.29135	4.6
378.04810	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90774	0.8
58.02934	0.7
65.28915	0.6
70.08036	3.2
74.98935	1.4
81.08137	0.7
93.00014	1.5
94.16710	0.7
114.93519	0.8
130.35724	0.8
144.10231	0.8
149.00827	1.0
159.08376	9.5
161.06262	3.0
192.97993	1.3
209.01219	2.6
217.07092	2.3
224.55435	0.8
231.14713	0.9
261.04221	0.8
277.07550	4.0
289.07779	0.9
291.09082	94.8
292.09186	14.0
309.10129	2.4
357.13718	3.0
359.15320	100.0
360.10944	1.1
360.15472	17.5
375.18472	7.0
376.18787	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.03309	1.1
58.00463	2.1
59.01248	41.6
60.01579	0.6
69.88073	0.4
70.79074	0.8
70.79408	0.7
71.01250	25.9
72.01552	0.5
72.99171	3.0
73.02807	1.8
79.18906	0.4
83.01257	1.7
85.02819	6.8
87.00742	1.3
89.02316	20.4
95.01246	2.7
97.02813	0.4
99.00784	0.6
101.02316	15.1
113.02322	10.2
119.03383	7.4
125.02309	0.8
131.03362	0.4
155.03253	0.4
169.12192	0.5
179.05589	0.5
183.13797	1.2
195.13838	11.3
196.14194	1.3
213.14890	4.9
214.15147	0.8
357.19177	0.5
357.26349	0.8
375.20212	100.0
375.27118	10.8
376.20593	12.1
376.27957	1.2
394.68570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.8
57.03310	2.3
59.01248	32.3
61.68423	1.2
61.98690	1.8
69.03304	2.0
71.01250	29.5
71.49220	1.8
71.49633	1.8
72.99179	2.2
73.02806	3.9
74.60277	1.2
77.12415	1.2
79.52242	1.1
83.01235	2.1
85.02823	7.9
89.02316	20.4
94.04132	1.4
95.01274	1.5
95.04881	5.3
97.06465	2.2
98.03614	6.3
99.00745	1.7
100.38732	1.1
101.02324	13.8
103.52771	1.2
107.04890	7.8
108.83366	1.4
113.02329	10.6
119.03375	4.9
119.98101	1.2
123.08051	1.4
124.64902	1.1
136.08804	1.2
149.09595	3.3
151.11183	79.4
152.11481	4.5
154.09897	1.6
159.02913	1.6
161.04459	1.8
167.10866	1.4
167.98642	1.4
169.12247	14.9
178.09335	1.2
179.05287	1.1
187.13365	1.3
195.10182	100.0
196.10585	5.1
213.11206	1.9
235.65254	1.2
340.61856	1.3
375.27460	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33546	1.6
55.18816	1.4
74.98945	2.2
81.29100	1.4
91.58224	1.5
93.00029	2.1
98.20605	2.5
135.00290	1.4
136.49506	1.4
137.21344	1.3
159.08386	11.3
161.06242	3.6
164.75053	1.6
169.01387	1.4
192.98039	1.5
209.01289	2.6
277.07547	2.5
291.09085	94.5
292.09338	12.2
309.10165	2.8
359.15341	100.0
360.15500	19.7
375.18564	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	375.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.8
70.59947	0.6
71.01255	2.9
73.02814	0.8
75.25421	0.2
81.03339	1.5
85.02810	1.1
89.38644	0.2
93.03337	0.2
95.01286	0.5
99.00750	0.3
101.02293	1.4
108.02036	1.0
113.02327	1.3
122.03620	13.2
123.00760	0.3
123.03942	0.6
125.02306	1.0
136.01518	0.3
137.02333	1.3
140.71935	0.2
153.01796	0.4
154.02618	0.4
156.05673	0.2
159.02872	0.2
161.04469	1.1
169.06458	0.6
169.10120	1.8
171.08073	5.3
172.08478	0.2
213.09140	100.0
214.09480	8.1
214.11551	0.3
234.02806	0.2
260.65784	0.2
301.20239	0.3
375.27716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.9
58.00474	3.4
59.01253	39.0
61.04406	1.9
71.01257	37.2
71.49503	3.1
72.99187	4.9
73.02805	7.7
83.01282	5.7
85.02834	14.3
87.00726	2.5
89.02319	28.0
89.94462	1.9
99.00750	4.1
101.02327	29.1
113.02328	16.1
119.03397	14.0
120.29081	1.9
125.02343	6.3
138.89935	1.8
141.80481	1.8
142.07143	2.0
143.03487	2.1
161.04459	4.0
177.09137	7.3
179.05577	4.0
231.88811	2.0
255.08813	6.5
340.47751	2.3
357.15442	28.7
358.15759	2.8
375.16605	100.0
376.17007	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	373.2595
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03326	2.2
57.92963	0.3
59.01252	1.8
69.03312	0.7
71.01221	0.3
71.49881	0.3
72.53159	0.2
73.02802	1.0
76.56042	0.2
83.04906	0.3
87.04395	0.6
97.06461	0.6
109.02816	0.4
111.08051	0.6
114.92780	0.2
121.02847	1.2
123.08089	1.3
125.09623	2.6
127.11165	2.4
134.05774	0.2
135.04407	0.4
137.09625	1.6
139.03955	0.3
141.09109	0.4
143.10658	0.5
144.04453	0.3
145.02823	0.3
146.03546	0.2
147.04402	1.4
151.03947	0.3
153.09081	0.8
153.12772	0.5
155.10678	1.8
161.02386	0.2
161.05943	0.2
162.06728	0.3
169.12251	0.3
171.10176	8.9
172.10500	0.4
175.07536	0.3
185.11722	1.8
199.13422	0.4
200.10405	0.3
211.07719	0.3
217.14359	0.3
229.14423	0.5
230.15155	0.8
238.09456	0.8
241.05246	0.3
241.08536	0.3
243.15872	0.5
253.08549	0.3
255.06740	0.6
264.00143	0.3
267.06628	1.2
268.07401	0.4
269.08160	1.9
280.07300	1.0
281.01843	0.2
281.08136	0.8
283.09747	1.1
284.10468	1.0
285.20706	0.7
293.09158	0.3
295.09738	0.8
299.12939	0.3
311.09195	1.1
313.23849	0.2
323.09348	0.3
325.23758	0.6
327.21783	0.9
328.09549	0.5
329.10553	0.3
329.14032	1.5
330.13864	0.3
340.09558	1.6
341.10184	0.3
343.11841	4.5
343.24747	0.7
344.12143	0.7
353.23080	0.3
355.11874	4.1
355.24899	1.7
356.12015	0.5
371.24338	1.5
373.25919	100.0
374.26285	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	375.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	6.8
62.80119	1.3
70.77700	4.0
71.01247	4.5
72.99175	71.0
81.03298	1.7
85.02802	2.0
86.44678	1.5
89.02316	2.3
91.05404	5.1
92.12202	1.5
93.03331	50.5
95.01241	2.4
95.04906	8.3
97.02825	3.6
97.99971	4.9
101.02321	1.8
105.03333	4.3
107.04904	5.6
108.02053	4.7
108.52995	1.7
115.79846	1.5
119.04912	1.3
121.02840	100.0
122.03099	3.4
123.04401	63.0
124.04680	2.0
128.03419	2.3
130.08624	4.0
133.01857	2.6
133.02847	42.3
134.87918	1.5
135.04402	32.8
137.02315	4.3
147.04428	1.6
149.02339	22.9
151.03903	65.6
152.04256	2.9
163.03850	1.6
177.01843	2.4
195.02818	1.7
213.03987	1.8
375.09326	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	373.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65277	0.2
59.01253	0.5
71.49160	0.2
71.49592	0.2
93.03349	0.6
109.02773	0.2
125.02251	0.2
166.25241	0.2
182.07274	0.7
209.06021	1.3
210.06796	100.0
211.07527	38.4
212.07930	2.7
212.09793	0.3
253.08647	0.2
327.49213	0.2
332.02188	0.2
343.11777	0.3
373.12857	19.9
373.25665	0.4
374.13300	2.7
396.31134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
59.00964	0.2
59.01245	3.9
61.98695	0.3
63.05620	0.2
66.85444	0.3
71.01243	1.0
73.02811	0.7
73.34871	0.2
75.43854	0.2
81.03316	0.6
83.01259	0.4
85.02784	0.3
86.63875	0.2
89.02302	0.6
93.05638	0.2
93.94310	0.2
95.04914	0.4
97.06460	0.4
98.20545	0.4
101.02336	0.6
101.24073	0.2
113.02316	0.6
119.03378	0.3
123.04396	0.8
123.07998	0.5
125.02322	0.4
137.02351	0.4
147.04350	0.5
148.05196	0.3
151.03830	0.5
161.04585	0.3
161.05954	1.0
165.06970	0.6
167.03439	0.4
167.08559	3.6
168.08855	0.3
169.06502	9.8
170.06810	0.5
171.10097	0.4
171.58736	0.3
183.88097	0.3
190.11690	0.2
196.70705	0.3
205.08673	0.3
207.91806	0.3
209.05991	0.5
211.07574	100.0
212.07910	9.1
229.13538	0.4
277.21729	0.5
285.15076	0.3
285.20776	0.4
295.22672	0.3
313.23618	0.3
314.11407	0.4
325.23712	0.3
325.58929	0.3
329.13956	2.5
343.11853	0.4
343.24921	0.4
373.12756	0.9
373.25934	12.0
374.26202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02255	6.0
65.00191	17.3
65.99709	9.1
68.41003	3.6
69.28308	17.3
69.28726	15.9
83.01260	7.4
93.03283	4.4
93.20390	3.6
95.01253	10.5
100.14718	3.6
107.01274	15.7
109.02834	12.6
109.99978	12.5
111.00769	20.3
118.55796	3.3
121.02844	7.1
123.00764	14.2
123.85595	3.6
124.01515	5.5
125.02364	21.7
134.02298	4.4
137.02327	19.4
137.99460	4.2
138.99382	5.1
139.00279	42.1
141.01715	4.8
147.00786	5.3
148.03941	7.0
149.02336	10.2
151.00276	54.6
152.01112	19.3
152.02107	3.7
153.01549	3.2
153.20064	3.5
159.04381	4.4
161.02296	4.2
163.00259	11.4
164.01100	7.4
164.98180	13.8
165.01811	14.7
165.99007	14.1
166.99803	24.3
169.01353	13.0
175.00238	5.9
176.03401	5.0
177.01865	24.3
178.99800	73.4
179.03397	5.0
180.00491	14.9
186.01801	6.0
187.03912	7.2
190.01329	6.2
190.99785	8.0
192.00363	7.4
192.02927	10.1
193.01373	29.2
194.99324	20.4
199.04022	5.9
202.01389	16.6
202.99815	5.3
203.03418	9.6
205.01321	6.4
206.99274	15.0
207.99980	6.4
209.00531	6.6
215.03491	5.4
217.01456	5.3
218.00890	11.6
219.02864	5.9
220.02339	4.0
230.00896	11.1
232.02435	7.1
233.00804	10.0
243.02969	9.8
255.02878	6.5
258.01520	6.0
259.02356	7.8
275.01877	4.3
287.02020	19.1
288.02408	7.2
299.01965	4.4
301.03336	7.6
303.01218	5.5
305.02957	11.0
310.03543	8.9
315.01434	7.9
326.02997	6.7
327.01349	16.1
328.04520	6.6
331.00781	5.2
332.01733	100.0
333.02280	8.0
345.02377	16.5
354.02554	17.2
372.03058	54.7
372.07391	6.7
373.03906	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	372.1814
Annotation	(S)-Autumnaline
Peak:m/z	Relative Intensity
55.06510	2.4
56.97123	2.4
62.13503	3.0
65.99724	14.8
68.01189	2.3
70.21370	10.7
91.78371	2.6
99.00762	4.7
111.00777	3.7
133.01588	3.5
134.02371	8.0
135.00780	8.1
146.02382	3.9
147.03165	5.5
148.01569	17.7
149.02336	3.6
162.01845	11.5
163.00262	71.0
164.00998	2.7
172.05205	3.3
173.06010	4.8
174.01888	5.7
175.02652	45.9
176.01083	34.1
176.02690	3.2
176.03271	3.0
177.01833	7.4
185.05994	8.3
186.01787	2.7
187.07510	4.0
189.01866	4.2
201.05621	3.8
202.06252	9.0
203.02188	69.6
203.07010	12.1
204.02524	4.1
206.04463	3.2
207.01692	10.3
213.05405	3.2
216.31996	2.3
224.06987	3.0
229.04926	4.3
230.05807	8.0
230.08095	5.2
231.06580	20.1
234.03900	3.2
235.04822	29.6
253.07498	7.2
254.15543	3.9
269.15500	3.7
271.13434	5.8
272.14172	4.0
296.16446	15.1
298.14453	44.0
299.12451	21.3
300.13635	49.8
301.13849	4.0
313.14459	10.9
322.14374	21.8
331.15479	24.0
332.16226	36.6
340.15503	98.6
341.15747	10.8
345.17081	5.1
351.81290	3.0
354.17050	11.8
372.18134	100.0
373.18375	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	372.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02253	6.8
64.47740	4.2
64.57800	3.8
65.00191	7.9
65.99718	11.5
69.74541	7.5
69.74953	16.6
83.01269	8.3
83.04902	3.9
95.01260	8.5
98.20538	7.8
99.00777	6.5
107.01280	14.2
109.02822	7.6
109.99979	13.5
111.00768	10.2
121.02879	8.3
123.00767	8.9
124.01553	6.6
125.02342	28.1
135.00754	5.4
136.98743	5.9
137.02338	20.9
139.00298	31.6
149.02325	8.8
151.00287	48.3
152.01006	12.5
160.52736	4.0
161.02361	5.2
163.00252	11.9
164.00935	8.1
164.03377	4.6
165.01888	21.1
165.99002	16.3
166.99828	21.9
168.00536	7.8
169.01265	9.0
177.01862	18.9
178.01431	8.6
178.99788	84.9
180.00589	10.7
186.01849	5.2
192.00543	11.3
192.02994	13.5
193.01405	24.2
194.99309	16.4
202.01427	14.4
203.03360	5.8
205.01422	8.3
206.99254	21.0
207.99725	6.7
217.01340	6.0
218.00980	7.2
219.02992	7.8
220.02512	6.2
227.03400	7.5
230.00810	9.5
232.02562	4.4
233.00935	12.2
243.02834	11.4
245.01019	4.2
246.00421	5.6
246.35141	4.6
259.02414	13.3
259.47296	4.3
267.73611	3.9
271.02417	7.4
282.03909	5.0
287.02011	18.1
299.01910	6.8
303.01175	7.1
305.03024	12.3
310.03586	9.0
315.01355	16.0
326.03033	6.1
327.01303	12.2
328.04663	5.6
331.01318	4.9
332.01691	100.0
333.02069	11.1
344.04105	5.3
345.02454	13.9
354.02472	20.4
372.03189	58.0
373.03323	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	371.2438
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
52.61663	0.5
52.84634	0.4
55.02719	0.4
57.03320	1.5
59.01250	4.5
62.40795	0.5
64.98104	0.4
69.03333	0.6
71.01234	1.0
71.49684	0.6
73.02807	1.1
77.86617	0.5
78.15254	0.5
80.44067	0.4
80.82817	0.5
83.04910	0.5
87.04382	1.1
97.06457	0.9
102.05980	0.5
109.01593	0.4
123.08044	1.5
125.09608	2.4
127.11177	0.6
137.09668	0.8
139.11180	1.5
141.09010	0.5
141.12727	1.1
143.10643	0.6
151.11115	0.7
153.09142	0.6
157.34293	0.5
169.12216	0.9
171.10167	8.3
172.10448	0.5
185.11781	2.9
214.12100	0.7
215.12895	1.0
228.13603	0.5
241.12331	1.5
254.05737	0.7
267.06750	0.9
267.09952	0.8
279.10501	0.6
281.08502	0.4
281.17529	0.5
287.27682	0.4
297.11276	0.4
313.10883	0.7
324.09955	0.8
325.10809	2.6
339.12485	1.4
341.10178	4.8
341.23276	5.9
342.10605	0.7
353.23380	1.3
356.12646	2.2
369.22565	0.6
371.15021	9.7
371.24359	100.0
372.15369	2.1
372.24673	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	371.2439
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
51.17513	0.5
54.53772	0.5
57.03318	1.7
59.01250	5.2
59.70856	0.5
60.84695	0.5
64.18575	0.5
67.64742	0.6
71.01249	1.7
72.72975	0.6
73.02820	2.8
77.39133	0.5
85.02818	0.9
87.04388	0.9
89.02349	0.7
93.06991	0.8
96.57243	0.5
97.06456	1.1
98.19760	1.0
101.42078	0.5
121.02779	0.6
123.08017	2.1
125.02324	1.1
125.09614	3.0
126.00438	0.6
137.09567	0.9
139.11188	1.0
141.12732	0.9
147.04396	2.5
148.05173	2.1
148.47725	0.6
151.11197	1.3
153.09042	0.7
155.10674	0.6
161.05960	1.0
169.12241	0.6
171.10179	9.3
185.11812	2.7
191.03436	5.2
191.07063	3.8
192.03893	0.7
200.10303	0.6
206.90822	0.5
208.05266	1.0
215.12807	1.0
224.03397	0.6
227.16344	0.6
228.13693	0.6
234.05197	0.6
235.06006	1.5
238.04727	0.9
241.08630	0.6
243.16000	0.8
248.27592	0.5
265.04980	0.8
267.06622	1.5
269.08179	1.0
279.06522	0.8
282.09052	0.8
283.09760	0.6
294.08923	0.7
295.09641	1.0
295.22699	0.5
297.11359	0.9
309.07898	1.0
311.22504	0.8
312.10071	1.2
313.10760	1.2
323.05710	0.8
323.09326	0.8
325.10852	1.0
327.08829	0.7
327.12415	2.5
327.25351	1.0
338.07910	1.1
341.10312	5.8
341.23404	6.6
342.10522	0.8
342.23685	0.7
353.10303	3.1
353.23364	1.3
354.10657	0.6
356.12717	2.0
369.22668	0.5
371.11203	3.3
371.14978	6.1
371.24374	100.0
372.15268	1.0
372.24707	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	371.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26670	0.6
55.01762	7.9
57.03328	7.7
57.70482	0.8
58.00460	2.0
59.01249	48.8
61.47747	0.6
71.01253	100.0
71.07418	1.5
72.99187	2.8
73.02817	31.1
75.00748	1.9
81.11336	0.6
83.01258	14.8
83.01726	1.1
85.02822	45.1
85.99965	0.7
86.03130	0.8
86.38245	0.9
87.00748	4.2
89.02312	19.5
89.02845	1.1
95.01263	8.3
97.02832	1.8
99.00763	14.4
101.02324	78.0
102.02676	2.1
111.00779	1.9
113.02332	38.6
119.03399	6.7
123.08053	0.9
125.02332	2.9
129.01830	1.4
131.03400	1.2
137.02336	1.1
137.09650	1.5
139.00235	0.8
143.03386	5.6
146.24657	0.7
151.00250	0.8
159.02896	9.1
161.04465	47.2
162.04750	1.3
178.99786	0.8
205.03517	2.0
209.15417	10.4
221.81149	0.6
279.16040	1.4
332.01764	1.2
371.20718	39.7
372.03314	0.8
372.21042	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	371.2226
Annotation	(+)-Hongoquercin A
Peak:m/z	Relative Intensity
58.19093	0.4
59.01246	0.7
61.63865	0.3
74.04213	0.3
79.29352	0.4
85.02830	0.8
107.04926	2.6
108.02073	0.3
109.02817	0.6
110.41838	0.3
121.02808	0.4
122.03623	8.8
123.04395	1.3
127.03912	0.4
134.03641	0.9
134.88951	0.3
134.95853	0.3
135.04413	38.4
136.05214	18.8
137.06000	11.7
138.06325	0.5
147.04472	0.3
148.05199	6.8
149.05983	5.0
149.07088	0.6
150.45674	0.4
151.03963	1.6
159.04366	0.5
174.06741	2.3
175.07521	1.6
176.08267	0.8
177.09146	1.8
177.16481	0.3
188.08421	0.6
189.09123	3.6
190.09825	0.4
201.09157	0.4
203.10677	0.3
209.96548	0.4
226.52480	0.3
258.16241	4.5
259.16785	0.9
312.20959	5.4
313.21533	1.0
326.22354	0.6
327.23273	100.0
328.23630	13.8
335.42978	0.4
341.21155	1.7
359.22574	1.6
360.22665	0.5
371.22208	7.1
372.22556	1.0
381.62320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	7.8
57.03323	7.4
57.42340	0.4
58.00468	2.9
59.01249	46.5
60.01582	0.7
68.99707	0.5
69.03314	1.7
71.01250	100.0
71.13065	0.9
72.01596	1.3
72.99181	4.1
73.02815	29.1
74.03186	0.5
75.00738	1.3
80.33689	0.4
80.82803	0.4
81.03336	0.7
83.01254	14.7
84.02042	0.7
85.02821	45.5
85.99961	0.9
86.03143	0.9
87.00762	4.8
89.02314	21.0
91.35060	0.4
95.01261	5.8
97.02832	2.0
99.00755	13.9
101.02319	77.3
102.02662	1.5
111.00738	1.3
113.02328	37.7
114.02688	1.0
119.03391	7.4
121.06465	0.5
123.07985	0.6
125.02311	3.3
129.01796	1.9
131.03374	1.3
137.09595	1.3
139.00246	1.0
143.03395	4.9
149.04411	0.8
149.09648	0.5
151.00298	0.9
159.01653	0.8
159.02896	9.7
161.04457	47.6
162.04791	1.8
178.99696	0.9
179.05498	1.3
183.13095	0.4
205.03421	2.5
209.15404	10.3
279.15939	0.5
332.01556	0.9
371.20706	41.8
372.20984	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	371.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	19.2
68.71289	4.6
69.55508	31.7
71.01260	25.3
72.99178	20.0
73.02812	5.4
74.32375	4.5
75.00763	10.6
85.02820	18.0
87.00757	24.1
89.02288	7.9
93.45555	4.0
99.00752	6.5
101.02316	8.5
103.00248	13.8
109.02802	10.8
111.86533	4.8
113.02329	10.2
115.00212	6.1
117.01801	10.0
119.03362	6.7
127.03933	5.2
147.02846	5.7
191.05551	100.0
193.03217	5.5
236.53799	5.9
371.07739	25.6
384.11859	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	371.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20577	0.5
57.02978	0.5
57.03308	1.0
58.00477	0.6
59.01258	3.1
61.98691	0.6
71.01254	1.6
71.29416	0.5
73.02819	15.6
75.73688	0.5
81.03330	0.9
84.02062	1.6
85.02814	11.7
91.81095	0.5
97.02832	1.6
99.04399	4.8
107.04912	1.3
121.02871	1.1
121.06473	0.6
147.04428	3.8
149.06110	0.7
155.08575	1.9
171.10179	0.6
173.05930	0.7
177.61862	0.7
185.09595	0.9
199.07616	1.3
211.07709	0.6
213.05598	1.4
213.09196	0.9
213.12796	2.2
215.07141	0.8
223.11278	1.3
227.07187	0.9
241.04979	1.8
241.12337	10.8
242.05789	0.8
242.12642	0.9
243.06552	3.2
251.10793	1.3
252.07999	0.7
255.06760	0.7
267.10281	0.9
269.11783	2.0
279.10184	0.7
285.11212	0.8
297.11346	4.2
313.10815	19.8
314.11163	2.9
323.09146	0.7
325.11063	0.9
341.10263	79.1
342.10596	9.5
355.11621	0.8
356.12604	32.3
357.12869	3.6
371.14957	100.0
371.24274	6.5
372.15332	13.2
372.19528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37163	0.6
51.61406	0.6
53.24714	0.5
57.03314	6.8
59.01248	3.5
71.04881	1.0
71.21336	1.2
109.02820	0.8
121.02821	1.1
137.02344	0.8
151.03876	1.0
157.46849	0.5
159.04416	0.8
180.93863	0.6
183.08165	0.8
185.09612	0.8
190.02492	0.6
199.03964	1.0
199.07574	1.0
201.09064	0.6
203.07072	1.2
210.06625	0.6
211.07516	1.2
212.04779	0.8
213.09154	1.7
225.09167	1.4
226.06195	0.8
227.06892	1.3
229.08644	2.0
237.05624	1.2
238.06364	2.8
239.07121	1.2
239.10622	0.8
241.08652	7.3
242.09045	1.2
245.08665	0.5
250.06348	0.8
251.10721	1.5
253.08733	3.8
254.09167	1.1
255.06592	1.7
255.10168	1.0
256.07248	1.0
257.08191	5.6
257.11862	0.9
265.05057	9.4
266.05698	2.0
267.06464	1.1
267.10248	3.2
269.08203	13.2
269.11319	1.1
270.08676	1.6
279.10312	1.1
280.07370	3.3
281.08060	2.3
282.08865	3.0
283.09656	1.7
284.06964	1.4
284.10321	0.7
285.07690	7.0
285.10764	1.3
288.06366	1.4
295.09738	14.2
296.10260	2.5
297.07648	4.4
297.11279	3.5
298.04892	1.0
298.08090	1.4
300.10098	1.6
301.59048	0.6
305.08075	0.8
309.11450	0.8
310.11813	0.9
311.12854	0.7
312.06326	4.5
312.10007	10.3
313.10770	13.2
314.07907	0.7
314.11160	1.5
315.12305	2.3
323.09308	5.0
324.09973	3.5
325.10788	11.7
326.11102	1.8
327.12369	18.3
328.12979	5.4
337.10638	0.8
339.12311	4.5
341.10248	45.3
342.10495	5.7
355.11685	0.9
356.12616	25.2
357.13016	2.4
371.14951	100.0
371.24347	6.5
372.15326	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	371.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.8
68.03309	0.1
70.63367	0.4
96.70908	0.1
141.06995	0.5
165.07002	18.6
166.07376	1.1
167.04927	6.1
168.05217	0.5
185.11768	0.3
208.05270	0.3
209.06015	100.0
210.06360	8.2
247.56769	0.2
249.86044	0.2
255.94257	0.1
341.10425	0.3
341.23364	0.2
356.12482	0.2
371.14911	0.3
371.24380	3.5
372.24716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62724	1.1
55.85278	1.0
59.01249	15.3
60.23661	1.1
65.70882	1.0
71.01237	2.4
71.49963	1.6
73.02793	1.8
83.04908	1.3
85.02821	1.2
89.94043	1.2
91.05396	1.3
94.69528	1.0
97.06454	2.5
107.68439	1.1
108.02030	3.7
119.04914	17.9
121.02821	1.9
123.00710	1.5
123.04400	2.6
123.08041	1.2
125.02289	1.7
125.09619	2.3
133.06497	1.5
135.04352	1.6
139.11157	1.6
145.02824	2.4
147.04413	49.9
148.05215	42.5
149.02303	2.6
149.05499	1.8
150.03096	6.9
151.03990	5.7
153.05489	2.2
159.04253	1.4
160.05205	3.0
161.06001	13.8
162.03139	9.4
162.06828	6.2
163.03897	4.3
163.07533	2.4
164.04608	3.5
165.05402	1.4
169.01341	1.3
171.04495	1.3
171.10159	4.5
174.03041	2.8
175.03905	3.0
176.04716	15.4
180.04181	9.9
181.04585	1.5
185.11739	4.6
188.04622	1.7
189.05499	7.6
190.02669	1.3
190.06180	3.3
191.03418	100.0
191.07056	82.0
192.04117	11.7
192.07347	6.3
193.04605	1.3
193.10661	1.2
194.05801	9.6
202.02603	1.1
203.06874	2.0
206.05762	16.4
207.06244	1.5
209.05949	1.6
211.07512	1.5
220.03703	17.6
223.07581	2.8
224.03151	16.5
225.03641	1.5
233.04439	10.8
234.05168	8.4
235.06041	27.0
236.06416	2.3
237.05637	1.6
238.04767	36.8
239.04982	2.6
239.07104	4.7
247.06068	2.7
249.05417	2.2
250.06406	2.2
251.07127	8.1
263.07129	1.9
264.07935	2.4
265.08588	2.4
267.06631	15.5
268.07394	14.3
269.07990	1.8
275.20074	1.4
278.05658	1.5
279.06528	10.8
281.07980	1.5
282.08917	4.8
283.09854	5.5
284.10443	1.3
285.07678	1.3
293.08328	1.5
294.05365	3.4
294.08957	7.6
295.06161	5.4
297.11249	2.6
299.12762	4.9
307.05856	1.4
309.07843	7.4
309.11066	1.8
310.08368	2.8
311.05634	1.9
312.06311	4.1
322.08478	2.8
323.05640	9.9
326.07849	2.9
327.08655	13.5
327.12375	20.0
328.09082	1.7
328.12665	2.6
337.07498	1.7
338.08041	11.8
339.08121	1.3
341.10315	22.9
341.23419	5.3
342.10397	2.6
353.10333	35.0
353.23203	1.7
354.10577	3.2
371.11298	98.3
371.14844	5.6
371.24326	71.5
372.11743	12.8
372.24649	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	369.134
Annotation	LMPK12070002
Peak:m/z	Relative Intensity
57.29708	0.4
58.15120	0.3
59.01250	0.4
69.86533	0.4
98.20506	0.9
109.02798	0.6
123.04427	0.4
135.04390	0.9
135.19223	0.4
137.02324	0.8
138.03052	0.6
145.02838	0.4
147.04472	0.6
148.05157	0.6
149.05965	0.8
150.03070	0.8
151.03922	0.5
161.02345	1.1
163.03882	1.1
173.05943	0.5
174.03102	0.6
175.03902	1.1
176.04546	0.5
177.05548	0.5
178.95699	0.3
184.05003	0.4
187.03912	1.2
187.07605	0.4
189.05490	1.1
190.05920	0.3
195.08232	0.4
197.05994	0.5
199.03844	0.7
200.04689	1.2
201.05478	0.8
203.07059	0.6
211.04036	0.7
211.07587	0.9
212.04698	1.6
213.05437	0.9
215.03349	0.8
215.07042	0.5
216.04225	0.6
218.05792	0.9
223.07541	0.5
224.08360	0.5
225.05434	0.7
226.06271	0.9
227.03456	0.6
227.07076	1.1
231.06473	0.8
232.07254	0.8
237.05548	1.2
237.09218	0.5
238.06273	0.6
238.09767	0.3
239.03436	0.5
239.07115	1.1
239.10692	0.8
240.04140	0.6
240.07855	0.4
241.04921	0.7
241.08656	0.7
243.02905	1.3
244.03525	0.5
249.09174	0.7
251.07028	0.8
252.07838	0.7
253.05083	0.6
254.05698	0.6
255.06659	0.9
255.10252	3.0
256.03818	1.7
258.05228	0.4
262.06458	0.4
263.03516	0.8
264.04196	0.4
265.05191	1.9
265.08691	3.0
267.06592	1.6
267.10175	1.1
268.03741	1.0
268.06967	0.4
269.04471	0.6
270.05389	0.5
271.06128	1.7
277.08517	0.5
279.06641	1.2
279.10101	0.8
280.03860	0.7
280.07275	0.8
281.04562	1.0
282.05396	0.7
283.06116	4.3
283.09729	7.7
284.06442	0.7
284.10135	0.6
293.04828	0.6
293.08170	2.3
294.05399	0.4
294.08759	0.7
295.06314	0.7
295.09741	1.9
297.04501	0.4
297.07620	1.5
298.08353	1.6
307.09885	0.6
308.10248	0.7
310.04892	0.4
310.08310	0.7
311.05798	0.7
311.09232	9.2
312.09406	0.6
313.07132	0.8
321.07623	4.2
322.08441	1.0
323.05597	0.6
323.09171	3.3
325.10706	0.8
326.07809	0.7
326.11417	0.5
335.09247	0.6
336.09988	1.4
337.10522	0.7
338.07846	2.6
339.08694	27.3
340.08960	3.1
353.10266	6.6
354.11044	26.0
355.11411	2.5
369.13397	100.0
370.13724	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	369.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62480	3.1
57.69949	3.1
59.01247	11.7
70.31016	8.2
71.01254	21.9
72.99175	8.6
73.02810	37.1
75.00735	8.5
81.03349	4.0
85.02827	17.5
87.00745	96.9
89.02312	7.9
93.03347	4.5
93.51744	3.9
95.01229	3.5
97.02821	8.4
98.20434	3.7
99.00738	8.0
99.04395	7.9
101.02304	9.0
103.00246	9.3
103.03864	3.8
109.02838	22.6
111.00763	5.3
111.04393	7.5
113.02361	7.8
115.00240	17.1
117.01836	3.7
123.04398	3.2
125.02326	19.0
127.00314	4.9
127.03887	32.1
129.01820	15.3
139.03954	7.8
141.01840	5.0
143.03395	7.7
145.01274	18.8
146.01579	3.4
146.76939	3.3
151.03917	11.8
153.01860	18.6
157.05023	4.5
159.02890	6.1
169.04973	8.3
171.02892	100.0
175.02435	9.6
189.03970	67.3
191.05536	40.8
195.02861	5.4
201.03923	3.9
213.03897	7.7
219.05006	26.8
220.89403	3.5
231.05029	22.4
243.05090	3.6
249.06136	63.8
261.06073	12.2
279.07205	49.0
309.08258	7.3
333.08304	4.1
351.09271	11.0
369.06100	7.2
369.10321	69.2
370.10486	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	365.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.1
57.03315	1.2
59.01249	6.1
71.48797	1.4
73.88814	0.9
79.01749	7.7
89.83547	0.7
91.05420	2.5
111.04388	7.0
123.04415	2.7
135.04416	9.4
145.06511	1.7
149.02368	1.8
150.02898	0.9
151.03879	3.3
151.05046	0.8
163.03906	1.1
164.04659	3.7
166.25896	1.0
171.04448	2.0
179.03432	5.2
183.08070	2.5
190.43526	0.8
192.04192	2.2
194.04308	1.3
197.09630	1.3
213.09099	1.3
224.03242	1.3
237.09190	1.2
239.10716	2.4
241.08707	4.4
255.10280	5.4
267.04965	1.5
283.09735	100.0
284.10089	7.8
305.08871	1.0
323.07718	3.3
339.71719	1.0
365.08817	8.9
366.09164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	13.0
71.49250	1.9
97.37044	1.5
117.03349	10.0
119.04912	57.2
120.05251	2.6
145.02855	45.8
163.03917	100.0
164.04251	5.6
203.02223	2.4
219.12294	4.4
220.78377	1.7
249.25548	2.0
295.45813	2.1
307.38004	1.6
365.16113	2.6
366.08289	2.2
370.08841	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94861	2.2
55.01758	4.0
57.03306	3.9
59.01246	33.5
61.98698	5.2
66.08536	2.5
68.10362	2.2
69.95050	11.3
71.01251	47.9
71.40259	2.3
73.02816	24.5
75.17312	2.3
78.36161	2.3
83.01260	10.3
85.02825	24.6
87.00748	3.0
89.02319	12.4
89.64907	2.2
95.01230	3.6
97.02834	2.8
99.00757	9.4
101.02323	51.8
113.02298	16.6
115.03852	2.6
125.02327	2.4
131.03412	4.8
149.04459	2.5
159.02937	2.7
161.04457	22.7
183.72990	2.4
209.76550	2.3
235.11824	100.0
235.14200	5.8
236.12029	4.3
307.10358	3.1
367.16068	80.7
368.16449	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
53.21376	0.7
59.01259	3.0
65.00175	1.0
68.78324	0.7
71.49323	1.2
85.02803	0.7
95.01261	0.8
109.76143	0.7
123.00784	1.0
128.03442	0.7
145.02841	0.8
145.68439	0.7
147.04301	0.7
151.00302	2.3
158.03644	14.6
159.04448	5.0
171.04469	1.6
173.05916	0.8
178.99724	1.3
185.62401	0.8
193.01376	1.5
201.05528	1.8
201.10309	0.8
202.02657	100.0
202.72707	0.9
203.03166	8.0
213.05579	1.9
231.06660	1.0
245.04576	1.0
275.05655	2.1
365.03741	1.2
365.08746	37.8
366.09082	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	365.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40777	1.6
53.35463	1.2
59.01255	8.1
68.99680	1.8
77.58839	1.2
79.01754	1.9
98.19780	3.0
99.00823	1.2
101.02350	1.2
104.35674	1.2
105.03324	1.4
107.01247	4.6
108.02030	1.7
111.04426	2.1
123.00766	2.1
135.00804	9.1
135.04405	2.2
136.01558	19.5
149.02359	1.3
151.00325	1.3
153.05513	2.4
163.00362	2.3
164.01091	14.5
179.03368	5.7
220.08784	1.7
229.38591	1.4
240.07927	1.8
268.07434	6.8
283.09747	100.0
284.10025	10.2
304.97827	1.3
365.09103	3.4
368.83533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	25.9
65.00184	16.4
71.01268	12.5
71.76510	7.4
81.03323	9.8
83.01248	25.5
90.45808	9.3
95.01260	33.5
99.00765	23.0
103.05483	7.8
105.32589	8.4
107.01268	9.0
111.00735	43.5
113.02331	14.2
123.00758	66.1
125.02319	33.3
135.73016	8.5
136.98787	9.0
139.00237	74.3
141.01834	31.2
151.00270	80.7
153.01808	29.3
154.99742	35.9
163.00229	13.5
164.98218	11.9
165.98914	10.6
166.99763	100.0
168.00468	9.7
169.01302	19.5
178.99800	80.6
190.99844	12.6
191.03413	12.4
193.01230	10.1
193.98541	8.1
194.99237	64.1
205.01300	15.1
206.99258	28.3
209.00821	31.7
213.00256	21.3
215.03383	8.6
219.02998	11.1
222.98846	38.4
229.01328	12.9
235.02386	12.1
247.02441	20.7
257.00861	17.0
259.02524	13.8
275.01758	15.2
285.00406	9.5
303.01483	10.7
347.00323	28.9
365.01193	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	365.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00759	0.8
59.01247	3.6
69.14848	6.9
69.15258	2.0
71.01254	1.8
79.46493	0.7
85.02813	8.7
87.00759	2.5
92.32963	0.8
93.03336	3.3
95.31430	0.7
96.95895	3.0
98.19841	1.3
108.02061	1.6
109.02847	2.7
110.03203	0.9
111.04368	1.7
114.67122	0.8
115.77976	0.8
127.03938	2.0
142.18849	0.8
142.99754	1.6
153.01820	6.9
173.04364	0.8
191.05534	100.0
192.05869	3.1
210.99153	3.0
365.01959	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	361.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50418	0.3
59.01248	4.1
69.58489	1.9
70.27488	0.3
70.39893	0.3
71.01252	1.4
72.99163	0.4
75.13995	0.2
85.07400	0.2
89.02309	3.0
91.03879	14.1
92.04198	0.4
98.19778	0.4
99.08054	1.2
129.09067	0.6
139.11150	0.3
141.12735	1.6
155.14310	0.4
161.53107	0.3
197.62845	0.3
221.18900	0.3
239.20001	0.3
241.21696	0.8
242.22403	0.3
269.21188	3.1
285.20740	1.5
287.22256	100.0
288.22580	8.4
309.84793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1656
Annotation	Sauriol A
Peak:m/z	Relative Intensity
51.38616	0.6
59.01233	2.3
60.33288	0.6
69.97199	2.6
71.01234	2.1
80.35044	0.6
85.02802	1.5
93.03329	3.2
95.66471	0.6
101.02293	1.7
108.02037	0.9
109.02834	7.0
119.04861	1.2
121.02845	31.5
122.03643	19.7
123.04356	2.7
124.01507	2.7
129.03322	2.0
134.03604	1.1
135.04346	2.8
136.05136	1.8
137.02354	3.0
139.74130	0.7
146.03574	1.9
147.03326	0.7
147.04422	10.9
148.05150	1.0
149.05923	2.5
154.02534	2.7
159.04361	1.0
160.05165	0.8
161.05992	4.5
162.97012	0.6
163.03786	0.8
164.04665	1.6
165.05484	31.3
166.05774	1.1
173.05922	1.0
175.07544	0.9
177.05583	0.6
179.07051	13.2
191.07063	0.8
201.15495	0.6
208.07249	0.7
209.08072	1.0
218.52740	0.7
223.09622	1.5
313.14307	1.4
315.12393	3.3
316.12939	1.3
333.33997	0.6
346.14236	11.1
347.14478	1.5
361.16425	100.0
362.16785	12.9
375.79904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	7.6
70.25928	3.9
121.02838	13.5
123.00759	4.0
125.02393	3.6
137.02399	5.4
137.06038	3.5
147.04439	6.5
149.02373	5.4
149.05954	3.4
150.03183	14.2
158.03653	5.4
159.04460	18.4
160.04070	4.7
160.05238	53.1
161.06023	16.3
163.03897	10.3
164.04747	12.8
173.05984	4.8
175.04010	5.9
175.07579	41.8
177.05470	8.7
178.06221	8.8
192.25662	3.4
193.04953	3.7
193.08693	3.5
205.08568	3.9
269.67688	3.1
329.10330	3.8
329.13916	100.0
330.14362	14.4
344.12534	6.2
359.07574	4.1
359.11218	4.9
359.14905	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	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54399	0.8
68.78807	0.8
70.78781	2.5
88.22795	0.9
93.86462	0.8
95.04842	0.8
107.04893	2.3
108.02054	3.1
121.02818	2.6
121.06477	3.3
122.03617	1.5
123.04408	6.3
134.03682	1.3
135.04413	42.1
136.04762	1.1
137.02316	2.3
148.05240	0.9
149.02325	1.4
149.05975	15.6
150.03119	12.6
150.06271	1.0
151.03807	1.0
158.06073	0.9
162.03142	0.9
163.03893	3.7
164.04636	1.4
165.05496	4.3
166.06207	1.5
172.90926	0.9
176.73972	0.9
179.07060	36.3
180.07841	90.5
181.08203	4.7
182.05750	2.5
192.07834	2.0
193.08621	1.1
194.05794	6.0
194.09373	3.4
195.10185	9.5
207.06506	1.6
208.07356	23.0
209.07663	1.0
212.06866	5.0
221.08160	1.5
222.08882	2.5
223.09712	100.0
224.10033	5.3
226.08366	8.2
235.09738	1.1
238.01630	1.3
269.08191	2.8
283.09650	1.2
292.09109	1.0
296.10507	0.9
299.09216	1.4
300.10211	2.2
311.09207	1.3
314.11664	0.9
315.12277	3.0
316.13080	2.2
326.11536	3.2
329.03894	1.0
331.15594	6.0
341.13739	1.6
359.11212	1.4
359.15045	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	357.2644
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03314	1.0
59.01242	0.9
61.98686	0.3
71.01229	0.3
71.48722	0.5
73.02815	0.4
78.65498	0.3
90.70010	0.3
110.68100	0.3
121.02834	2.0
123.04488	0.4
127.64649	0.3
139.11211	0.5
151.03964	0.4
153.70132	0.3
155.14133	0.3
167.06978	0.6
175.22206	0.3
199.13345	1.5
227.14322	0.3
279.23306	0.8
291.23395	1.5
297.24368	2.0
298.24588	0.4
303.23288	0.4
309.24338	2.4
311.22260	2.8
311.25674	0.4
312.22668	0.5
321.24216	0.6
325.23776	0.6
327.12051	0.3
327.25363	12.0
328.25754	1.1
339.25381	2.5
340.25284	0.4
355.24805	0.8
357.26416	100.0
358.01001	0.4
358.26761	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	357.2646
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.25236	0.3
57.03313	0.9
59.01249	1.1
71.49091	0.3
121.10106	0.3
129.45700	0.3
136.01541	0.3
151.03894	0.4
185.11830	1.1
199.13414	2.1
217.82751	0.3
222.25865	0.2
227.16409	0.5
241.37399	0.3
251.15816	0.3
279.23270	1.2
285.20816	0.4
291.23322	1.9
297.24207	2.2
298.24924	0.4
303.23199	0.6
309.24356	1.9
311.22305	0.7
311.25693	0.5
321.24387	0.6
325.23798	0.8
327.12234	0.7
327.25397	17.7
328.25800	2.0
339.25311	3.4
355.24866	0.5
357.09662	1.0
357.26453	100.0
358.26797	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	357.1705
Annotation	Sphenanlignan
Peak:m/z	Relative Intensity
57.03304	0.6
69.19956	0.9
69.20358	2.9
70.48419	0.3
71.01237	0.3
71.04876	1.4
84.06496	0.4
85.06452	1.6
119.33791	0.4
127.55122	0.4
129.06976	0.3
133.02827	0.4
135.04384	0.9
141.06952	0.6
151.07510	0.6
154.07793	0.6
155.08551	0.4
156.05623	0.4
158.03696	0.5
171.04410	0.7
177.01886	0.6
179.03419	0.6
183.08034	1.4
189.05482	0.5
195.06512	1.1
196.07176	0.3
197.06085	0.9
197.09592	0.6
199.11278	0.5
209.13280	0.7
210.06812	0.6
211.07613	3.7
222.01663	0.4
225.12866	1.0
227.14359	41.1
228.14670	3.0
237.12840	0.7
239.07059	0.6
239.14362	0.6
240.07867	0.4
255.06615	0.5
255.13867	7.2
256.14236	0.6
268.07361	2.0
269.08099	0.5
271.13315	2.6
283.09808	2.1
283.13370	9.4
284.13547	0.8
299.12860	27.3
300.13181	2.8
311.12811	0.7
327.12350	97.5
328.12717	9.0
342.14691	38.5
342.19049	0.6
343.15070	4.3
357.17044	100.0
358.17371	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1707
Annotation	Sphenanlignan
Peak:m/z	Relative Intensity
51.46423	0.4
57.03309	0.6
58.12540	0.3
66.72617	0.5
67.83110	0.3
70.11234	0.3
71.04866	1.0
85.06476	1.8
85.06870	0.3
85.41402	0.4
101.53497	0.4
129.06964	0.7
141.07002	0.5
155.08533	0.6
160.65283	0.3
171.04370	0.6
182.52324	0.3
183.08084	1.7
197.06013	0.7
197.09712	0.5
199.11194	0.4
200.56577	0.3
208.05023	0.3
209.13287	0.9
210.06769	1.1
211.07576	3.8
225.12637	0.6
227.14369	40.7
228.14671	3.3
237.12680	0.8
253.12227	0.9
255.13866	6.8
256.14178	0.8
268.07361	1.3
271.13373	2.7
283.09802	1.7
283.13354	10.2
284.13779	1.0
299.12885	28.6
300.13312	2.7
305.60513	0.4
311.12897	0.6
327.12363	100.0
328.12698	8.7
342.14703	35.4
342.19025	0.7
343.15036	4.0
357.17068	95.8
358.17392	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	357.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13278	1.3
59.01238	3.1
59.12228	1.2
69.14889	7.3
69.15321	8.9
79.95592	4.2
85.96566	1.5
98.20572	2.8
103.88120	1.2
108.02054	22.7
116.04938	4.1
120.04415	4.9
121.02866	2.7
121.06492	1.8
122.03578	1.8
123.04398	34.4
131.04936	1.9
135.04399	2.2
136.01527	1.8
143.04964	1.5
145.02847	3.2
145.06448	2.1
146.05988	2.3
147.04396	5.0
148.05170	10.6
149.02328	3.3
149.06017	7.8
150.03120	9.3
158.03639	3.5
159.04427	14.9
160.05193	23.7
161.05861	6.1
162.03105	5.4
163.03870	1.9
164.04666	2.6
165.05437	1.9
173.05956	2.3
174.03180	11.6
175.07521	8.4
176.04668	6.4
177.05481	93.6
178.06250	29.4
180.04237	1.6
187.03880	17.3
188.04704	18.6
191.07065	31.8
192.04146	2.5
192.07809	11.6
193.08528	2.5
203.07062	100.0
204.07411	6.8
206.05811	19.2
210.05266	10.5
219.06497	2.5
220.07362	3.4
221.08131	70.5
222.08463	6.3
224.06857	17.3
233.08220	1.8
245.20680	1.5
277.09964	7.5
279.06680	1.5
280.07413	4.2
281.08069	5.5
291.06534	4.0
294.09000	1.7
296.10434	3.4
297.07605	1.9
298.08395	2.9
299.12772	2.4
309.07712	6.5
311.12695	3.6
312.10092	1.4
313.10638	4.8
324.09921	6.5
327.12363	12.4
339.12338	34.9
340.12567	3.1
342.10858	2.0
357.05502	6.1
357.13354	36.6
357.26328	2.8
358.13696	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	357.0613
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
76.26799	0.2
77.03838	0.3
93.03342	0.2
100.21780	0.2
102.84689	0.2
107.02278	0.2
121.02837	100.0
122.03172	3.8
141.94501	0.2
144.75632	0.2
147.71478	0.2
165.01849	1.3
180.05696	1.9
181.06519	6.5
181.08160	0.3
182.06802	0.6
225.05516	6.0
226.05852	0.7
269.08093	0.3
298.60910	0.2
313.07178	7.8
314.07565	0.9
327.87924	0.2
357.06137	29.3
357.26370	0.5
358.06464	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	357.119
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.64326	0.4
59.01247	17.8
71.01243	1.3
73.02827	0.7
76.08325	0.4
76.51498	0.4
108.02054	1.7
119.04889	2.1
121.02827	1.5
123.04375	2.9
124.01542	1.0
125.02309	0.6
130.29338	0.5
134.03679	0.5
135.04402	8.1
136.05196	12.2
137.05534	0.6
141.53983	0.5
150.03087	0.5
151.03915	2.7
151.07494	2.9
195.06543	100.0
196.06870	6.2
229.50261	0.7
290.78177	0.6
337.54776	0.5
342.59702	0.5
352.19952	0.5
357.12170	1.0
371.68860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0986
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01249	2.0
60.87497	0.4
69.98120	0.3
70.04366	1.8
71.01269	1.1
83.01263	0.4
85.02839	1.0
88.18299	0.3
101.02333	0.5
104.04921	0.6
106.06507	100.0
107.06845	4.0
113.02335	1.5
118.06493	2.9
120.08035	0.5
123.04416	0.7
125.02345	0.4
142.14888	0.4
146.05998	1.2
150.05511	81.8
151.00328	0.5
151.05856	3.4
162.05490	0.6
164.07086	12.6
165.07410	0.5
178.99692	0.4
192.06595	9.4
193.06960	0.8
194.04510	12.3
195.04839	0.7
209.04514	1.0
236.05643	1.3
296.07697	1.6
316.02188	0.6
356.09845	6.1
357.09674	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	356.041
Annotation	Aristolochic acid IVa
Peak:m/z	Relative Intensity
54.35108	1.0
63.02266	4.1
65.00198	7.1
65.99717	1.1
69.26611	1.4
69.26942	10.6
78.02804	0.9
79.71926	1.1
82.54237	1.0
83.01263	3.7
98.19843	2.4
100.82264	1.0
105.03327	3.2
107.01272	10.9
109.02845	3.6
111.68684	1.1
121.02849	3.9
123.00779	1.6
124.01544	2.2
125.02351	5.2
128.03424	1.4
135.00793	2.0
136.01572	2.1
139.00256	3.0
147.00807	1.4
149.02322	5.3
150.02013	1.3
151.00273	27.4
152.01035	3.6
161.02304	1.8
163.00246	2.7
164.01068	11.7
164.98215	1.3
169.01329	4.0
175.00305	3.6
175.03912	1.6
176.03426	2.8
177.01851	19.0
178.99760	23.3
180.00081	1.6
186.01900	2.2
187.03920	1.8
189.01820	2.4
192.00627	1.5
193.01324	2.2
199.03960	1.4
201.01947	1.4
202.01312	1.2
202.99846	5.3
203.03477	3.2
204.02832	1.3
205.01425	1.2
214.02647	1.4
215.03415	1.8
218.02206	1.1
224.03502	1.1
227.03511	3.3
228.03270	1.5
229.05026	3.0
230.00861	12.1
231.03140	1.8
232.03719	2.2
242.02232	1.2
242.04500	1.3
243.02931	4.3
245.00850	2.7
245.04607	1.9
252.02962	2.5
254.04559	1.6
255.02966	2.2
257.04523	5.7
259.02448	2.2
271.02429	8.5
282.04471	1.1
283.02414	2.7
284.05676	1.5
285.04092	6.7
287.02026	4.7
288.02496	2.3
289.03400	6.5
294.04068	2.0
299.02039	1.7
301.03625	2.5
310.03552	2.9
311.01892	5.9
312.02002	2.0
312.05185	2.5
315.01428	2.3
316.02213	100.0
317.02524	8.5
329.03021	15.6
330.03732	1.2
338.02997	10.7
339.03384	1.7
355.99734	2.8
356.04086	51.8
357.04596	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	355.155
Annotation	Juglanin A
Peak:m/z	Relative Intensity
57.03324	3.8
69.03329	1.3
71.28908	0.8
83.04894	6.8
87.47356	0.4
87.92366	0.4
95.04942	0.4
105.37292	0.4
107.04884	0.5
109.02876	1.0
133.02861	0.8
133.06483	0.6
143.04942	1.1
154.07788	7.6
155.08604	4.3
159.04463	0.5
165.67793	0.4
169.06644	0.7
171.04379	0.5
171.43794	0.4
173.24245	0.4
183.08032	0.6
185.05986	0.9
186.06749	2.4
197.09630	1.3
207.11665	0.9
210.06909	0.6
210.10472	1.3
211.07611	3.4
211.11256	0.6
212.04695	0.5
215.00456	0.4
223.07576	1.8
223.11075	0.6
225.12801	26.1
226.13162	2.5
227.07027	0.6
235.11360	0.6
239.10741	1.1
244.03748	0.5
251.10776	0.5
253.12341	4.6
268.07449	1.5
269.08408	0.8
269.11823	3.0
281.11823	9.1
282.12155	0.7
283.09692	2.1
297.11316	28.1
298.08777	0.5
298.11630	3.0
307.09888	0.5
309.11224	1.1
325.10800	100.0
326.11136	11.3
340.13147	41.3
341.13550	4.5
355.15488	98.8
356.15839	12.3
374.47318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01234	1.6
64.81345	1.1
70.59605	1.1
79.25639	1.4
85.02819	2.3
98.20603	2.6
109.02837	2.3
111.00763	2.0
122.03633	7.1
127.07565	1.8
135.04411	23.5
135.05333	2.2
147.08055	2.6
149.09627	5.2
151.07564	2.2
154.02649	1.8
155.10622	1.3
161.09583	8.9
163.07564	2.9
163.11197	47.2
164.08357	14.8
164.11478	2.4
165.09158	8.2
177.09128	56.3
178.09894	17.1
179.10693	71.0
180.11052	3.1
183.10202	2.3
187.11237	1.2
191.10718	11.7
192.11156	1.5
193.08643	8.8
280.14673	2.5
298.15729	47.4
299.16003	5.4
321.18259	1.2
337.21707	43.7
338.22083	4.7
340.20422	77.5
341.20706	10.2
355.22784	100.0
356.22995	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	356.0408
Annotation	7-Hydroxyaristolochic acid
Peak:m/z	Relative Intensity
54.28984	1.1
58.50895	1.1
63.02251	4.4
65.00190	6.1
69.75088	6.2
83.01255	6.1
89.36023	1.1
95.01257	1.5
105.03332	1.4
107.01289	10.0
109.02821	4.3
111.00708	1.4
119.01194	1.1
121.02816	5.2
124.01530	3.1
125.02299	4.2
135.00668	1.5
135.76572	1.3
136.01543	3.2
138.69583	1.1
139.00240	3.1
139.49988	1.2
149.02267	4.5
151.00276	29.6
152.01007	5.2
161.02342	1.4
163.00244	4.6
164.01062	11.2
164.98119	2.2
169.01265	3.1
175.00223	3.1
176.01025	1.3
176.03410	1.5
177.01828	13.4
178.99785	23.4
186.01744	1.6
189.01843	4.0
190.99728	2.2
192.00348	3.3
192.81157	1.2
193.01180	2.1
202.07491	1.1
202.99704	4.1
203.03484	2.6
207.99974	1.8
209.00378	2.7
215.03340	1.9
216.02847	1.8
217.01262	1.5
217.04857	1.5
219.02817	1.4
227.03461	2.5
230.00819	8.3
232.03795	2.1
243.02838	3.9
245.00658	1.9
245.04745	1.3
252.02913	1.8
255.02925	1.4
257.04410	1.4
259.02399	3.2
267.62274	1.3
270.01688	1.4
271.02493	9.7
272.03009	2.0
283.02252	2.1
285.03918	4.9
286.04306	1.4
287.01959	4.5
288.02554	1.9
289.03473	6.0
294.04041	1.9
299.01810	3.4
301.03519	1.9
310.03528	3.1
311.01807	4.2
312.05249	1.6
315.01413	2.8
316.02222	100.0
317.02603	8.8
329.03021	13.7
338.03024	7.6
340.53592	1.3
356.03925	50.0
357.04184	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	355.1548
Annotation	Juglanin A
Peak:m/z	Relative Intensity
56.08941	0.3
57.03326	4.0
59.01252	0.8
59.71227	0.4
61.98691	0.5
63.49583	0.4
63.84869	0.4
69.03329	0.9
69.45992	2.0
69.46404	0.7
80.95235	0.4
81.84713	0.4
83.04893	6.1
90.05154	0.4
97.81294	0.4
107.04948	0.5
109.02843	1.0
119.04881	1.0
128.99370	0.4
129.06963	0.5
133.02782	0.7
139.11230	0.4
143.04927	1.5
145.02875	0.6
147.04398	0.6
151.00262	0.7
154.07765	6.5
155.08577	4.2
159.04474	0.5
161.02348	0.5
183.08026	1.1
185.06024	1.0
186.06828	2.2
187.03926	0.7
193.10483	0.6
197.09631	0.9
203.07109	0.6
207.11766	0.9
209.06139	0.4
210.06787	0.5
210.10471	1.2
211.07620	3.9
211.11130	0.4
212.08240	0.4
223.07585	1.2
223.11317	1.1
225.12798	29.5
226.13086	2.0
227.07047	0.9
231.28833	0.4
235.11282	0.6
239.10767	1.0
251.10664	0.8
253.08742	0.4
253.09560	0.4
253.12270	4.1
254.12671	0.4
263.10541	0.7
265.08572	0.5
267.06479	0.6
268.07397	2.1
269.08167	1.1
269.11813	3.0
271.06204	1.5
272.10870	0.4
279.10226	0.6
281.11798	8.2
282.12076	0.9
283.09689	1.9
297.11316	29.6
298.11639	3.0
307.09610	0.4
309.11356	0.6
311.25989	0.7
323.13055	0.5
325.10791	100.0
326.11148	9.7
339.12393	0.6
340.09818	0.8
340.13126	41.2
341.13425	4.5
355.15485	94.1
356.15820	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	355.1549
Annotation	Juglanin A
Peak:m/z	Relative Intensity
59.01234	1.6
64.15450	0.6
65.48666	0.6
70.77955	1.5
72.16358	0.8
83.04895	1.7
88.67511	0.8
141.07100	0.9
154.50330	0.8
158.03606	2.4
159.04387	2.1
169.10153	1.8
171.04369	0.9
185.06140	1.0
223.07512	0.8
223.11192	1.4
224.08435	0.7
225.12805	32.2
226.13107	3.6
233.09543	1.4
235.07545	1.1
251.10722	4.4
253.12286	2.5
269.11783	4.2
279.10229	1.8
281.08777	1.4
281.11713	6.9
297.11319	20.2
298.11700	1.5
302.71307	0.8
307.09818	1.4
309.11218	1.2
325.10791	100.0
326.11194	10.6
340.13132	30.7
341.13525	3.9
355.15494	84.1
356.15820	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	355.1183
Annotation	8-Epirhynchosperin A
Peak:m/z	Relative Intensity
55.01741	3.8
59.01227	4.1
64.48761	1.1
65.03815	2.6
67.18392	1.4
68.99684	12.4
69.03332	7.3
71.49241	2.3
79.01760	14.5
90.86808	1.2
93.03333	8.3
95.08540	6.9
101.03835	5.7
109.02808	9.7
111.00732	2.1
111.04403	3.3
112.01445	1.2
113.02330	52.1
114.02591	1.9
121.06445	1.6
125.05896	1.7
127.05361	1.3
135.08078	9.9
137.02301	4.0
139.07541	25.8
145.06416	4.0
147.04404	17.0
149.05969	21.9
155.03358	5.5
157.06485	1.4
165.05440	2.0
167.08589	2.3
171.04427	60.4
172.04790	1.8
173.05966	1.8
175.49808	1.2
179.08510	2.9
182.07237	3.0
183.06566	8.7
185.05933	1.3
193.05002	31.2
193.06761	2.1
194.05411	2.0
195.08122	7.9
196.08818	1.8
196.93472	1.4
197.09653	33.2
198.10051	1.9
199.07524	6.2
199.11171	2.5
199.73714	1.4
207.06627	6.6
208.05211	7.7
208.40674	1.4
211.11212	4.2
213.08952	1.6
215.74188	1.3
223.07585	20.4
223.14795	1.9
224.08249	6.4
225.12706	4.1
239.07147	1.6
241.08670	100.0
242.09032	7.6
249.12735	1.8
251.10762	4.7
252.11462	2.1
255.10297	15.0
267.11020	2.8
267.13889	50.1
268.14053	3.8
283.13309	2.7
297.11328	82.1
298.11652	8.4
311.12894	56.0
311.16553	2.9
312.13116	4.4
325.10773	5.7
340.13092	2.9
355.07126	9.0
355.11789	99.7
355.15497	4.4
356.12222	9.0
360.76340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
53.12392	0.9
59.01242	3.0
69.28738	8.9
70.23544	1.0
71.01250	1.5
89.02341	1.2
116.19933	0.8
121.02891	1.0
132.02065	4.4
133.02866	1.4
134.03633	49.3
135.04013	2.2
137.02336	5.9
139.03859	1.4
149.02301	1.3
149.06009	18.2
149.86118	0.9
150.03036	1.3
150.06435	0.9
160.01566	21.7
175.03931	38.0
176.04370	1.3
178.02644	31.0
179.02988	1.7
193.04988	100.0
194.05347	4.2
217.04968	1.9
235.05969	1.2
355.10309	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	355.1035
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
57.67083	0.4
59.01253	6.9
69.28559	3.0
69.28962	0.9
71.01256	3.8
72.99170	0.8
85.02817	0.7
89.02312	3.2
94.59486	0.4
101.02319	2.1
113.02335	1.7
119.03397	0.6
127.46742	0.4
132.02072	10.4
134.03630	7.8
147.04462	0.6
149.05998	1.6
160.01567	60.2
161.01910	2.8
175.03922	100.0
176.04291	5.5
191.06987	2.3
193.04985	15.2
194.05330	0.7
202.02690	0.9
205.19637	0.5
207.06540	0.6
217.04988	5.2
235.06104	2.7
265.07135	0.9
295.08194	2.0
355.06912	0.5
355.10480	4.2
366.79599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
64.55219	0.3
69.99953	1.3
79.95603	0.6
80.94802	0.3
96.95886	3.2
98.20502	0.3
106.54161	0.3
107.04890	0.5
147.08055	0.4
161.05968	0.4
163.11185	93.4
164.11528	5.0
177.09114	67.7
178.09450	4.5
189.02280	0.3
194.05780	0.3
222.08917	0.8
259.46960	0.3
353.21176	100.0
354.21527	15.1
354.26041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60147	1.0
51.71748	0.8
54.31350	1.0
59.01245	4.9
65.00194	0.9
68.44025	0.9
69.24881	9.2
77.03828	2.5
79.01766	9.6
81.55282	0.9
96.95905	1.2
97.02814	4.4
109.02873	1.2
117.03352	1.0
118.07167	1.0
119.83485	1.0
120.81494	0.9
121.02819	9.3
122.03627	1.0
137.02298	1.6
145.06517	2.1
150.03105	2.2
165.01843	10.4
171.04430	3.9
178.02612	3.0
183.08037	5.0
199.07622	1.6
201.09210	1.8
210.01613	1.0
210.97690	1.0
212.66058	1.0
225.09100	6.3
227.07045	4.2
241.08766	2.0
267.05267	1.3
269.08173	100.0
270.08499	8.2
309.06192	3.6
348.13129	1.0
351.07169	6.9
352.07532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1393
Annotation	Licobenzofuran
Peak:m/z	Relative Intensity
59.01249	1.4
67.58636	0.5
79.01742	0.7
93.03309	1.1
95.04917	2.0
109.02857	1.0
119.04914	0.6
121.02839	1.3
122.03619	0.6
123.04388	0.7
131.04921	0.7
133.06416	0.7
135.04417	1.4
137.02328	1.4
142.15750	0.6
143.04967	0.7
145.02863	1.0
145.06506	1.0
149.02385	0.6
150.03157	1.3
151.03979	1.0
158.03586	0.9
159.04422	1.3
163.03857	1.7
164.04689	0.6
165.01881	0.7
167.08560	3.5
171.04401	1.0
173.05995	1.3
175.03870	0.7
177.05536	2.4
180.05753	2.6
182.02177	0.7
183.08080	0.9
189.05424	0.6
191.05511	1.2
191.07120	1.3
193.06662	0.5
195.08084	8.1
196.08440	0.8
200.04697	0.9
208.05241	0.7
210.06755	0.8
210.67404	0.6
211.07579	0.7
217.04942	1.3
218.05763	0.7
223.07600	2.4
223.11226	40.6
224.11630	3.2
225.09108	1.6
231.06584	2.0
232.07281	0.8
235.07564	0.9
236.08360	1.3
238.06281	1.0
239.10750	1.9
249.05530	1.0
249.09125	2.2
250.06415	0.8
251.07150	1.5
251.10800	3.1
252.07780	0.9
263.07086	2.1
263.10544	0.6
264.07834	1.9
266.13245	0.6
267.06519	0.9
267.10272	5.0
269.08157	8.5
271.08664	0.6
271.72156	0.6
279.07401	0.7
279.10245	5.7
280.10635	0.7
282.08826	0.8
292.11130	0.6
295.09747	21.5
296.10202	1.7
306.08853	0.8
307.09610	2.0
308.10416	0.7
309.11316	1.6
320.10486	3.0
321.11136	0.9
323.09244	65.1
324.09647	5.5
337.10715	1.7
338.11594	33.7
339.11966	2.4
353.13940	100.0
354.14328	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.9
67.01766	1.4
68.99679	0.4
69.03312	1.3
70.00043	0.3
71.01251	0.8
71.45144	0.4
74.79431	0.3
77.03829	2.5
77.91710	0.3
79.01746	1.7
83.01259	2.8
93.03329	4.1
95.01257	3.2
96.95889	0.3
97.02824	14.4
98.03140	0.3
101.02348	0.3
109.02851	2.4
111.00684	0.4
111.50578	0.2
121.02841	14.1
122.03178	0.5
123.00764	14.1
124.01096	0.5
125.02332	1.0
137.02338	46.2
138.02643	1.5
139.00250	1.9
139.03938	0.5
141.01816	1.9
151.00270	10.8
152.00531	0.4
161.04498	0.3
163.00290	0.5
164.01024	0.8
165.01837	100.0
166.02168	4.0
172.21509	0.3
197.04480	46.9
198.04799	1.6
209.00845	0.9
223.02502	0.4
273.03922	0.3
317.02979	4.4
318.03580	0.3
349.05652	12.4
350.05859	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	351.0179
Annotation	5,7,4'-Trihydroxyflavanone 7-sulfate
Peak:m/z	Relative Intensity
59.01251	2.8
67.18018	0.7
69.44790	5.6
93.03325	1.3
117.03320	0.8
143.04932	3.4
145.02917	0.8
157.06418	1.2
159.08008	1.5
181.06491	3.0
183.04349	1.2
183.08038	3.3
185.05980	7.9
197.05981	1.5
208.05267	1.9
209.06035	9.7
211.03929	2.0
212.04697	0.9
225.05484	6.7
227.07086	37.0
228.07373	2.4
252.04350	0.9
253.03038	1.8
253.05037	83.4
254.05414	6.6
271.06107	100.0
272.06448	5.6
351.01776	32.3
351.08606	1.5
352.02136	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	349.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12642	3.3
63.02264	5.4
65.00182	13.6
68.99673	5.1
69.03299	3.8
71.50561	5.5
81.03304	5.6
83.01245	16.3
95.01261	19.3
97.02803	7.0
99.00738	14.4
101.48269	4.2
107.01257	19.7
109.02829	10.4
111.00779	35.4
123.00761	48.4
125.01465	5.4
125.02332	86.8
131.38130	4.5
133.02850	4.4
135.00728	5.7
136.98692	11.1
137.02335	9.9
139.00259	59.3
140.00943	11.0
141.01825	25.5
145.02789	4.3
149.02356	26.2
151.00269	68.7
153.01820	34.5
163.00272	19.5
164.98199	6.1
165.01854	4.1
165.98970	5.6
166.99774	61.9
168.00554	53.0
169.01299	24.0
175.03897	5.3
177.01851	7.8
178.99763	87.3
181.01456	5.4
185.00827	4.7
187.03822	5.3
189.01758	4.3
190.99751	7.5
193.01317	15.5
194.99258	43.6
196.46349	4.1
197.00851	20.4
203.03468	6.4
205.01378	7.0
206.99298	63.4
209.00922	18.1
219.02881	10.4
221.00935	5.0
222.98784	100.0
223.99559	24.7
231.02876	11.1
235.02303	4.8
243.02809	8.0
245.00842	7.3
247.02547	4.6
259.02515	8.3
287.01694	11.6
303.01346	10.6
305.02975	6.8
321.02277	4.7
331.00922	30.4
349.01776	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40369	4.5
63.02260	9.4
65.00201	15.8
69.03316	6.9
69.66198	17.1
69.66625	15.5
74.13127	4.7
81.84438	5.1
83.01251	20.8
85.02805	6.2
95.01257	22.2
97.02831	6.6
99.00761	26.8
104.49046	5.0
107.01305	24.7
109.02840	11.1
111.00753	36.0
123.00750	72.7
125.01455	7.3
125.02326	87.9
126.02661	5.4
135.00757	6.8
136.98692	13.7
137.02354	7.9
139.00272	65.4
140.01062	8.3
141.01839	23.1
149.02338	24.7
151.00264	89.2
153.01816	35.3
154.99750	10.1
159.04393	9.9
161.02254	5.7
163.00275	18.2
165.01761	6.9
165.98959	9.6
166.99762	74.8
168.00534	52.4
169.01382	26.3
169.02625	5.6
173.02333	6.5
175.03868	9.2
177.01785	7.6
178.99760	100.0
180.00244	7.9
181.01350	4.9
187.03915	8.6
190.99831	9.7
191.03442	7.8
193.01317	19.3
194.99274	48.8
197.00824	17.5
203.03484	7.3
204.97639	6.3
205.01328	10.7
206.99261	65.6
207.99704	6.5
209.00813	16.7
213.01874	5.4
215.03485	7.0
217.01357	8.5
219.02876	10.0
222.98796	86.5
223.99457	22.7
225.00311	5.5
229.01346	7.0
231.02960	11.0
235.02406	5.9
243.02946	7.5
245.00941	7.3
257.00729	5.1
259.02463	15.4
275.01947	8.0
287.01956	19.0
303.01370	18.7
312.99716	7.4
331.00937	47.2
349.01886	37.6
353.78699	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	347.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.8
58.14272	2.7
59.01239	5.8
60.91571	2.9
67.01753	6.9
69.69026	19.9
71.01235	3.8
83.01258	11.5
95.01276	4.6
111.00753	39.4
123.00760	18.1
139.00262	49.2
141.01852	4.0
166.99770	100.0
168.00124	6.8
185.00790	21.1
259.57266	3.1
294.55029	2.9
347.06107	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	347.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
59.02597	1.9
67.97856	1.7
70.78988	4.0
121.93128	1.9
213.14842	4.0
255.00117	1.7
261.75681	2.1
347.18521	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	346.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33926	22.9
61.98687	46.5
69.97387	100.0
69.97796	47.8
148.01514	37.8
225.79190	25.5
239.61514	30.3
270.15741	63.4
314.14526	39.9
320.97043	26.0
360.59921	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88634	3.9
59.01262	8.6
63.02261	10.5
65.00198	24.2
67.01778	7.9
69.21804	43.6
71.00622	4.2
83.01260	7.9
95.01245	29.1
96.31628	4.4
96.99194	6.1
99.00761	9.3
103.05462	5.2
107.01279	13.0
109.02888	6.9
110.00004	13.7
111.00780	39.3
114.35530	4.3
119.04929	6.1
121.02840	4.5
123.00770	48.5
124.98714	8.9
125.02342	14.8
127.00220	6.5
133.02856	9.5
135.00748	6.4
136.98712	11.8
137.02354	4.8
137.99495	11.6
139.00266	79.1
145.02878	6.9
147.04387	8.7
149.02328	5.9
151.00270	60.8
153.01859	9.6
154.99796	10.8
159.04425	6.1
161.02420	7.2
163.00233	9.3
164.98212	16.4
165.98962	26.4
166.99767	63.1
168.00443	8.3
169.01308	11.6
173.02374	9.6
175.03932	12.3
177.01888	15.8
178.99786	81.8
180.00401	10.5
180.40800	4.7
185.02351	6.1
189.01849	10.5
190.99770	8.3
191.03369	10.8
193.01314	6.0
193.98509	10.4
194.99289	54.9
201.01923	13.3
203.03445	12.1
205.01299	15.4
206.99275	100.0
207.99863	5.7
209.00702	6.0
213.01851	9.9
217.01392	13.6
219.02983	14.2
229.01346	38.0
231.02901	12.1
233.00894	10.4
235.02527	5.5
244.06705	4.7
245.00818	8.7
247.02428	17.2
248.02866	4.8
257.00845	15.7
261.00345	15.7
273.00333	12.5
275.02014	35.2
285.00455	22.4
291.01608	4.6
300.99857	14.0
303.01392	17.1
319.00760	7.9
326.57153	4.5
328.99365	11.4
329.02994	5.1
347.00488	31.7
348.00958	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	345.1707
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
57.03313	1.2
59.01236	0.9
61.54697	0.3
65.68004	0.4
66.40622	0.3
69.21791	3.7
71.01246	0.4
72.85783	0.3
74.98949	0.4
77.27753	0.4
93.03339	1.8
98.20573	0.8
106.04104	0.4
108.02054	1.6
109.02841	6.8
111.00786	0.6
111.04399	1.7
112.45105	0.4
119.04922	4.0
120.99566	3.5
121.02843	9.6
121.06425	0.6
122.03654	5.9
123.04406	1.8
124.01550	1.4
125.02345	0.4
126.34762	0.4
134.03616	0.4
135.04417	30.1
136.04774	1.1
137.02353	1.5
137.05992	4.1
145.06508	1.9
146.03696	0.3
147.04440	2.2
147.08104	1.5
149.05992	2.8
151.03940	1.2
154.02594	1.1
161.05994	1.0
162.06802	1.7
163.03926	0.8
163.07579	5.7
164.04683	1.1
165.05502	4.9
171.04420	0.6
173.05969	1.0
177.09145	0.7
179.07109	2.0
192.04236	1.5
207.06598	0.6
209.08157	0.6
213.15758	0.5
239.09109	0.5
243.06638	3.7
313.59497	0.4
327.12387	0.6
327.15884	0.5
330.14792	1.4
345.17065	100.0
346.17395	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	345.1705
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
59.01246	2.6
71.11228	0.3
75.42130	0.3
86.51703	0.3
93.03362	0.3
98.20563	1.1
99.89720	0.3
108.02086	0.8
109.02843	0.6
113.05979	0.4
119.04869	0.5
121.02859	1.9
122.03613	4.0
123.04397	0.7
124.01531	0.5
134.03632	1.1
135.04420	100.0
136.01540	0.4
136.04750	4.5
137.02342	1.0
137.05972	1.3
141.05479	2.0
151.03934	0.5
154.02669	0.7
161.05937	0.3
165.05455	1.5
192.07846	0.4
193.08649	2.6
203.03394	1.3
206.09410	0.4
207.10202	2.1
215.03403	0.7
259.02466	2.5
287.01913	3.9
313.14526	0.7
315.01459	7.9
316.01813	1.1
330.03815	7.2
330.14850	2.4
331.04077	1.2
345.06036	6.0
345.09891	4.9
345.17047	63.7
345.26111	1.3
346.06445	0.8
346.17371	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	345.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28680	1.8
53.26785	1.7
55.01754	2.6
58.90385	1.8
59.01245	3.9
60.29125	1.7
69.85384	1.8
72.16787	1.8
87.00752	3.3
91.20100	1.8
96.84779	2.0
98.20599	4.6
101.05971	3.2
115.05399	6.3
119.04897	3.0
122.03607	5.5
123.04363	3.4
124.01565	9.8
125.02318	3.6
127.03867	2.1
131.04909	26.1
133.06487	6.0
135.04434	3.8
137.05939	14.4
138.03142	2.9
139.03877	24.5
143.04921	5.6
147.04420	8.2
150.06737	2.9
153.05472	52.4
154.05809	2.3
155.08572	7.1
156.05699	2.1
161.05975	38.0
162.06178	1.9
163.03882	2.3
165.05470	23.0
167.03406	63.7
168.04050	6.6
171.08075	6.6
173.05995	2.9
178.06297	3.0
181.05040	2.3
182.05754	100.0
183.06534	12.3
184.05200	2.8
187.03900	4.8
187.07538	3.0
197.08105	15.2
199.07565	20.6
201.05528	2.4
210.34958	1.9
215.07077	16.2
225.12758	7.0
226.09894	2.7
241.12280	21.2
242.12413	2.2
243.06583	67.1
243.08997	4.1
244.06902	6.6
254.09422	7.1
257.08163	8.9
269.11798	80.3
270.12143	5.8
308.92441	2.3
313.10822	65.8
314.11255	6.2
330.10431	2.0
345.13211	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	345.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
57.03315	0.9
59.01250	22.3
68.99706	1.3
69.16761	6.6
69.17170	2.1
70.76904	0.7
76.64521	0.8
83.01247	2.6
84.32858	1.0
85.06449	2.8
87.04398	1.2
95.01257	1.5
95.04897	1.4
97.06446	4.1
108.02058	1.8
109.06443	1.1
111.00777	7.6
111.04406	2.2
113.05968	15.2
114.06314	1.2
114.44453	0.9
117.03345	1.9
121.52729	0.9
122.03578	1.1
123.04403	2.0
124.01517	1.9
131.04932	1.8
137.02341	1.5
137.05981	3.9
139.00272	9.5
139.03917	6.1
141.05470	32.7
142.05788	1.3
145.06528	5.1
147.04381	3.4
151.00243	1.2
151.03931	0.9
154.02789	0.9
156.05659	2.3
157.06499	7.3
162.20453	0.8
165.05457	2.0
166.06396	1.1
167.03395	4.1
171.04440	12.2
172.05107	2.1
173.05988	19.3
181.04977	18.7
181.06549	1.7
182.05405	0.9
183.04381	1.9
183.06544	1.5
184.03664	1.2
184.05222	2.4
191.03452	4.4
194.05696	1.3
198.06645	1.3
199.07555	2.9
199.11180	2.0
200.04814	1.1
201.05504	1.3
203.07082	9.6
206.05748	2.4
209.09677	1.6
210.06889	1.1
211.07565	1.1
215.07076	1.7
225.09171	2.2
225.12677	1.6
226.06256	3.1
226.09789	1.4
227.10689	6.6
239.07031	1.1
239.10696	1.0
241.12227	1.8
243.06587	3.7
244.07220	1.0
251.10735	3.6
252.08022	0.9
253.08759	7.0
254.09373	5.1
255.10159	3.3
267.10236	2.1
269.11819	11.3
270.08911	4.0
270.11932	1.2
271.09747	65.9
272.10092	5.2
274.04666	0.9
275.09244	1.4
285.11438	1.5
295.09915	1.7
296.09961	1.3
301.14426	0.9
303.12387	10.8
304.12573	1.4
313.07117	2.0
313.10815	53.2
314.11163	5.1
345.13400	100.0
346.13794	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	345.0826
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01754	1.3
59.87919	0.4
62.27204	0.4
70.50117	1.3
71.01266	0.7
71.04891	7.9
83.01268	2.0
95.04904	2.5
97.02830	13.1
139.03912	100.0
140.04237	3.8
163.03918	3.5
181.05006	0.4
183.02939	1.3
207.03174	0.5
209.48666	0.5
227.45152	0.5
345.08310	7.6
346.08612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.134
Annotation	Magnolianone
Peak:m/z	Relative Intensity
50.79156	0.9
51.00198	0.9
54.67036	0.9
59.01246	22.2
62.03707	0.8
68.99683	1.0
71.13190	1.8
83.01259	1.9
85.06461	2.5
95.01246	1.6
95.04892	2.1
97.06450	3.4
101.03871	1.1
108.02048	2.9
109.06502	1.3
111.00778	4.8
111.04391	1.8
113.05968	13.3
117.03368	1.9
117.06952	1.1
122.03635	1.5
123.04426	2.0
124.01534	1.1
124.05249	1.0
131.04858	1.0
137.02386	1.7
137.05965	2.7
139.00229	7.9
139.03879	6.8
141.05467	35.0
145.06505	5.5
147.04417	2.2
151.07545	1.0
156.05676	2.4
157.06476	7.1
165.05461	1.7
166.06218	1.8
167.03369	4.3
171.04425	11.2
172.05057	1.5
173.05988	20.0
179.07106	1.4
181.04977	18.8
183.06583	2.2
184.05180	1.7
185.06044	1.8
191.03389	5.0
194.05786	1.6
199.07512	2.7
199.11130	1.0
201.05507	0.9
203.07066	11.1
206.05815	2.3
209.09702	1.3
215.07022	1.7
216.91185	1.1
225.09099	2.5
225.12775	1.7
226.06322	3.0
226.09692	1.8
227.10675	6.0
235.07539	1.1
236.08533	1.4
238.78810	0.9
239.07088	1.3
241.12187	1.6
243.06470	2.8
251.10774	2.8
253.08662	6.2
254.09460	6.8
255.10074	2.7
267.10159	4.5
269.11819	12.5
270.08954	3.7
270.12186	1.1
271.09744	66.9
272.10068	5.7
275.09351	1.3
285.11469	1.0
295.09665	2.1
301.14508	1.9
303.12317	11.3
307.17844	1.1
313.10800	56.3
314.11160	7.4
345.13391	100.0
346.13733	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	343.1185
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
53.78690	0.7
57.03332	1.2
57.56689	0.8
59.01250	6.0
68.99685	11.9
71.01261	1.2
71.04161	1.6
71.04495	1.1
71.04908	2.6
75.00757	3.2
85.06476	3.4
87.00761	1.6
87.04395	3.6
90.85004	0.7
101.02341	1.1
101.03848	4.3
105.20814	0.7
113.05970	100.0
114.06329	2.4
127.05518	0.8
134.60799	0.7
136.05139	0.9
137.05972	1.3
139.03894	1.0
147.04417	14.2
147.05469	1.3
169.56807	0.9
171.04428	72.2
172.04759	2.6
195.06531	0.9
197.09705	3.6
201.43983	0.8
203.07095	2.6
215.10732	1.1
223.11263	2.3
239.10683	1.7
240.11559	9.0
241.08711	7.6
255.13860	3.4
267.10233	19.0
268.10654	1.7
270.01538	0.9
285.03943	1.3
313.03439	3.3
328.05820	1.7
343.08157	5.5
343.11795	44.2
343.28516	5.4
344.12015	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	345.0614
Annotation	Myricetin 3',4'-dimethyl ether
Peak:m/z	Relative Intensity
50.04555	0.4
56.46928	0.4
59.01241	0.7
63.02275	0.5
70.40871	0.5
70.41193	1.0
77.57042	0.4
79.08459	0.5
83.01247	0.8
83.86869	0.4
85.25950	0.4
102.04546	0.5
107.01255	1.0
151.00293	2.4
159.04446	1.3
163.00279	1.3
164.00964	0.5
165.01668	0.4
171.04428	0.7
175.03862	0.8
187.03920	2.6
203.03424	12.3
204.03786	0.5
215.03401	3.8
217.01358	0.7
231.02931	5.3
241.01233	0.6
242.02046	0.5
243.02907	2.6
259.02463	21.6
260.02823	1.7
270.09024	0.4
271.02383	2.9
287.01959	31.0
288.02338	3.1
299.01807	0.6
301.03653	1.4
313.03204	0.6
315.01453	67.9
316.01825	5.9
316.77502	0.5
329.02988	1.9
330.03799	33.2
330.13885	1.4
331.04196	2.9
344.15732	0.6
345.06125	100.0
345.15005	2.2
346.06506	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
54.41615	0.4
54.89806	0.3
59.01249	4.9
59.20549	0.3
65.03823	0.8
70.51959	0.8
70.52316	0.6
71.01251	4.9
73.02801	0.6
79.75939	0.4
83.01244	0.3
85.02814	1.2
87.00656	0.4
89.02318	3.9
91.05401	9.5
93.03350	2.4
101.02305	2.9
107.04903	4.2
113.02322	2.1
119.03366	1.3
119.04884	0.7
133.02789	0.5
133.48232	0.3
134.03632	2.1
135.04408	100.0
136.04730	4.1
149.06004	0.4
151.03891	0.5
161.02333	0.6
161.04471	0.7
179.03412	28.5
179.05356	1.2
180.03751	1.2
191.51059	0.3
235.44054	0.4
341.08423	7.1
342.09018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82293	0.4
59.01250	46.3
70.74914	1.3
71.17776	0.4
131.47852	0.5
149.58986	0.5
157.03459	2.6
159.01370	2.5
199.45424	0.6
201.02486	100.0
202.02660	7.6
244.75371	0.5
255.59802	0.5
262.50665	0.6
267.56238	0.5
270.79788	0.5
343.03766	2.0
344.04062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05954	0.9
59.01252	6.3
71.01255	2.5
71.49204	0.8
71.49686	1.9
93.64503	1.0
95.01249	0.9
101.02281	1.1
113.02342	1.1
121.02868	1.9
130.00502	1.1
153.05466	6.9
165.01962	1.2
197.99532	1.3
208.18440	1.0
241.98546	1.1
254.99268	2.0
257.00916	2.7
269.98032	36.2
270.98325	3.0
275.35565	1.1
283.99619	1.1
285.00427	15.3
286.00848	1.2
291.37912	0.8
297.00168	0.9
297.97543	65.9
298.97971	5.0
312.99899	100.0
313.03082	4.2
314.00235	6.5
325.85623	1.1
328.02222	88.6
329.02637	8.0
343.04575	52.5
343.08084	2.8
343.15244	1.1
343.21097	1.7
343.24756	1.2
344.04956	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	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
51.00995	1.1
59.01253	16.3
63.99216	1.2
64.08679	1.2
69.33434	11.2
71.01244	10.9
81.63713	1.2
82.94717	1.1
83.01268	1.5
85.02796	2.2
89.02310	12.5
91.05417	3.7
98.19792	1.8
101.02315	7.8
107.04910	2.3
113.02319	5.6
119.03376	4.4
134.03627	1.9
135.04405	100.0
136.04735	3.3
161.04398	2.9
179.03409	88.3
180.03751	2.5
281.75137	1.3
310.67368	1.2
341.08838	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	337.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28209	3.2
59.01241	12.1
60.81527	3.8
68.99673	4.2
69.03323	10.0
71.28492	7.5
80.55048	3.4
81.03329	11.1
83.01275	7.2
85.02812	22.9
93.03337	5.0
95.01276	7.8
97.02852	10.5
99.00740	8.0
106.68919	3.9
109.02828	27.4
111.00758	40.9
119.04914	30.8
121.02786	5.0
123.00745	9.3
124.01540	4.6
125.02332	69.6
126.02660	4.0
127.00245	11.5
137.02322	31.5
138.03101	3.6
139.00267	32.3
139.03889	14.9
140.01122	7.9
141.01834	35.1
149.02342	9.3
151.03926	6.4
153.01830	100.0
154.99757	28.9
155.03427	8.1
159.04500	3.7
160.60417	3.6
161.02362	4.4
161.27824	3.9
163.03925	46.8
164.00980	6.1
165.01860	46.4
166.02609	7.5
167.03406	14.3
177.01836	35.9
181.01332	8.6
183.02872	10.6
191.03647	21.7
191.05354	23.9
193.01324	17.1
195.03001	5.9
197.04456	6.6
201.01884	4.3
205.05028	8.4
207.02922	3.7
215.03360	6.5
217.01384	9.3
219.02773	4.3
221.04558	4.4
233.04483	13.6
247.06081	4.8
257.04425	5.5
275.05664	8.6
301.03485	7.6
319.04486	22.1
337.05576	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
54.79982	0.5
55.91618	0.4
57.03312	0.6
59.01247	3.5
63.97070	0.5
65.46460	0.4
67.01746	0.6
67.15677	0.5
67.78343	0.5
69.03320	0.6
69.30451	4.6
70.69733	0.5
71.01236	1.7
81.03300	0.6
85.02823	7.8
87.00756	2.7
93.03331	5.2
98.19821	1.0
109.02832	0.7
111.04380	1.3
113.02354	0.6
119.04915	2.1
125.02323	1.3
127.03903	2.2
145.02852	0.9
146.96034	0.5
163.03906	2.2
173.04468	1.9
191.05530	100.0
192.05887	3.4
236.84450	0.4
240.81300	0.5
244.35443	0.5
266.32898	0.5
337.09305	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
71.25513	0.3
81.93278	0.2
83.88911	0.2
94.96133	0.2
147.08182	0.3
163.11189	100.0
164.11510	4.7
183.01178	0.5
201.01143	0.2
245.69183	0.2
320.35672	0.3
328.79797	0.2
339.20090	1.5
339.23270	33.8
340.23621	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	335.0772
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
56.53136	0.4
59.01239	1.0
67.27798	0.5
69.52314	4.0
69.96297	0.6
71.01219	0.5
73.02806	1.7
81.03343	1.0
83.04883	2.4
93.03333	11.8
99.00742	1.0
107.04893	1.4
107.17744	0.5
109.02874	0.6
111.04397	3.1
112.30062	0.5
117.03298	0.6
125.02358	1.6
133.02841	9.0
134.03638	5.6
135.04408	100.0
136.04758	4.5
137.02309	5.2
155.03430	2.0
157.66525	0.5
161.02344	23.2
162.02710	1.0
166.99736	0.6
173.04500	2.1
177.21002	0.5
179.03410	81.3
180.03760	4.4
181.46545	0.7
193.01321	1.0
291.08542	0.6
335.07745	19.5
336.08215	1.9
347.39523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0774
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01273	1.1
61.98702	2.0
65.00198	0.7
70.23856	2.3
71.01270	1.0
73.02849	1.7
81.03337	0.9
83.01266	0.9
83.04919	1.3
85.02823	0.8
92.11553	0.8
93.03325	11.0
95.48322	0.7
98.20560	0.8
106.04094	0.7
107.01275	1.4
109.02836	1.3
111.04411	4.7
117.03393	0.8
125.02329	1.8
133.02853	7.3
134.03659	4.6
135.04411	100.0
136.04733	5.2
137.02353	6.5
151.00253	3.6
155.03419	2.6
158.58798	0.8
161.02345	22.9
162.02652	1.0
169.01367	1.5
173.04457	1.5
178.99957	6.1
179.03415	88.5
180.03725	4.0
193.90149	0.7
199.02394	1.5
273.03986	0.9
273.78085	0.8
335.07715	28.3
336.08102	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10462	0.4
58.44571	0.5
59.01242	1.2
63.02274	5.6
69.13904	2.8
69.14344	2.9
84.75572	0.5
91.01765	46.8
92.02094	1.5
96.95896	3.7
98.19936	2.1
113.41960	0.5
122.03598	1.4
148.01611	2.4
163.00258	0.9
169.06500	23.0
170.06793	1.3
171.08086	0.5
175.94194	0.5
195.08078	7.6
211.07535	1.0
213.09157	6.1
237.42665	0.5
239.07092	100.0
240.07391	8.5
257.08163	36.7
258.08484	2.5
279.57217	0.6
319.02789	59.7
320.03098	4.6
337.03870	14.0
338.04053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
62.07556	0.4
64.39896	0.4
69.97094	1.9
71.01252	0.5
83.01286	0.4
96.95875	1.7
98.19957	0.6
107.04807	0.5
122.03716	0.5
134.01125	0.4
134.03539	0.5
135.04390	6.4
138.03127	1.2
138.26483	0.4
148.01561	4.9
149.02289	0.5
155.41022	0.4
157.06512	1.1
159.04396	1.0
160.05164	0.4
161.02293	0.7
162.03125	6.5
163.03523	0.7
165.01820	1.9
173.05902	0.4
175.07487	0.9
186.03159	1.0
189.05493	1.0
193.43837	0.4
199.07564	0.5
200.08238	0.7
201.05513	9.4
202.06273	13.2
203.06731	0.8
214.09740	0.5
225.79755	0.4
228.07361	0.6
242.09129	0.5
243.10130	0.7
258.12558	7.0
258.15088	0.9
273.14951	7.6
274.15298	0.6
283.13461	0.9
284.13635	0.9
285.11298	0.8
289.14474	0.8
300.13318	0.5
301.14413	100.0
302.14777	8.9
302.18121	0.3
315.12408	0.6
333.13406	1.7
333.17056	2.7
333.20428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12228	0.4
69.75280	1.4
69.75688	1.4
71.01249	0.6
83.04871	0.7
85.06455	0.5
85.16570	0.5
96.95879	1.4
107.04863	0.5
122.03627	1.5
123.04478	0.8
126.73764	0.5
128.15944	0.5
134.03708	0.8
135.04424	4.4
138.03101	0.8
148.01569	3.7
151.00378	0.5
157.06438	0.6
159.04471	0.9
162.03151	11.3
165.01839	1.2
169.42909	0.6
172.05234	0.7
173.05905	0.6
174.06714	0.5
177.09329	0.5
185.09634	1.3
187.07614	1.1
188.08366	2.2
199.03822	0.7
201.05493	3.6
202.06270	4.5
202.09956	1.7
203.10690	6.8
204.11113	0.6
215.07077	5.6
216.07507	2.1
217.08629	0.8
229.08658	1.5
230.08960	0.9
231.10207	0.8
255.13979	1.4
258.12640	1.7
273.14816	0.7
299.07971	0.5
301.14432	100.0
302.14767	10.4
333.16800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42749	1.4
53.04797	1.4
55.01745	2.0
59.01240	1.8
66.05304	1.5
69.71272	8.5
71.04894	8.0
76.08849	1.5
85.55447	1.5
93.03372	1.3
95.04901	16.1
97.02824	25.6
100.09612	1.4
115.03872	3.8
125.02311	6.1
135.43777	1.4
139.02847	2.8
139.03908	51.2
140.04233	2.0
146.73485	1.6
165.01822	3.9
169.01375	13.4
169.77274	1.4
183.02905	100.0
184.03154	4.3
205.22018	1.5
210.61479	1.4
251.13200	1.4
312.00778	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	333.1707
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
54.90445	1.1
59.01225	1.3
61.32095	1.1
79.01762	27.7
80.02144	1.2
109.02816	1.9
122.03625	3.4
140.65334	1.2
148.29567	1.1
149.02359	4.0
150.03130	31.0
151.03381	1.3
152.04703	4.3
177.01862	1.8
178.02643	100.0
179.03033	4.9
196.03716	24.8
203.17967	1.1
231.13800	1.5
271.17023	8.9
315.15988	85.6
316.16333	9.3
333.17065	55.5
333.21127	2.4
334.17407	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	333.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83577	0.3
75.66502	0.3
91.05402	8.1
93.03321	4.2
95.04943	0.6
104.02583	0.3
106.99770	0.4
107.04929	1.9
108.02071	1.0
109.02850	2.0
119.04914	15.1
121.02844	4.4
122.03625	0.6
123.04400	1.1
125.02349	0.4
133.02760	0.4
135.04401	11.7
135.95560	0.5
136.01555	0.6
137.05997	1.1
138.03149	1.6
148.01588	1.4
149.02342	2.9
161.02342	0.6
162.03130	6.7
163.03911	100.0
164.01109	0.4
164.04233	4.3
165.01836	1.5
166.02469	0.4
177.01875	3.0
178.02608	0.6
183.87993	0.4
187.07623	0.5
193.01355	0.5
194.05225	0.4
195.02899	1.1
213.05553	1.5
231.04234	0.3
231.06548	1.0
232.06880	1.3
283.13568	1.0
301.14426	67.7
302.14743	6.2
333.16895	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	333.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22778	0.6
55.10939	0.5
59.01247	0.9
73.38882	0.5
83.04910	1.2
86.66237	0.5
96.95875	2.1
109.02850	0.6
116.85667	0.6
121.02863	0.8
122.03625	1.4
123.04439	1.1
134.03621	1.1
135.04427	3.9
136.01523	0.6
136.05132	0.6
137.02328	0.6
148.01599	4.0
149.02242	0.9
159.04430	1.0
162.01767	0.8
162.03128	12.1
163.03603	0.5
165.01839	1.5
170.07253	0.7
171.08058	0.8
172.05103	0.7
173.06018	1.2
175.07500	0.7
185.09726	0.5
187.07561	1.1
188.04677	0.8
188.08376	1.9
201.05496	4.8
201.09317	0.7
202.06335	5.4
202.09822	2.6
203.10704	8.7
204.11093	0.5
215.07091	6.3
216.07507	2.6
217.08466	0.7
229.08728	2.1
230.09029	0.7
231.10219	1.1
255.13844	0.9
258.12561	2.1
301.14432	100.0
302.14752	10.1
302.17853	1.0
333.13370	1.1
333.16885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0616
Annotation	Cedrin
Peak:m/z	Relative Intensity
61.14647	0.2
67.01754	0.5
69.03323	0.8
69.16586	0.5
69.17001	1.6
70.18359	0.2
71.01194	0.3
72.28574	0.2
77.03837	2.0
79.01753	0.3
80.70089	0.2
83.01248	1.8
93.03333	2.6
95.01266	1.9
97.02185	0.5
97.02824	10.5
98.03173	0.4
109.02842	2.3
121.02843	10.2
123.00766	0.8
125.02328	0.5
135.00845	0.3
137.02344	34.9
138.02657	1.0
139.00290	0.3
139.03871	0.3
141.01854	0.4
151.00294	0.3
159.40891	0.2
163.00266	0.9
164.01031	0.5
165.01840	100.0
166.02185	4.2
181.01347	0.3
197.04486	38.6
198.04797	1.8
208.00037	0.3
209.00906	1.3
223.02466	0.4
225.36595	0.2
257.04578	0.6
265.62909	0.2
301.03546	6.7
302.03857	0.4
308.05801	0.2
333.02490	0.4
333.06140	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	333.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44035	6.5
57.03324	12.1
65.00185	20.1
70.78157	13.7
81.03355	11.3
81.07456	6.5
83.01266	20.1
93.03340	28.6
93.12422	7.6
107.01313	35.5
107.01895	6.4
109.02823	39.9
124.01626	8.9
125.02339	100.0
131.04935	17.2
135.04437	10.4
137.02348	95.8
147.04428	14.5
149.02394	7.1
151.00279	65.1
151.03970	20.2
152.01109	36.4
159.04501	10.2
161.02306	11.6
174.03145	9.1
175.03889	19.7
177.01775	8.3
178.99837	37.7
179.03409	13.5
189.05466	8.9
193.05035	27.0
199.03963	8.8
203.03487	17.6
205.01382	8.1
216.04239	16.4
217.05040	42.0
221.04591	45.7
222.91861	7.6
227.03564	17.8
245.04559	91.9
247.02470	67.1
265.84439	7.1
268.31451	7.8
289.03583	61.2
290.03802	8.0
333.19061	8.7
350.83081	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	333.0251
Annotation	Hibiscetin
Peak:m/z	Relative Intensity
63.02259	5.5
69.25515	46.4
82.89768	4.7
83.01260	13.6
95.01291	5.9
96.29066	5.1
107.01250	17.2
107.96230	6.3
109.02808	9.6
111.00773	9.3
123.00723	8.1
124.01606	6.9
125.02325	88.0
128.04814	5.0
136.38206	4.8
137.02324	16.7
139.00276	19.5
149.02405	7.2
151.00272	49.9
152.01050	17.7
153.01807	22.0
163.00252	18.2
165.01802	8.8
166.99759	11.4
169.01346	36.2
178.99774	57.7
179.33865	4.6
199.03963	7.0
203.03386	7.6
206.99298	100.0
207.99997	25.0
215.03462	6.4
243.02699	7.4
271.02499	9.0
287.01913	5.7
289.03470	11.9
315.01465	20.6
333.02383	59.2
342.28394	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08632	1.1
61.35367	1.0
61.70561	1.2
61.98697	1.4
63.02278	2.4
63.45507	1.1
65.00198	7.4
71.13292	3.1
75.59934	1.3
81.03336	2.3
83.01263	5.7
84.98121	1.3
85.41598	1.4
96.95874	2.1
107.01276	13.3
107.04900	1.8
109.02829	9.0
124.01494	2.0
125.02323	12.5
129.07024	1.3
130.04103	3.1
131.04924	5.1
133.02859	1.4
137.02356	2.6
139.00237	1.5
145.06499	2.5
147.04404	3.2
149.02367	1.9
151.00275	40.4
152.01080	9.9
153.01765	2.1
155.04875	1.4
157.06494	2.2
158.03603	2.1
159.04424	6.0
161.02258	1.3
163.00279	1.7
165.01849	3.7
167.03438	2.1
169.01303	1.5
173.06003	9.3
174.03096	1.7
175.03941	3.8
177.01825	1.7
177.05495	2.3
178.99802	15.7
189.05478	3.0
190.02547	1.4
190.99803	2.2
191.03426	16.0
192.00552	3.4
193.01338	3.3
199.03867	2.7
201.05534	3.6
202.02599	5.1
203.03430	20.4
206.99326	2.4
209.92670	1.2
217.05008	36.0
218.05309	2.4
219.02972	5.7
223.70567	1.4
227.03444	3.4
245.04521	60.8
246.01625	2.6
246.04799	4.6
247.02431	73.4
248.02730	5.4
261.04028	2.9
289.03519	100.0
290.03879	6.9
318.07346	1.5
333.02661	2.3
333.06070	8.4
333.13409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26118	8.1
63.02275	12.5
65.00199	29.3
65.40730	9.2
71.01240	15.0
71.13052	23.5
71.13899	9.0
81.03291	11.5
83.01250	26.2
93.54271	8.9
95.01273	16.8
99.00730	16.7
107.01264	48.3
107.37267	9.5
109.02839	63.2
111.00755	27.8
115.71725	8.5
123.00768	34.7
124.01540	11.7
125.02327	79.3
133.02805	27.0
136.98723	14.2
137.02333	19.5
139.00299	55.2
139.01199	11.3
141.01813	50.8
147.04390	11.0
151.00281	100.0
152.01012	18.6
153.01852	64.4
163.00267	42.9
164.01118	11.3
165.01778	10.6
166.99754	53.5
167.00960	9.2
168.00528	32.7
169.01320	44.4
177.01779	20.4
178.99791	91.7
181.01346	18.4
187.03905	13.0
189.01903	12.6
189.05241	8.9
190.99677	23.2
193.01382	16.2
194.99324	27.2
197.00842	19.5
203.03275	11.9
204.97581	11.8
205.70314	9.5
206.99326	73.3
208.00008	20.1
209.00832	24.4
215.03384	20.2
217.05165	9.6
222.98860	56.6
223.99605	17.8
227.03323	10.1
233.04491	22.9
243.02904	21.9
245.04570	16.7
245.07976	9.5
247.02499	14.9
271.02451	29.0
287.01929	35.7
305.02921	15.8
315.01492	57.1
333.02621	77.6
334.02640	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	332.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96564	28.4
59.01263	42.2
61.98699	100.0
64.19153	30.8
66.39251	33.6
71.01290	31.7
79.53773	29.7
82.66959	39.3
83.17104	29.2
88.27264	29.4
92.08464	31.6
121.02853	36.5
172.91899	38.4
211.68259	34.5
229.39015	40.3
274.56607	36.7
332.15997	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0249
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
50.83497	3.0
51.49337	3.2
53.83450	3.1
59.01224	3.4
63.02258	6.3
63.67029	3.2
65.00187	10.8
65.26054	2.7
65.73151	2.8
69.03304	3.3
71.50633	5.7
81.03307	3.7
83.01247	11.1
89.93828	3.6
95.01263	9.4
107.01274	15.2
107.04833	3.2
109.02823	11.3
111.00742	9.8
123.00756	11.4
124.01575	5.3
125.02328	93.2
126.02626	3.8
135.00777	6.1
137.02339	14.3
139.00310	21.0
143.04901	5.4
149.02298	3.7
151.00282	57.7
152.01059	23.4
153.01810	36.8
163.00270	24.5
165.01814	9.9
166.99748	17.3
169.01337	19.2
178.99770	79.6
180.00197	6.4
190.99818	4.0
191.03413	9.0
193.01318	10.6
194.99275	6.1
199.03883	5.1
203.03424	6.2
204.27568	3.1
205.01366	4.4
206.99280	100.0
208.00034	19.9
215.03378	5.5
219.02893	5.2
229.01308	6.5
231.02808	4.5
233.04262	5.5
243.02919	11.0
245.00746	3.7
245.04594	4.5
247.02467	8.8
251.75418	3.4
259.02402	8.8
271.02411	9.4
287.01944	21.8
289.03540	25.3
315.01422	24.2
316.02148	3.9
333.02478	91.5
334.02853	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	333.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	5.8
59.01242	1.3
63.02256	3.4
65.00204	9.1
67.01747	2.6
71.06733	1.2
71.07063	1.9
72.99148	1.7
75.73875	0.9
79.95608	5.0
81.03307	2.1
83.01257	9.5
86.62445	0.9
93.03346	5.3
95.01260	2.1
103.05394	0.8
105.03353	0.9
107.01276	7.7
107.04862	2.0
109.02837	7.7
115.05437	0.8
117.03318	1.7
123.04396	1.2
125.02328	27.3
130.04086	1.5
131.04922	3.4
133.02863	2.5
135.00717	0.8
135.04413	9.2
137.02304	7.8
139.05389	1.3
143.04893	1.5
145.06487	2.1
147.04456	2.1
149.06026	2.1
151.00270	13.3
152.00735	1.1
153.01852	1.0
155.04956	1.6
159.04408	6.3
161.02330	2.8
163.00290	3.9
165.01834	3.3
169.01382	1.1
171.04443	3.1
173.02365	1.0
173.05965	1.9
174.05499	1.0
175.03934	8.6
177.01784	3.3
177.05492	2.9
178.99754	2.5
179.03285	1.6
183.04405	3.2
185.02367	1.4
187.03922	1.6
189.05498	1.8
191.03400	1.5
193.01295	2.0
199.03915	4.0
201.01799	1.3
201.05551	2.1
201.54985	0.9
203.03401	4.0
215.03479	4.4
217.05060	4.5
219.03041	1.5
227.03468	5.7
229.01343	2.0
233.04451	1.1
243.02928	4.5
245.04546	5.3
246.01729	0.9
260.35889	0.9
261.03845	1.5
271.02405	4.6
284.02374	1.1
289.03552	100.0
290.03870	9.0
333.02606	4.7
334.02451	1.0
343.05261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1548
Annotation	Pestalotiopsone A
Peak:m/z	Relative Intensity
59.77248	1.8
60.62388	1.9
61.98519	1.8
63.02257	5.2
65.00186	2.3
69.16456	21.6
73.08770	1.9
83.01263	3.4
98.20526	3.7
107.01247	6.2
119.60682	1.9
121.02875	2.3
135.00775	44.5
143.04936	4.7
148.01567	5.1
150.03140	3.6
157.06485	6.5
159.04436	10.9
161.05978	3.6
162.06830	2.3
167.03412	18.8
171.04465	2.8
173.05989	13.2
174.06760	3.5
183.15392	2.0
185.05994	19.5
186.06697	5.5
187.03990	10.5
188.04730	4.2
189.05475	7.4
194.02092	6.1
201.05530	17.0
202.06339	21.3
203.06987	4.9
212.04712	4.6
215.03447	9.1
216.04234	5.1
218.23567	1.9
227.14374	3.0
229.05002	15.8
230.05789	28.5
231.19273	1.9
255.13841	5.2
262.08463	8.9
271.13385	13.8
287.16476	4.9
299.12869	100.0
300.13223	7.7
313.28354	2.7
331.15497	56.6
332.15955	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	331.1185
Annotation	Syringopicrogenin A
Peak:m/z	Relative Intensity
53.96469	1.0
56.91955	0.9
57.03316	3.9
59.01246	15.9
66.72996	0.9
67.70831	0.9
69.46706	1.0
70.88381	0.9
71.49450	2.2
83.01254	13.2
83.04915	1.3
85.01900	0.8
85.02823	3.0
85.06462	2.1
91.95032	0.9
92.96889	1.1
94.75725	0.9
95.01262	2.6
95.04897	3.9
96.02007	1.2
96.61057	0.9
97.06456	3.9
99.04417	1.3
105.76392	0.8
105.84984	1.1
108.02061	2.2
109.06384	1.1
111.00729	1.9
111.04396	2.2
111.08067	2.0
112.98700	1.4
113.02327	1.9
113.05957	7.5
119.04925	1.7
121.06490	3.8
121.80113	0.9
122.03667	1.2
123.04389	3.6
124.05186	1.4
135.00880	1.1
135.04395	1.1
137.05988	6.0
138.03140	1.1
139.03931	2.5
139.07500	8.4
141.05466	26.4
147.04446	1.4
148.05186	1.6
150.03160	1.2
151.00246	1.2
151.03906	1.4
152.00775	1.0
152.04681	39.4
153.01790	2.2
153.05231	1.4
155.03398	6.1
163.03900	5.9
163.07545	6.4
164.04680	1.9
165.05481	23.4
165.14619	1.0
166.06252	9.7
167.03426	5.3
167.07037	100.0
168.07407	5.8
173.05925	1.4
176.71446	0.9
179.07027	9.5
180.07309	1.1
181.04977	7.1
181.08582	7.9
183.06548	24.3
183.08109	1.9
184.06892	1.5
187.07605	1.0
189.05489	13.8
192.04233	3.6
193.04938	1.3
195.06580	1.1
197.48898	1.0
200.04793	1.5
207.06544	10.3
213.05441	1.1
215.07219	1.5
225.07607	69.9
226.08012	3.4
229.08723	1.3
242.69110	1.0
271.09818	4.1
289.10693	1.3
313.07440	1.0
313.10809	3.7
331.11865	45.0
331.15482	7.8
332.12173	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1188
Annotation	Monocillin III
Peak:m/z	Relative Intensity
57.03319	6.9
59.00962	0.9
59.01250	16.5
60.28406	0.7
61.31096	0.6
69.80712	0.7
70.98012	1.4
71.01250	1.1
71.03767	0.7
75.89819	0.7
78.28111	0.8
82.21819	0.6
83.01253	13.6
83.04881	1.5
85.02812	2.3
85.06457	4.0
87.04368	0.9
95.01235	3.5
95.04890	5.1
96.02039	0.8
96.95883	1.2
97.06462	7.1
99.04398	0.9
108.02023	3.6
109.06444	1.3
111.00739	1.4
111.04417	3.3
111.08031	3.0
112.98663	1.5
113.02343	3.7
113.05970	11.1
121.06478	3.2
121.68474	0.7
122.03622	1.6
123.04417	4.1
124.01550	0.6
124.05162	1.2
125.02321	1.2
127.03865	1.2
127.75733	0.6
137.02350	1.1
137.05984	8.9
138.03128	1.8
139.00215	1.0
139.03905	2.7
139.07547	9.9
141.05475	43.5
142.05827	1.6
147.04459	0.9
148.05208	4.1
150.03110	1.9
151.00266	1.6
151.07555	0.6
153.01813	1.0
153.09161	0.9
155.03412	9.3
163.07555	10.2
164.07935	1.1
165.05470	22.4
165.06877	1.2
165.58919	0.6
166.06258	17.3
167.03394	7.5
167.06624	1.7
168.04089	1.4
169.01340	1.6
171.04446	0.9
173.05980	1.5
179.07053	14.9
181.04982	10.0
181.08594	11.8
183.06551	47.0
184.06938	2.7
186.01588	0.8
189.05501	6.0
207.06563	6.8
225.07634	100.0
226.07906	4.2
271.09766	7.4
289.10880	2.1
313.10773	4.9
331.07135	2.0
331.11850	62.3
331.24915	2.2
332.12225	5.8
338.82343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1186
Annotation	Monocillin III
Peak:m/z	Relative Intensity
55.01758	0.7
57.01535	0.4
57.03320	6.9
59.01249	19.0
60.22024	0.4
67.01744	0.9
68.99670	0.8
69.03320	0.8
69.54333	1.9
69.54747	1.3
71.01256	1.0
79.05397	0.6
81.03342	0.6
83.01254	14.5
83.04916	1.3
85.02818	3.4
85.06449	4.5
87.04371	0.9
89.02326	0.5
93.03326	1.1
95.01260	4.4
95.04911	6.8
96.02052	1.2
96.95881	0.6
97.06466	7.2
98.29988	0.5
99.04396	1.2
108.02050	2.9
109.02879	1.1
109.06472	1.4
111.00768	1.4
111.04405	4.5
111.08035	3.9
112.98691	1.1
113.02328	3.6
113.05958	12.0
119.08535	0.6
121.06463	5.4
122.03625	2.2
123.00765	0.9
123.04406	4.7
124.05167	0.9
125.02348	1.8
127.03864	1.2
127.07541	0.8
135.08049	0.6
136.05200	0.5
137.02373	0.9
137.04918	0.7
137.05977	12.3
137.09616	1.6
138.03099	2.1
139.00275	1.2
139.03909	3.5
139.07533	10.8
140.07854	0.5
141.05469	47.6
142.05817	1.5
147.04416	1.2
148.05182	5.6
150.03125	1.9
151.00282	1.7
151.03918	0.5
151.07576	0.4
152.04796	0.5
153.01831	2.4
153.05528	0.5
153.99692	0.5
155.03413	9.7
155.07036	0.7
163.06274	0.9
163.07558	13.2
164.04683	0.8
165.05476	25.8
166.06267	19.9
167.03401	9.9
167.04744	0.8
167.06853	0.7
168.04190	6.5
169.01341	1.6
171.04317	1.1
173.06042	2.2
179.07051	16.9
180.07378	0.5
181.05002	13.4
181.08627	13.0
182.05466	0.9
182.08922	0.6
182.77876	0.5
183.06548	62.7
184.06921	3.2
185.06087	0.5
189.05492	6.3
197.08064	0.5
197.09879	0.5
207.06548	8.2
208.07025	0.7
224.76030	0.6
225.07631	100.0
226.08017	5.2
227.10803	0.5
269.11914	0.6
270.08963	0.5
271.09756	9.5
272.10016	0.8
289.10791	1.8
313.10751	5.4
314.11060	0.8
331.11850	62.7
332.12204	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	1.1
59.00959	1.6
59.01250	22.9
61.29531	0.9
67.01743	1.2
71.01254	13.0
71.11967	1.8
72.99164	1.3
79.01757	1.4
83.01253	1.3
84.03161	0.8
85.02815	3.3
89.02322	11.7
91.40792	0.9
95.01273	2.6
101.02314	6.4
107.01250	4.8
111.00713	1.1
113.02324	4.2
114.02472	0.9
119.03410	2.9
123.00764	21.0
123.01656	1.0
125.02344	24.4
125.65045	0.8
131.33984	0.9
139.00253	4.9
140.00978	1.2
141.01831	4.4
151.00270	22.9
153.01758	0.9
168.00565	3.9
169.01341	59.1
170.01663	3.0
193.01331	1.3
211.02419	15.4
241.03391	1.3
271.04593	13.8
272.04977	1.1
299.86572	1.1
331.06696	100.0
332.07040	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	331.0823
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
53.27199	0.3
57.03321	10.8
58.83158	0.3
59.01249	1.1
60.48137	0.4
65.58792	0.3
71.49854	0.4
83.01242	0.7
87.00751	0.7
96.95879	0.7
107.01274	0.4
111.00779	0.9
112.98710	0.8
123.00754	1.0
125.02337	100.0
126.02685	2.7
127.13364	0.3
135.04434	1.6
137.02332	0.3
143.04912	0.6
145.06500	0.8
151.00281	1.2
155.04947	0.6
157.06497	0.5
161.02365	0.4
165.72615	0.3
169.01320	1.8
171.04449	1.2
173.02382	0.3
173.05995	1.4
178.99786	1.0
196.82454	0.3
199.03983	0.9
201.01810	0.4
211.02330	0.4
215.03438	1.3
215.07188	0.4
227.03423	0.9
243.02982	2.1
243.06589	6.3
255.02979	1.3
259.02466	0.8
271.02383	1.1
299.01941	5.7
313.07166	1.4
316.02112	0.7
331.04553	2.0
331.07614	1.3
331.15125	0.5
331.24860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03312	1.2
59.00959	1.9
59.01252	38.4
59.55363	1.0
63.38853	1.0
69.27233	4.4
69.27653	6.6
71.01253	16.9
72.99186	1.1
79.01772	1.9
83.01251	2.3
85.02811	4.1
89.02320	13.8
95.01272	4.1
97.02806	1.3
98.19801	1.5
99.22232	1.1
101.02344	8.3
107.01247	5.9
111.00758	1.7
113.02325	5.0
119.03384	2.4
122.99936	2.1
123.00774	29.3
125.02338	39.1
139.00299	5.9
140.01067	1.6
141.01839	4.4
151.00276	27.9
153.01866	1.3
168.00539	6.7
169.01340	67.1
170.01576	2.2
183.79523	1.1
193.01353	3.0
211.02451	17.3
271.04581	12.6
331.06711	100.0
332.06943	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	331.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02260	7.8
65.00195	16.0
67.01757	3.4
68.99673	2.9
69.31940	4.4
69.32356	14.9
75.09490	1.8
81.03337	3.6
83.01261	5.7
95.01255	14.6
96.99184	2.2
98.18617	2.2
100.09128	1.8
101.29875	1.8
106.00531	2.2
107.01283	18.5
109.02821	7.7
109.99970	9.2
111.00757	8.7
115.05407	1.9
117.03309	2.6
119.04906	4.3
121.02850	2.2
123.00765	67.6
124.01583	2.3
125.02317	3.5
131.04912	4.3
131.89517	2.0
133.02884	3.8
135.00827	2.5
135.04346	2.1
136.98709	4.3
137.02318	21.3
137.99411	2.1
139.00266	17.3
143.04910	2.4
145.02849	3.3
147.04408	5.4
149.02312	2.3
149.99518	4.8
151.00273	97.6
152.00848	4.1
155.03401	5.4
159.04420	8.0
161.02341	6.4
163.00278	7.5
164.98161	8.5
165.01855	20.5
165.98943	7.9
169.01343	6.7
169.02759	3.0
173.02362	4.0
175.03896	13.7
177.01891	9.9
177.99008	4.2
178.99777	93.0
180.00211	5.7
185.02357	7.3
187.03920	14.5
189.01894	6.2
190.02542	2.3
190.99738	10.0
191.03461	5.4
193.01381	3.3
201.01843	4.5
203.03389	20.4
205.01410	10.2
213.01897	12.3
215.03471	9.4
217.01279	5.8
218.02051	2.7
219.02919	14.1
225.07663	2.3
229.01353	13.5
231.02966	20.8
233.00926	4.1
235.02419	3.1
241.01384	5.4
245.00890	2.5
247.02461	12.7
257.00793	9.7
259.02475	29.5
261.00458	4.4
274.01190	2.7
274.76428	2.0
275.01950	15.9
285.00378	10.1
287.02011	19.2
303.01434	58.0
304.01996	4.8
312.99872	6.1
315.01245	2.4
320.01334	2.2
331.00937	100.0
332.01514	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18283	0.8
59.01248	1.3
59.40564	0.7
63.02268	10.5
63.65168	0.8
65.00186	17.3
65.10298	0.8
67.01756	2.5
68.99688	1.2
71.01228	0.8
81.03321	1.4
81.89597	1.0
83.01257	8.7
95.01264	16.6
96.99200	2.2
98.20725	1.4
99.00742	1.5
104.59644	0.9
106.00471	0.8
107.01265	19.2
109.02838	4.9
109.99967	6.0
111.00778	7.7
115.05424	1.0
117.03315	1.8
119.04900	2.0
121.02807	1.0
123.00764	67.8
124.98699	1.4
125.02332	3.6
131.04868	2.8
133.02835	1.6
135.00771	2.4
136.15823	0.9
136.98700	2.5
137.02335	13.1
137.99535	0.9
139.00240	8.3
143.05000	1.6
145.02849	2.2
147.04477	4.2
149.02289	2.6
149.99478	2.5
151.00270	94.1
152.00905	3.4
155.03464	4.3
157.02884	2.1
159.04459	5.0
161.02386	5.0
163.00282	4.3
163.03949	1.1
164.98253	5.3
165.01828	13.4
165.99037	5.3
169.01328	7.3
169.02733	1.4
171.04428	1.2
173.02281	1.8
175.03944	8.0
177.01785	6.2
177.99005	2.6
178.99770	100.0
180.00311	6.0
185.02382	4.5
187.00256	1.1
187.03894	5.8
189.01886	4.7
190.02505	1.2
190.99774	5.3
191.03413	3.5
193.01366	3.8
201.01857	4.6
203.03404	9.5
204.03648	1.1
205.01373	6.8
213.01897	6.2
215.03391	4.4
216.00383	1.0
217.01334	2.8
218.02046	1.3
219.02922	10.0
229.01376	6.7
230.02017	1.2
231.02922	11.1
233.00916	2.1
235.02388	1.0
241.01402	3.7
243.02998	1.0
245.00812	1.2
247.02466	7.2
257.00870	5.5
258.01526	1.2
259.02441	17.3
260.02820	1.0
261.00479	2.4
269.00781	0.9
274.01190	2.1
275.01953	8.8
285.00424	3.6
286.01010	1.0
287.02036	8.9
302.13589	1.3
303.01456	33.6
304.01868	1.7
312.99908	6.4
331.00940	70.8
332.01511	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	329.1757
Annotation	Carnosol
Peak:m/z	Relative Intensity
57.34427	0.3
59.01245	1.1
64.38358	0.3
69.13094	0.9
69.13509	2.5
71.01247	0.3
79.01770	0.3
93.03336	0.7
99.08037	0.4
100.58666	0.3
102.27370	0.3
103.83390	0.3
106.59895	0.3
108.02041	1.3
109.02832	0.5
119.04915	9.2
121.02841	6.7
122.03629	7.0
123.04408	0.4
124.01582	0.6
130.12158	0.4
135.04414	36.2
136.04726	0.9
137.02321	1.7
137.05920	0.4
139.03926	0.5
141.05501	0.4
147.04494	0.3
149.02426	0.3
149.05971	1.5
154.02611	1.4
157.12189	0.3
167.03357	0.5
167.07034	1.3
192.07838	0.4
193.05003	0.5
193.06889	0.5
193.08641	4.4
195.02902	1.1
201.70241	0.3
206.09535	0.3
207.10197	1.3
255.10164	1.1
297.14816	0.5
314.15265	3.9
321.51581	0.4
329.14542	3.8
329.17560	100.0
330.14224	0.4
330.17877	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03317	1.4
59.01244	1.9
61.30451	0.3
69.03331	0.4
71.04458	0.5
71.04830	0.8
79.01774	0.8
83.04871	0.5
84.02025	0.4
85.02827	0.5
97.06463	0.4
99.08039	5.9
108.00780	0.4
123.08039	0.3
125.09616	1.1
127.11189	4.1
135.04413	7.4
136.04659	0.5
137.09625	0.5
139.03920	0.7
139.11185	8.9
139.85866	0.3
149.05969	1.1
155.10681	0.8
155.14297	0.6
157.12271	1.2
165.12718	0.5
167.10675	0.4
167.14330	1.1
168.18544	0.3
171.10184	20.2
172.10501	1.0
183.13824	3.9
193.05013	4.2
193.12283	1.3
194.05322	0.7
199.13196	0.4
201.11206	0.5
209.11778	1.2
211.13336	23.4
212.13701	1.4
229.14430	13.0
230.14691	0.7
293.21207	0.9
311.22223	0.8
329.10239	1.2
329.23325	100.0
330.23672	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	329.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41583	0.7
59.01237	2.5
65.13836	0.7
69.46828	3.9
69.47247	1.5
93.03362	1.4
96.95880	6.7
98.20543	1.6
109.02825	2.2
116.81142	0.9
119.04864	1.3
121.02842	22.8
122.03163	1.1
122.18970	0.8
135.04417	4.7
147.04419	8.6
159.04449	3.3
181.05058	1.0
187.03938	0.9
191.07042	1.1
193.05089	1.6
209.06050	1.4
211.03963	1.1
212.04741	4.1
223.07559	2.6
225.05458	1.3
226.06296	2.3
240.04239	5.0
241.08733	2.1
243.10309	2.0
251.07101	2.7
252.07614	0.9
253.08679	2.4
254.05785	6.7
255.06258	1.0
255.10271	1.4
268.07541	0.9
269.08173	75.9
270.08517	6.6
271.09720	7.9
281.08191	11.0
283.09708	5.3
299.09247	51.5
300.09592	4.6
300.26782	1.0
313.10727	0.9
314.11600	70.5
315.11960	4.9
329.10593	3.6
329.13931	100.0
330.14276	8.8
352.69888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.5
69.00449	0.6
69.20517	2.3
69.20941	3.8
76.82504	0.6
91.05412	0.9
93.03342	1.5
109.02831	0.7
115.05405	0.8
116.17108	0.7
119.04883	0.8
121.02845	11.4
121.03689	0.8
122.03672	3.7
123.00748	3.0
123.04432	1.7
124.01555	1.8
130.04099	0.8
131.04976	1.9
134.03603	0.8
135.04404	1.1
136.01620	0.9
136.05208	2.9
137.02333	2.7
137.06070	1.3
143.04944	2.7
145.02802	0.9
145.06483	1.1
145.60651	0.6
146.03664	0.8
147.00737	0.6
147.04396	8.8
149.02313	4.2
149.05986	1.0
150.03127	17.2
151.03752	1.1
153.05461	2.1
158.03642	12.8
159.04420	37.4
160.05211	87.4
161.05991	32.5
162.03156	1.2
162.06332	1.2
163.03912	16.9
163.05219	1.2
164.04688	14.3
165.05077	0.7
168.04193	0.9
173.05986	10.6
175.07559	68.4
176.04703	2.1
176.07899	3.7
177.05482	19.4
178.06238	11.1
179.03444	0.6
179.06628	0.7
193.08623	8.3
223.09737	0.7
314.11676	2.1
329.13928	100.0
330.14172	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	329.1392
Annotation	3,4,4'-Trimethoxy-2-methoxycarbonylbibenzyl
Peak:m/z	Relative Intensity
55.01751	2.2
57.03325	8.2
59.01244	2.7
59.59937	0.5
71.40977	1.2
79.01762	10.1
79.05425	0.5
87.04410	2.2
100.96294	0.5
102.20783	0.5
109.02834	1.2
119.04896	0.6
120.05686	0.5
121.06509	1.8
125.05983	1.3
133.06465	0.5
147.04431	1.7
149.05984	12.8
150.03114	1.7
151.03925	0.6
155.08458	0.6
159.08026	1.2
161.05995	0.7
166.06332	0.8
167.07060	3.5
171.04449	5.9
173.09642	1.7
175.07556	0.6
178.02562	1.2
181.04968	0.6
183.08040	3.5
191.03465	0.9
193.04982	17.3
200.08417	1.2
211.11237	2.3
225.12798	0.9
229.12357	0.5
237.09290	0.6
238.09714	0.7
241.86958	0.5
253.12308	21.1
254.12633	2.5
255.10184	1.2
282.09009	0.7
297.11298	100.0
298.11658	9.6
325.99808	0.6
329.13916	57.1
329.23456	1.7
330.14282	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	329.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58295	1.0
55.01757	1.0
59.01247	6.6
66.17048	0.8
71.48935	0.9
71.49357	1.0
73.02807	1.2
79.01763	16.3
99.08016	1.8
101.83343	0.8
109.02827	2.5
122.03671	1.1
132.24332	1.0
134.03641	1.7
134.18854	0.8
135.04413	100.0
136.04744	3.3
141.05414	2.1
149.05975	14.7
150.06284	1.0
161.02347	2.0
167.07053	12.3
183.06563	1.7
193.04993	59.3
194.05281	2.6
199.13388	1.9
209.23935	0.8
211.11197	3.1
255.10201	5.7
269.08194	1.1
271.02737	0.8
297.11526	1.4
329.06693	2.2
329.10226	21.8
329.13962	14.5
329.17465	1.7
329.23434	5.7
329.26654	1.2
330.10565	2.5
330.14331	0.9
341.40729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
71.01237	4.3
71.49014	3.5
74.02402	1.7
82.94727	1.9
89.02297	1.9
96.95897	2.0
99.08047	2.0
101.02296	4.3
106.86977	1.9
113.02269	2.3
114.76198	1.9
118.76029	2.2
131.35233	1.8
161.04448	5.0
167.03326	3.7
167.07016	6.7
245.01024	1.6
269.10223	5.5
305.42880	2.1
329.02863	2.8
329.10245	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	329.103
Annotation	Confusaridin
Peak:m/z	Relative Intensity
59.01236	2.4
64.44940	0.6
68.99687	12.0
71.04881	3.7
75.00745	1.3
75.08195	0.5
95.01270	1.3
98.19676	1.0
101.03848	2.9
109.02810	1.4
111.00743	1.0
121.02887	0.7
122.00642	0.6
127.05397	1.2
139.03926	3.7
143.04924	1.3
155.08664	0.8
160.14279	0.6
171.04416	49.8
172.04764	2.3
179.03365	2.1
199.07594	1.8
227.07101	1.4
239.91006	0.6
243.06580	6.9
249.28444	0.6
269.08096	1.5
292.05634	0.7
299.01941	0.7
329.10260	100.0
330.10623	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	329.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30463	0.5
57.03305	0.7
59.01254	3.7
70.06635	1.6
79.01758	14.9
83.03310	0.5
83.82607	0.5
85.02844	0.6
99.08028	3.1
107.04881	0.7
109.02844	1.9
119.03323	0.6
121.02820	0.8
127.11159	1.4
134.03645	2.3
135.04411	100.0
136.04739	3.4
139.03900	2.1
139.11194	2.2
149.05974	12.9
161.02356	0.7
167.07028	3.3
171.10199	5.8
181.04994	0.5
183.13860	1.5
183.37538	0.5
185.11815	0.5
193.04997	53.2
194.05338	2.8
195.02957	0.6
200.86397	0.7
209.11894	0.5
211.06082	0.9
211.13348	9.5
229.14439	4.4
245.59413	0.5
267.10004	0.6
311.09317	0.8
329.10269	14.0
329.13776	1.0
329.23294	32.0
330.10797	1.1
330.23535	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.9
71.01241	0.7
76.23147	0.7
87.04396	1.5
107.04893	1.0
113.05948	1.3
121.02786	1.0
122.03619	34.3
130.56641	0.7
135.04373	1.0
137.05974	100.0
138.06329	4.1
141.05429	1.3
147.04419	5.5
153.05463	1.6
154.02693	1.7
155.07002	3.3
161.05969	0.8
165.05492	4.6
179.03387	0.9
181.04976	42.8
182.05331	1.8
215.07047	1.0
229.07744	0.8
257.11685	1.1
329.10205	4.7
329.13907	2.1
329.23254	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1029
Annotation	Confusaridin
Peak:m/z	Relative Intensity
59.01249	2.5
68.99321	0.7
68.99686	11.1
70.40562	0.5
70.65607	1.1
71.04889	2.8
75.00741	2.1
93.03373	0.6
95.01260	1.0
97.02812	0.6
101.03832	2.5
109.02818	1.1
111.00771	0.9
111.93756	0.5
115.94788	0.4
117.03321	0.9
127.05410	0.6
131.08530	0.6
137.02362	0.5
139.03955	2.4
142.06737	0.5
143.04878	1.1
145.06464	0.5
147.04378	0.7
155.08549	0.6
171.04420	44.8
172.04802	2.1
179.03398	2.0
181.06531	0.8
199.07559	2.7
227.07045	1.1
243.04163	0.6
243.06595	8.4
244.06851	0.7
255.06631	0.9
269.08124	2.1
329.10275	100.0
330.10617	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	329.0877
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
50.99080	0.3
57.03304	0.5
59.01245	1.2
65.00179	0.6
67.01749	0.3
70.64140	0.9
71.01254	0.5
71.63091	0.2
81.03328	3.8
83.01244	2.3
85.02819	0.6
93.03308	0.5
95.01290	0.4
95.04882	0.9
97.02839	0.5
99.04410	0.3
107.01279	0.3
118.62799	0.3
121.02812	0.6
122.03606	0.3
123.04402	37.5
124.04736	1.2
125.02335	5.3
135.04381	0.4
137.02330	0.8
139.03894	0.9
149.02267	1.4
151.00241	1.1
151.03918	1.1
163.03903	1.5
166.02647	0.9
167.03403	100.0
168.03737	4.3
175.00261	1.1
179.03389	1.0
180.04134	0.5
181.04984	3.1
191.03419	23.2
192.03770	1.3
193.05025	0.4
209.04474	10.3
210.04874	0.5
221.04462	2.2
233.04578	0.4
329.08737	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	329.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.1
59.01249	9.5
60.93497	0.9
65.03764	0.8
68.99688	16.3
71.01244	1.2
71.04893	2.0
71.40936	1.5
73.02811	0.8
83.04923	1.0
85.06477	4.9
87.00755	9.3
87.04400	3.3
93.03291	0.8
101.03873	4.5
104.27765	0.8
111.04391	1.0
113.05975	99.0
114.06300	2.3
117.03323	1.3
122.03643	13.6
127.05419	1.3
135.04460	1.4
137.05992	59.6
138.06329	1.6
139.03880	1.2
139.07549	1.0
151.07530	1.2
153.05464	3.9
155.07033	1.1
165.05533	1.1
167.06995	4.5
171.04436	100.0
171.10207	3.0
172.04716	5.7
179.07065	4.7
181.04994	29.6
182.05362	1.2
189.05508	5.7
199.53194	1.0
201.11279	2.4
211.11095	1.0
243.62935	0.9
252.07881	2.8
255.10284	2.3
267.10233	9.9
285.11398	1.4
299.01901	1.0
314.04294	1.0
329.10281	7.2
329.13953	7.0
329.17438	1.6
329.23276	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	329.0666
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
50.65008	0.5
50.99412	0.5
59.01243	3.6
60.07634	0.6
61.98694	0.5
65.00188	0.5
67.29201	0.5
69.97684	1.7
107.01197	0.5
116.18752	0.6
119.62879	0.5
137.05916	1.1
151.00281	2.9
161.02345	14.4
167.06998	1.1
167.10648	0.5
171.04366	1.1
178.45638	0.5
183.04390	1.5
185.02362	4.2
187.00334	1.2
193.77217	0.6
199.03879	2.0
201.01759	0.9
203.03455	6.1
211.13315	0.6
215.03447	2.1
221.04324	0.7
227.03442	16.4
228.03867	1.2
229.01389	1.1
231.42601	0.6
243.02997	6.3
268.03641	0.9
271.02463	52.5
272.02774	3.2
285.04037	2.1
292.45062	0.6
299.01956	95.6
300.02313	6.8
313.03513	5.1
314.04312	62.7
314.65634	0.5
315.04712	5.4
329.06656	100.0
329.23224	3.3
330.06973	9.9
349.11072	0.6
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	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01728	0.6
57.03319	3.7
57.62264	0.7
69.03330	3.5
69.26444	6.3
69.26777	0.7
71.01252	1.4
83.04918	0.9
85.02821	15.9
97.02824	2.3
97.06462	3.1
119.08547	1.0
125.09598	1.6
127.11205	2.2
137.09578	3.7
165.12875	0.8
167.14244	1.1
171.10185	35.4
172.10539	0.9
177.12787	0.8
183.13812	2.6
185.11728	1.0
197.11629	0.8
201.11249	1.6
209.11682	1.1
211.13339	15.6
212.13658	0.8
221.11725	3.1
229.14421	9.1
239.12914	1.9
257.11066	0.8
291.19623	3.0
309.20877	0.9
327.21756	100.0
328.22165	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	329.0668
Annotation	3,8-Dimethylherbacetin
Peak:m/z	Relative Intensity
56.22312	0.5
59.01154	3.0
65.00128	1.1
70.58751	0.4
77.03741	6.6
79.01671	6.0
97.02821	6.3
98.20681	1.0
99.07964	0.8
108.01974	1.5
109.02775	1.0
121.02843	14.3
122.03548	1.0
123.00691	1.0
124.01464	1.1
127.11014	1.6
135.04332	1.5
136.01581	2.6
137.02367	5.4
138.03000	1.4
139.11189	3.9
141.05374	1.2
148.01534	5.5
149.02209	2.0
150.03030	1.2
163.00145	2.2
164.01050	4.7
165.01857	14.6
166.02144	0.6
171.10194	7.5
177.01884	3.6
178.02657	4.3
183.02803	1.9
183.06485	1.2
193.04910	1.0
200.77127	0.5
227.03218	0.8
230.05748	0.9
241.04990	1.9
243.02936	0.5
257.04474	1.1
258.05313	1.0
269.04501	1.5
271.02441	0.7
285.04068	2.1
286.04764	0.6
287.22134	1.1
297.03949	1.6
314.04306	76.3
315.04584	5.5
329.06662	100.0
329.23325	13.4
330.07025	10.2
330.23798	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	327.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41190	2.1
58.00450	2.9
59.01247	91.9
71.01251	61.8
72.99181	4.5
75.87588	2.3
83.01259	3.4
85.02836	15.5
87.00753	3.6
88.52957	2.4
89.02309	62.9
95.01257	4.8
99.09716	2.7
101.02305	27.8
113.02319	31.0
119.03378	21.7
121.10120	100.0
122.10451	3.7
125.02318	3.7
131.03448	2.5
141.28134	2.5
153.40036	2.4
163.11197	13.4
165.09094	27.1
171.10040	3.1
179.05562	6.5
207.10236	8.9
221.92934	2.4
237.11368	3.1
327.12485	3.3
327.15933	3.6
327.21829	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1601
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
59.01236	1.4
74.26006	0.4
80.23124	0.5
89.02324	1.0
97.90184	0.5
98.20695	1.0
136.68364	0.5
171.10158	0.8
183.01082	0.6
192.38361	0.5
195.08044	1.4
197.11971	0.6
211.07616	2.6
213.05527	2.1
221.05927	1.0
222.06822	3.8
223.07278	0.8
224.04657	1.0
225.05438	1.8
225.09125	0.6
226.06303	1.1
227.07144	0.8
238.06311	3.0
239.07108	5.1
240.07896	8.8
241.08675	6.7
242.09045	0.7
253.08681	31.4
254.06093	1.0
254.09045	2.2
255.10199	1.4
264.66217	0.5
267.13867	0.6
272.06830	3.3
283.09750	0.7
295.13458	2.7
311.12891	4.3
312.13651	50.9
313.13956	4.8
325.02756	0.5
327.16016	100.0
328.12790	0.8
328.16354	9.1
336.43039	0.5
344.12640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.51269	0.9
52.78716	1.4
59.01245	2.3
62.50253	0.9
64.25555	0.9
71.49131	1.2
72.14887	0.9
101.02341	1.4
119.04929	2.0
149.09624	92.6
150.09953	4.5
163.11197	100.0
164.11530	5.7
170.00293	1.2
183.01131	37.2
184.01859	2.9
193.07141	2.6
197.02718	2.7
216.00859	1.5
262.36938	1.0
273.18680	1.2
325.18350	62.3
325.21759	80.9
326.18668	5.7
326.22113	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	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
69.72942	6.2
84.18138	1.5
87.28249	1.5
92.42409	1.5
104.75036	1.6
119.04909	100.0
120.05244	5.2
145.02786	1.8
163.02525	3.3
163.03908	64.7
164.04181	2.9
185.13388	1.7
185.79404	1.5
273.69620	1.7
317.38953	1.6
338.43240	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1439
Annotation	Trigonostemone
Peak:m/z	Relative Intensity
52.64143	0.4
55.74905	0.5
57.61483	0.4
59.01201	2.7
62.33280	0.4
65.38056	0.5
71.01231	1.0
71.48904	0.5
71.96442	0.4
73.02782	0.7
73.50676	0.4
75.47459	0.5
89.02293	0.5
101.02247	1.4
113.02301	0.5
115.12247	0.4
122.03640	0.6
144.83167	0.4
160.05157	0.5
163.05943	0.6
183.01088	0.8
187.07588	0.5
193.07198	2.5
195.08029	1.0
197.05913	0.6
211.04033	0.7
211.07608	2.1
213.05458	1.4
221.06071	0.6
222.06761	0.6
223.07590	0.6
224.04741	1.5
225.05528	2.6
226.06206	1.6
227.07019	0.6
235.07611	1.3
236.08107	0.6
238.06339	2.0
239.07100	12.7
240.07750	3.3
241.08623	2.5
242.05714	0.7
243.06610	0.7
253.08679	39.1
254.09232	5.0
256.07425	2.6
267.10193	1.0
268.07370	1.2
269.07913	1.0
272.06860	0.6
281.08218	1.3
286.08350	2.1
288.06342	0.5
291.10263	1.4
292.11041	0.5
293.11780	1.3
295.09872	0.6
309.11264	5.6
310.12103	61.1
311.12415	4.4
325.14456	100.0
326.14755	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	321.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94786	11.5
59.01242	34.4
65.41456	14.4
68.99679	32.4
69.56326	53.3
69.56734	31.8
71.58349	11.8
72.90971	10.8
80.89985	10.9
98.19815	23.2
101.43998	13.0
109.02846	21.6
111.00787	16.9
115.56854	11.3
117.87470	15.3
119.04921	47.6
125.02343	92.4
131.26089	11.1
137.02333	42.2
139.00270	29.5
139.03923	17.6
141.01735	12.5
153.01810	20.2
156.08974	12.6
163.03922	24.3
167.03375	15.4
169.01320	43.7
175.02373	25.1
177.01830	54.7
321.06247	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	325.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02855	5.9
59.01241	1.3
60.52046	0.6
60.55931	0.7
70.02855	7.3
71.01268	0.8
71.49182	0.8
71.49586	1.0
72.04423	1.6
73.02836	0.8
74.02347	40.5
79.95599	7.2
80.96396	1.1
81.40086	0.7
89.02292	1.0
98.02349	11.2
101.02335	1.2
116.03417	12.9
116.04949	10.9
128.03036	0.7
130.06531	1.3
137.02274	0.7
142.06554	5.0
157.07632	7.3
159.09198	2.0
183.09245	1.3
186.05536	1.3
193.07117	1.6
196.00702	2.1
199.08571	0.8
201.10281	6.2
203.08206	37.9
204.08557	2.2
222.02251	2.1
237.03360	13.3
245.09291	47.2
246.09651	3.3
281.06061	1.3
283.04065	2.0
325.05002	100.0
326.05313	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	320.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
55.34661	0.3
59.01249	2.5
71.04883	0.6
71.12156	0.3
74.57423	0.3
74.81711	0.4
83.29066	0.3
85.02842	0.8
88.57493	0.4
96.95894	0.4
98.19779	0.8
105.05727	0.9
119.07288	1.0
132.08087	0.6
133.17557	0.3
134.09654	44.8
135.09991	1.2
148.11244	0.5
161.08397	0.9
172.11310	0.5
174.09180	0.6
175.09984	1.9
189.11522	0.7
190.12312	100.0
191.12648	5.6
202.12421	0.5
214.16022	0.9
232.17064	2.6
232.70335	0.3
246.11320	0.4
258.14960	0.9
264.32346	0.3
276.16055	21.2
277.16370	2.0
302.13998	3.1
303.14307	0.4
320.15033	14.3
321.15295	1.4
326.67111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0822
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
57.85536	0.4
59.01248	3.1
65.03816	1.1
66.41143	0.5
66.67549	0.4
67.09381	0.5
69.30473	4.3
71.01254	1.7
73.02823	2.6
81.03335	2.1
83.04888	5.9
85.02821	1.1
89.02313	0.6
93.03335	37.1
94.03671	1.2
94.22516	0.5
95.01269	0.9
99.00761	1.2
99.04396	0.9
101.02307	0.9
105.31537	0.5
109.02843	0.8
111.04407	11.1
117.03366	7.2
119.04917	100.0
120.05246	4.0
121.02804	0.9
123.00790	0.8
123.48019	0.5
125.02374	0.8
137.02348	23.4
138.02711	0.7
139.00243	0.5
145.02855	22.4
146.03160	0.6
155.03409	22.7
155.04672	1.1
155.57240	0.5
163.03920	95.9
164.04272	4.6
165.01790	0.6
166.02644	0.7
167.03403	2.5
173.04486	1.5
177.01842	0.7
203.03406	0.6
319.04453	1.5
319.08154	12.6
319.17722	0.6
319.21091	0.9
320.08578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84304	0.8
55.01758	2.2
59.01239	1.0
59.90291	0.8
69.03310	1.2
71.04893	11.7
71.49100	1.4
83.25522	0.9
92.81716	0.8
93.03337	1.5
95.04903	25.6
97.02831	34.8
98.03216	0.9
99.00724	0.9
109.02151	1.7
109.02840	19.7
115.03211	0.8
115.03870	4.7
115.68308	0.7
121.02837	1.9
123.00754	2.5
124.01543	1.2
125.02432	0.8
125.03465	1.9
127.05006	1.8
128.03409	2.1
137.02301	2.4
139.03909	80.3
140.04227	4.0
142.15459	0.8
149.02304	1.0
151.00223	0.8
153.01839	26.9
153.03098	1.3
155.03427	1.1
165.01799	13.3
165.03032	0.9
166.02493	1.4
167.03375	7.9
183.02911	100.0
184.03236	3.2
268.99988	0.9
319.04538	1.8
319.21255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0459
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
55.01751	2.9
67.01746	2.8
69.03307	4.8
70.11075	2.3
71.01264	3.1
71.03962	3.7
71.04290	3.1
79.84343	2.3
80.53277	2.3
81.03346	5.1
83.01256	6.0
85.02821	5.9
93.03336	3.6
95.01260	9.8
97.02828	4.3
99.00758	23.5
101.45046	3.0
105.03335	2.7
105.20837	2.7
109.02843	18.8
111.00764	15.8
113.02288	4.6
117.03395	2.3
119.04834	3.7
121.02851	12.7
123.00784	24.9
123.04386	3.1
124.01607	3.5
125.02333	81.4
127.00292	14.9
133.02803	2.8
135.04399	3.5
137.02370	36.1
138.03139	4.3
139.00258	12.6
139.03943	5.6
140.01045	2.8
141.01831	80.5
143.04942	2.7
145.02867	12.5
149.02367	13.2
151.00267	14.0
151.03873	6.2
152.00998	3.2
153.01840	65.2
154.02568	8.0
158.03537	2.5
159.04398	4.0
160.65172	2.9
161.02335	14.2
161.05930	3.1
163.03908	9.7
165.01826	22.1
166.02510	2.7
167.03410	19.2
173.02353	4.7
175.03975	4.1
177.01851	100.0
177.05302	3.3
178.02148	5.6
179.03391	5.8
180.00595	5.9
181.01315	11.3
182.02061	7.5
185.06094	3.5
187.03917	7.3
189.01830	15.7
189.05551	3.6
190.02615	7.5
191.03423	69.4
193.01335	40.9
195.02988	2.6
197.02325	2.8
203.03453	5.3
204.48013	2.7
205.04991	4.3
205.14647	2.9
211.03979	5.4
214.02594	3.2
215.03445	10.8
216.99242	3.6
217.01355	64.8
218.02036	4.5
219.02931	17.2
221.04590	5.2
229.05025	6.3
231.02863	3.4
231.06680	3.8
233.04500	26.0
247.06018	3.4
251.05502	6.0
255.02921	4.0
257.04465	10.9
258.01767	4.9
273.03998	7.1
275.05627	20.0
276.06317	2.6
301.03671	18.0
319.04565	70.6
320.05130	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	319.0457
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
51.58976	1.9
57.03321	7.3
58.99231	2.0
59.01243	2.7
67.01774	2.1
69.03314	2.7
69.31130	20.4
71.01239	3.0
81.03310	3.1
93.03336	4.5
94.03880	2.1
95.01264	4.8
95.04890	2.9
97.02818	3.4
99.00761	13.0
105.03311	2.4
105.65160	2.2
109.02840	7.9
111.00774	8.9
111.04399	2.2
118.84302	2.4
121.02847	11.2
123.00774	27.5
123.04349	3.2
124.01563	13.5
125.02329	60.4
126.02620	2.4
127.00216	4.7
133.02872	2.6
137.02330	16.2
138.03075	4.3
139.00253	11.2
139.03900	16.7
141.01839	42.0
145.02844	5.6
147.04427	2.6
149.02341	13.9
151.00244	8.2
151.03915	3.3
153.01875	20.4
157.01317	3.2
159.04425	2.2
161.02365	11.9
163.03909	2.8
164.01028	6.3
165.01865	20.0
166.02641	14.3
166.03818	2.3
167.03406	100.0
168.03732	3.1
169.01382	2.1
173.02327	2.7
175.00270	8.8
176.55200	2.1
177.01842	43.3
178.99689	4.7
179.03256	2.5
180.00546	2.9
181.01329	6.9
181.98917	1.9
182.02185	2.2
189.01831	8.7
190.02608	2.8
191.03415	29.5
191.07201	2.2
193.01355	37.3
195.02882	2.5
197.04483	5.0
201.05452	2.7
203.03401	4.2
210.26839	2.2
215.03418	7.7
217.01410	23.7
217.04871	2.0
218.01788	3.4
219.02927	16.4
221.04454	2.6
221.12245	2.3
229.05074	2.3
233.04523	11.5
251.05540	3.9
255.03003	2.9
257.04510	7.3
275.05621	7.0
300.19022	2.6
301.03519	9.7
319.04568	37.2
320.05109	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	317.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92093	0.4
52.72233	0.3
55.01749	0.6
55.60504	0.4
59.01227	0.5
70.24956	1.7
81.74520	0.4
83.01250	0.8
108.02041	1.8
109.02843	0.6
111.00799	0.8
113.92960	0.4
122.03609	1.1
123.00772	2.2
123.04395	0.6
124.01545	1.4
125.02367	1.0
129.06993	0.9
135.04425	0.6
136.01591	0.6
137.02290	1.7
138.03130	0.6
145.06483	1.1
148.01515	1.0
150.03102	1.6
151.00237	1.8
151.03958	0.6
152.01033	1.2
157.06479	1.7
159.04410	0.8
159.08057	0.5
161.02367	1.1
161.06001	3.1
162.03157	3.2
162.06839	2.6
163.03595	1.3
165.01926	0.6
170.07207	0.7
171.08060	9.0
172.05174	0.5
172.08379	1.7
173.06021	1.2
175.03935	2.3
175.07561	5.1
176.08327	3.8
177.08743	0.4
178.99675	0.7
180.00546	7.7
185.06007	3.1
186.06612	0.5
187.03743	0.5
187.07620	0.6
188.08139	0.4
189.05495	3.4
193.05008	0.8
199.03917	0.5
200.04504	0.8
201.05519	4.4
202.06224	3.2
203.06877	2.2
204.07845	13.8
205.08162	1.4
208.07220	0.5
213.05519	1.9
214.05806	1.3
215.07074	19.2
216.07503	14.6
217.08109	2.7
225.61566	0.4
229.15750	0.8
230.05754	0.4
231.13863	4.0
245.15407	3.5
248.06737	0.6
255.13979	0.5
270.12173	0.7
273.14951	36.4
274.15308	3.0
284.14084	1.7
285.14883	100.0
286.15247	8.8
299.12927	1.0
317.02930	2.8
317.13882	9.3
317.17200	6.9
318.14279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0298
Annotation	Myricetin
Peak:m/z	Relative Intensity
54.33028	0.8
54.51969	0.7
63.02266	6.8
65.00189	12.4
71.26398	1.2
72.78383	0.8
77.38093	0.7
77.72203	0.8
81.03298	0.8
83.01256	9.1
107.01267	21.3
109.02835	21.7
118.94738	0.9
124.01528	0.9
125.02335	2.6
137.02339	47.6
138.02686	1.1
151.00269	59.1
152.00616	1.9
157.69649	0.8
163.00215	2.1
164.00993	0.9
165.01820	3.3
169.01329	3.2
178.98219	1.8
178.99770	30.7
190.99713	1.1
192.00563	2.4
193.01253	2.2
227.03506	1.4
245.04710	0.8
271.02557	3.3
288.02771	1.0
317.02991	100.0
318.03317	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	317.0301
Annotation	Myricetin
Peak:m/z	Relative Intensity
67.01780	0.4
68.27062	0.2
68.99696	0.3
69.03326	0.4
69.35992	2.0
69.51351	0.3
69.66354	0.2
77.03851	1.5
79.01781	0.2
83.01247	1.4
93.03336	1.5
95.01285	0.3
97.02827	3.1
109.02827	1.0
121.02849	4.9
123.00781	1.1
125.02386	0.3
137.02339	20.8
138.02667	0.7
146.51361	0.2
151.00323	1.4
165.01842	100.0
166.02182	4.4
178.99976	0.3
190.36504	0.2
317.03003	9.2
318.03461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1237
Annotation	Monocillin II
Peak:m/z	Relative Intensity
56.32160	0.6
57.03302	1.4
59.01248	11.8
68.99683	2.0
69.03316	0.9
79.05390	1.0
83.01253	2.6
83.04890	0.7
85.02822	4.4
85.06455	4.1
95.01242	2.1
95.04886	2.3
96.02042	1.2
97.02834	1.0
97.06464	5.3
99.04414	1.6
107.04895	0.9
108.02038	6.2
109.02827	3.2
109.06467	0.7
111.00887	0.7
111.04366	0.8
111.08060	1.3
113.02323	1.4
113.05969	15.7
119.04959	0.8
121.06459	1.6
123.04404	7.0
124.05132	0.8
125.02354	2.2
125.05961	4.6
131.04971	3.9
137.02324	2.0
137.05969	2.4
139.00313	0.9
139.03920	1.6
139.07518	2.4
141.05476	41.7
142.05824	1.5
145.06468	2.3
147.04422	2.5
147.08051	6.4
149.05983	5.0
151.03889	1.0
152.04677	2.1
153.01811	1.0
156.05678	1.1
157.06488	3.3
159.08072	0.8
165.05450	7.2
166.06284	5.3
167.03418	4.1
167.07062	6.7
171.04446	1.2
173.05997	20.8
180.07799	3.2
181.04979	29.2
182.05225	1.0
183.06499	3.0
184.05142	1.2
185.05992	2.3
186.06773	3.3
191.03433	7.4
194.05836	1.2
200.08374	1.1
201.09113	1.3
206.05780	4.9
211.11209	3.1
227.10742	1.6
227.14258	1.3
228.07877	1.1
228.24734	0.8
229.12257	2.5
231.10219	1.0
241.08635	0.9
245.08124	5.7
248.03044	0.8
253.12292	2.9
255.10268	15.6
256.10989	7.0
257.08301	1.3
269.11868	3.5
271.13419	14.2
271.20474	0.8
272.13647	1.1
273.11328	18.6
274.11523	2.0
297.11337	1.3
315.12384	100.0
316.12665	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	315.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80732	0.5
57.03315	0.7
59.01240	0.9
60.66762	0.5
79.01762	4.3
81.03330	6.0
83.01244	4.4
83.04892	14.1
85.92107	0.6
88.86860	0.5
93.03323	1.1
95.04895	4.9
99.08034	5.0
101.05956	1.3
101.63046	0.6
106.04118	0.7
107.01250	0.7
107.04892	0.6
109.02847	1.0
109.06467	2.3
111.04385	1.2
119.04912	34.1
120.05243	1.4
121.06463	1.4
123.08046	29.6
124.01589	1.1
124.08363	0.8
145.02797	0.7
145.04984	1.3
147.04439	1.0
149.05981	3.2
151.00284	1.4
151.03918	0.7
152.00926	0.5
152.04678	2.1
153.05452	0.6
159.04300	0.5
163.00217	0.7
163.07516	0.8
164.01030	0.7
165.01836	0.6
165.09119	31.4
166.09396	1.5
167.07042	16.7
168.07365	0.7
171.04356	0.6
178.99828	0.7
179.03467	0.5
180.04131	1.1
184.37619	0.6
187.13342	5.6
189.05481	2.3
191.07045	1.2
193.05017	4.3
194.05423	0.9
203.03389	1.1
209.08124	56.2
210.08432	3.2
213.02092	0.5
214.02682	2.0
215.03358	1.2
221.08121	0.8
227.03351	0.7
229.12444	0.9
242.02167	2.0
243.02904	2.4
259.02444	3.3
270.01761	1.4
271.02454	12.4
271.13336	2.2
287.01962	11.8
315.01813	4.4
315.12384	100.0
315.17822	9.2
316.02225	24.6
316.12668	11.2
316.18411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.2
57.03319	0.9
59.01258	0.6
61.12241	0.4
64.39948	0.3
73.00420	0.3
74.51276	0.3
85.02814	0.4
92.93390	0.3
95.04881	0.4
97.02824	3.2
99.08032	13.3
100.08368	0.3
107.04935	0.4
109.02832	0.4
111.04403	0.6
111.08019	0.4
117.03374	0.4
119.29847	0.4
123.04389	0.8
123.08048	1.3
125.05986	1.9
135.08073	0.6
137.05940	0.4
143.03377	0.5
145.06491	0.6
147.04434	1.0
151.07573	1.3
152.04700	6.3
153.05435	0.8
154.02603	0.7
158.74300	0.4
162.06830	0.4
163.03963	1.9
165.01836	0.5
165.05467	1.6
167.07050	100.0
168.07359	3.5
169.01428	0.5
179.03374	0.8
179.07079	1.5
180.07869	1.7
180.16203	0.4
183.06577	0.7
191.03419	39.3
192.03767	1.4
194.05777	1.1
195.06548	1.6
206.05779	69.0
207.06099	3.5
209.08176	0.7
224.06775	0.6
227.14439	0.6
253.12320	1.2
269.11752	0.4
271.02563	0.5
271.13272	1.9
282.08911	0.4
287.01883	0.8
297.11307	15.5
298.11725	0.8
315.12381	62.8
315.25156	2.4
316.02112	1.2
316.12686	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	315.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
57.03327	2.8
58.66029	0.4
59.01246	1.1
63.59245	0.3
69.82762	2.0
74.20808	0.4
79.01723	2.2
80.02541	0.4
83.01259	2.0
83.04876	0.4
85.06448	0.3
87.04367	0.9
93.03312	0.5
95.04898	13.2
96.05212	0.4
97.02834	0.9
99.07382	0.7
99.08035	13.7
100.08397	0.6
102.80247	0.4
109.02817	0.8
109.06507	0.8
121.02903	0.5
121.06468	0.8
122.03589	1.0
123.08041	7.6
135.25090	0.4
147.08066	0.4
149.05952	3.1
150.06737	1.0
151.00200	0.4
152.04692	1.8
165.09119	63.4
166.09465	3.0
167.07050	75.9
168.07370	3.3
171.04414	0.7
181.01300	0.8
191.07205	0.4
193.04961	4.7
194.05722	1.1
199.03905	0.4
209.08125	100.0
210.08481	5.4
253.12315	1.5
271.02612	0.4
297.11304	5.7
298.11633	0.8
315.12372	54.9
316.02460	0.5
316.12671	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	315.0877
Annotation	5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
50.30460	1.1
51.24889	0.9
55.31479	1.0
59.01248	9.7
68.99697	2.4
71.01256	1.8
71.49458	1.5
73.02824	2.3
79.01762	12.9
81.03343	2.7
83.01256	3.2
85.02823	14.9
85.03293	1.1
87.00749	46.0
87.01288	2.5
91.32471	1.1
96.95914	2.2
97.02829	1.7
99.00893	1.1
99.04404	2.5
111.00750	9.0
115.03908	4.3
117.03281	1.6
118.60954	1.0
119.04940	1.1
121.02834	1.0
123.04412	6.5
124.01575	1.6
125.02338	9.6
130.04141	2.5
131.04916	2.3
136.01617	1.6
136.98749	1.1
141.07039	1.2
143.03429	8.4
143.04932	1.4
145.06494	36.9
146.06854	1.7
147.04437	9.6
147.08025	2.1
149.02316	1.8
151.00287	16.8
153.05505	1.5
157.06528	2.7
159.04453	1.5
161.06071	1.1
167.03412	10.8
171.04457	14.1
172.05225	12.3
173.05977	17.2
182.40924	1.0
183.08086	2.0
187.07664	2.9
190.58951	1.1
191.03513	1.4
191.69310	1.3
197.06021	1.2
199.07530	1.4
200.04677	5.7
203.03458	1.2
210.88084	1.2
211.07556	1.3
211.91191	1.2
213.05536	1.3
214.02673	1.7
215.03593	3.3
215.07089	100.0
216.07422	6.6
227.07063	3.8
243.06595	2.2
255.06601	52.2
256.07047	2.7
259.02393	3.2
269.07861	1.2
270.01822	2.0
271.02426	4.8
271.10010	1.9
272.03250	2.7
273.07663	5.3
287.01965	10.3
297.07724	7.8
299.99368	2.3
300.02658	16.6
315.01431	11.2
315.05145	8.6
315.08771	47.5
315.12134	2.3
315.15775	2.3
316.02173	8.6
316.09064	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	315.0875
Annotation	Mosloflavanone
Peak:m/z	Relative Intensity
56.21218	1.0
59.01245	3.6
61.98734	1.2
62.78995	0.9
68.99712	1.1
69.14432	6.9
69.14849	4.0
71.04903	1.6
71.88802	1.0
77.03842	2.9
77.09588	1.0
79.01765	10.1
79.81693	0.8
81.98617	0.9
83.01263	2.8
87.00778	1.0
93.03337	2.5
95.04886	2.3
97.02841	4.1
99.04391	2.8
104.74178	1.1
107.04926	1.4
108.02099	1.8
109.02853	3.7
111.00777	2.2
117.03324	1.6
119.04912	55.8
120.05265	1.3
121.02863	7.4
122.03531	1.1
123.00781	1.3
123.04422	12.4
124.01544	6.0
124.98727	2.1
125.02333	12.6
127.03900	8.1
134.03619	6.4
135.00801	1.6
135.04420	2.3
137.02368	2.8
138.03159	2.1
139.00285	1.3
139.03891	0.9
143.04935	4.1
145.02841	4.8
145.06499	3.5
147.04451	2.8
149.02336	2.7
149.06004	6.3
150.03108	2.1
151.00291	5.8
151.03920	6.4
152.01041	2.6
153.04282	1.0
153.05479	3.2
155.08643	1.0
157.05476	1.1
159.04445	1.8
161.06001	5.0
165.01843	11.9
165.05495	1.9
167.03426	17.4
169.05063	1.5
169.06560	1.1
170.02145	2.0
171.04451	4.4
172.05106	1.4
173.02405	1.3
173.06003	3.0
176.01099	1.5
177.01866	8.8
178.02589	3.1
179.03360	1.5
183.08081	1.8
187.03949	5.1
189.05539	7.8
191.03358	1.4
194.02127	1.3
195.02887	4.7
197.06001	1.5
199.03864	1.1
201.01845	1.4
201.09105	1.3
209.09769	1.2
210.01585	1.3
211.07562	2.8
213.05585	2.0
215.07083	2.5
216.04155	1.5
225.09167	2.0
227.07031	1.6
235.07510	1.3
238.06366	1.4
253.08650	4.0
255.06581	12.2
259.06180	4.7
269.08017	1.7
271.02521	3.7
271.09698	2.5
273.07629	3.7
287.01987	4.1
297.07700	11.3
298.07971	1.3
299.99332	1.3
300.02954	1.3
300.06155	1.4
315.01880	5.7
315.08737	100.0
315.12372	20.2
315.16101	3.9
315.25424	2.1
316.02200	3.8
316.09076	9.0
316.12820	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	315.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.5
62.50062	1.1
63.02221	1.9
68.99673	2.6
69.59993	8.8
73.02824	2.3
78.91945	1.3
79.01753	13.7
82.07995	1.1
82.47134	1.2
83.01261	3.2
84.94242	1.2
85.02821	15.5
87.00747	47.7
95.01273	2.5
97.02823	2.4
99.04392	4.4
101.02335	1.5
101.03861	1.6
104.76711	1.2
107.01286	2.2
109.99973	1.8
111.00779	9.4
115.03928	2.4
116.29274	1.2
117.03350	2.4
119.04882	1.9
120.99535	11.8
123.04411	4.3
124.01571	2.9
125.02329	4.8
130.04146	2.7
131.04947	3.3
143.03358	5.3
143.04921	2.2
145.06494	34.6
146.06749	1.7
147.04411	7.9
149.06004	1.8
151.00279	24.3
155.08533	1.7
157.06432	2.1
159.04367	1.6
161.02354	1.6
164.01038	1.2
167.03423	12.0
171.04420	19.4
172.05205	9.8
173.05986	18.6
175.03951	1.4
178.99792	3.1
183.04747	1.6
183.08092	4.0
187.03888	2.8
187.07599	3.1
199.04002	1.3
199.07552	1.9
200.04674	5.8
203.03462	2.9
211.07603	1.8
213.05615	1.8
214.02559	1.8
215.03676	3.1
215.07074	100.0
216.07425	5.5
227.07205	3.7
243.02893	2.4
243.06819	1.9
255.06595	58.1
256.06885	3.6
259.02423	5.8
269.08246	1.5
271.02448	13.3
273.07675	3.9
287.01974	14.1
297.07715	5.5
299.99094	3.7
315.01559	18.1
315.08737	45.5
315.16028	1.4
316.02231	13.9
316.09033	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	315.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.1
61.97870	1.0
61.98445	1.2
63.02312	1.0
65.00191	1.4
68.09354	1.1
68.99697	3.1
69.03323	1.2
69.39524	8.4
73.02818	1.7
79.01763	27.4
83.01279	4.0
85.02822	8.7
87.00749	23.9
87.01280	1.3
93.92886	1.2
97.02843	2.2
99.04366	5.8
101.03880	1.4
107.01292	2.5
108.02105	1.2
109.06274	1.1
111.00773	6.5
115.03921	2.9
115.05427	1.3
117.03370	2.0
121.02865	2.1
123.00811	2.6
123.04416	3.5
124.01565	2.9
125.02335	5.2
130.04120	1.5
131.04939	3.1
135.00790	2.0
136.01540	3.0
136.24753	1.1
137.99519	1.4
141.01822	1.9
141.06999	1.3
143.03387	3.7
143.04942	2.7
145.02814	1.3
145.06508	21.5
147.04391	5.8
149.02365	3.7
149.31256	1.3
151.00273	35.1
153.01880	1.8
155.08618	1.1
157.06555	1.4
159.04475	1.4
159.85652	1.1
164.01079	1.5
167.03439	6.6
171.04443	13.5
172.05185	6.5
173.02336	1.7
173.06010	10.6
175.03909	2.2
177.01794	1.9
178.99785	2.9
179.03423	1.0
183.08121	5.4
185.05949	1.4
187.03987	3.7
187.07660	1.6
190.04620	1.2
199.04010	2.2
200.04736	2.4
201.01830	1.3
203.03484	6.4
203.07082	2.1
211.07613	2.7
212.04817	1.5
213.01941	1.8
213.05560	3.3
214.02701	3.0
215.03595	3.2
215.07085	55.8
216.07480	3.4
227.07056	8.1
229.01393	1.2
229.08759	1.6
231.02997	2.5
238.06223	1.2
242.02081	3.4
243.02945	6.1
243.99965	1.5
255.06602	97.6
256.06955	6.0
259.02484	8.3
269.08258	3.4
270.01712	2.7
271.02478	19.6
271.09973	1.3
273.07797	7.2
273.62317	1.4
287.01990	27.9
287.04977	1.9
297.07712	7.1
299.99127	13.1
300.10004	10.5
315.01465	36.4
315.08801	100.0
315.12411	15.6
316.02197	31.8
316.09116	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	315.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03323	0.8
59.01253	1.2
65.00198	0.8
66.39649	0.3
67.01759	0.8
68.99684	1.8
69.03323	2.0
70.15578	0.2
71.01274	0.4
71.04903	0.7
79.01767	0.9
79.05372	0.5
80.02551	1.3
81.03330	18.5
82.03690	0.2
83.01254	6.4
85.02821	0.9
87.00770	0.8
93.03336	7.2
95.01267	1.1
95.04901	21.4
96.05252	0.6
97.02830	6.7
99.04395	10.4
100.04709	0.3
105.03345	1.4
107.00657	0.2
107.01240	1.3
108.02042	1.1
109.02830	0.8
109.06464	0.5
111.04340	0.3
111.36320	0.2
115.05417	0.5
117.03340	0.3
119.04915	12.3
120.05251	0.2
120.99543	0.2
121.02841	2.9
121.06494	0.8
122.03632	2.8
123.00775	0.9
123.04409	19.4
124.01554	0.7
124.04745	0.4
125.02334	23.1
126.02676	0.5
127.03905	0.3
135.00797	0.3
135.04445	1.6
137.02386	1.1
137.05981	22.2
138.06337	0.7
139.03911	5.5
141.05461	1.7
143.04912	0.4
145.02859	0.4
145.06503	1.7
147.04427	3.5
148.01524	0.2
149.02353	1.1
149.06007	0.8
150.02953	0.2
151.00276	1.1
151.03906	0.3
152.01175	0.4
153.01846	0.5
153.05476	0.5
155.08553	0.5
159.04420	0.5
161.02316	0.5
161.06009	0.6
163.03893	0.9
163.07553	1.0
164.04715	0.5
165.01854	1.4
165.05479	10.8
166.05748	0.3
167.03410	56.8
168.03777	1.7
171.04399	0.6
172.05200	0.2
173.05951	0.4
178.99759	0.3
179.03342	1.0
180.04233	0.5
181.05006	3.1
187.03926	0.6
187.07545	0.4
189.01793	0.3
189.05501	7.1
190.05829	0.3
191.03418	0.6
193.01343	0.9
193.05000	0.4
199.03944	0.2
199.82048	0.2
203.03430	0.5
205.08755	0.3
209.04491	24.9
210.04814	1.2
213.01941	0.2
214.02718	0.3
215.03625	0.3
215.07112	1.6
216.07324	0.3
221.04460	2.2
225.09102	0.4
227.07057	0.3
228.07727	0.2
229.08652	0.7
231.06589	0.9
243.02943	0.5
247.09735	0.5
253.08495	0.2
255.06548	1.2
259.02502	0.5
271.02567	1.5
271.09793	1.0
287.01941	1.8
297.07501	0.2
299.99014	0.7
315.01282	2.5
315.08734	100.0
316.02283	2.6
316.09021	7.0
316.12726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.78756	0.5
59.01244	1.3
63.02261	6.8
65.00188	3.7
65.08043	0.5
71.01234	0.5
71.49223	0.6
79.01752	0.6
79.26868	0.5
83.01243	5.2
83.93452	0.5
87.00756	1.1
87.50159	0.6
89.42096	0.5
94.46940	0.6
95.01267	0.6
97.02818	0.7
107.01267	11.9
108.02071	2.7
111.00760	0.7
115.08805	0.6
116.01150	0.5
117.03328	0.6
119.04913	0.7
120.02077	0.6
123.00747	0.8
123.04399	0.6
124.01550	2.5
125.02387	0.7
135.00772	0.8
136.01537	1.6
139.40334	0.5
145.02855	0.7
148.01544	4.4
149.99475	1.8
151.00264	18.6
152.00783	0.7
153.01865	0.9
153.05466	2.1
163.00282	2.8
164.01033	5.6
165.01674	0.8
168.36166	0.6
169.01352	3.2
171.04453	0.9
172.05222	1.0
175.03983	0.6
178.99797	0.9
183.04523	0.7
189.01793	0.9
199.03896	0.7
200.04739	1.1
215.03441	1.5
215.07062	1.8
216.04184	1.6
217.54391	0.6
226.02646	0.7
227.03435	2.8
243.02948	2.3
244.03456	0.9
251.92490	0.6
255.03006	3.7
255.06697	1.3
259.02310	1.4
271.02475	7.3
272.03040	1.5
283.02509	3.6
287.01971	2.7
299.02164	1.0
300.02731	77.8
301.03149	4.6
315.01828	3.7
315.05084	100.0
315.15674	5.2
316.02090	2.0
316.05423	8.6
323.50952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02275	0.1
65.00200	0.2
70.78606	0.3
83.01292	0.1
85.02856	0.1
87.00797	0.1
88.89495	0.1
107.01302	0.2
108.02065	0.2
117.03316	0.1
119.05013	0.2
120.02019	0.1
123.00771	0.2
123.04455	0.1
124.01572	0.2
125.02326	0.3
132.02083	0.5
135.00809	0.2
136.01601	0.1
137.02364	0.1
141.01808	0.2
143.04922	0.2
144.02045	0.5
145.02780	0.2
147.00797	0.2
148.01584	0.5
149.99461	0.1
151.00288	0.5
159.04427	0.2
160.01564	1.5
161.02278	0.2
163.00293	0.2
164.01073	0.3
164.08382	0.1
171.04393	0.2
172.01575	1.4
175.00282	0.1
175.03966	0.1
176.01088	0.5
178.99840	0.2
179.61273	0.1
187.00375	0.1
187.03891	0.2
188.01060	1.2
199.00307	0.1
199.03949	0.2
200.01082	2.6
201.01482	0.1
203.03412	0.3
204.00595	0.1
213.01924	0.1
214.02672	0.3
214.99837	0.2
215.03479	0.3
215.07040	0.2
216.00589	4.4
217.00967	0.3
226.99773	0.7
228.00587	0.6
230.99377	0.2
231.02954	0.2
232.00014	0.2
241.01244	0.1
242.02141	0.2
242.99295	2.4
243.02922	0.4
244.00063	3.5
245.00385	0.1
254.99219	0.2
255.06612	0.2
259.02487	0.6
270.98834	1.5
271.02469	1.2
271.99600	0.8
282.98859	0.6
287.01944	2.2
288.02545	0.1
298.98334	1.5
299.99097	100.0
300.99448	6.2
301.02975	0.2
311.49911	0.1
315.01453	57.0
316.01874	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	315.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
56.34193	0.6
57.03322	3.3
59.01247	1.0
59.51260	0.5
65.00185	2.1
71.20370	1.3
77.03420	1.1
77.03836	10.8
79.01768	25.4
83.01254	1.3
87.00740	1.2
93.03345	5.0
96.95892	1.2
97.02830	6.9
99.07985	0.7
107.01243	1.0
109.02856	4.5
119.04875	1.0
121.02847	47.7
122.03171	1.1
123.04385	1.7
124.01521	1.1
125.02339	23.1
137.02347	3.0
139.03908	3.0
145.02837	1.3
145.06451	1.3
147.04456	0.9
149.02327	6.2
151.00285	2.0
151.03859	0.7
153.01817	0.9
153.05434	0.8
159.04439	1.3
161.02319	1.7
162.77914	0.7
163.03917	1.0
164.01088	1.3
165.01848	63.3
166.02174	2.2
167.03392	0.9
167.07051	2.8
171.04440	0.7
173.06070	1.4
175.03868	1.0
177.01865	2.0
178.02614	1.7
183.02881	5.5
187.04005	1.4
193.01363	21.9
193.03972	0.9
194.01564	1.4
199.03877	0.9
201.01881	0.7
201.05620	0.7
203.03412	1.9
207.02934	1.8
214.02641	1.0
214.43523	0.7
215.03383	2.0
215.07016	3.4
220.49413	0.7
228.04059	0.8
242.02072	1.4
243.02946	2.9
243.06613	1.7
255.06647	1.7
259.02457	2.9
259.06085	1.2
270.01596	1.3
271.02451	8.6
271.05466	1.1
271.13376	1.0
273.10440	1.8
287.01965	10.0
287.05591	3.3
299.99182	1.5
313.03510	0.8
315.01553	9.5
315.05078	100.0
315.12512	4.4
316.02142	11.9
316.05490	6.8
335.75552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0144
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
63.02266	3.8
65.00193	3.5
69.27084	5.0
77.51287	0.5
80.23527	0.6
83.01242	1.3
95.01302	0.6
103.59682	0.5
107.01275	4.2
108.43115	0.5
115.05411	2.0
117.03388	1.1
123.00709	0.6
124.01543	2.1
125.02328	6.5
131.04916	2.2
133.02847	1.1
133.38243	0.5
135.00783	2.5
135.04442	0.5
137.02354	0.6
141.03389	0.8
143.04936	4.3
145.02864	2.7
147.04417	1.3
149.02327	3.6
151.00269	5.6
157.02806	1.3
158.03624	0.6
159.04416	5.6
161.02347	2.3
163.00233	2.6
163.04005	0.8
164.01065	1.5
165.01753	0.8
168.88297	0.5
169.01389	0.5
169.02895	1.8
171.04445	4.4
173.02373	2.6
174.34595	0.5
175.03928	4.2
177.01811	1.0
178.99831	1.3
185.02342	2.2
186.03200	0.6
187.03920	8.6
189.01833	1.4
191.03380	2.6
195.55225	0.5
197.02365	2.4
198.03046	0.7
199.03889	2.8
201.01872	1.1
203.03413	10.1
213.01826	7.7
214.02562	4.7
215.03436	10.1
217.01395	2.6
219.03093	1.0
226.02571	0.6
227.03523	1.3
227.60124	0.6
229.01337	1.1
230.02235	1.0
231.02951	6.3
232.03513	0.7
241.01413	3.6
242.02132	5.3
243.02931	11.9
245.00851	0.9
258.01694	0.8
259.02451	19.9
260.02698	0.8
269.00778	1.3
270.01672	2.9
271.02472	22.7
287.01959	95.5
288.02316	6.3
297.00424	1.1
298.01089	0.8
315.01447	100.0
316.02155	41.3
325.29251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0143
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
50.60955	0.5
54.67120	0.5
59.01247	1.4
63.02262	4.0
64.59045	0.4
65.00185	2.5
68.99680	0.7
70.82630	0.8
70.82980	1.2
71.01252	1.1
83.01244	1.4
89.42820	0.5
95.01267	1.2
105.88375	0.5
107.01251	4.7
108.02034	0.5
109.99965	1.2
111.00760	3.0
115.05403	1.0
117.03358	1.0
119.04896	1.1
119.86465	0.5
121.02795	0.9
123.00777	4.4
124.01559	1.4
125.02323	13.9
127.00233	1.0
131.04919	2.1
133.02849	1.0
135.00775	1.8
136.98700	1.2
137.02315	1.1
139.00285	3.8
140.01013	3.7
141.03360	0.7
143.04938	3.7
145.02866	1.8
147.04381	1.3
149.02385	3.1
151.00256	6.1
153.01859	0.8
157.02824	0.6
158.03662	0.8
159.04399	5.5
160.01598	0.8
161.02333	1.6
163.00259	2.9
163.03889	0.5
164.01086	2.8
165.01831	0.7
165.98952	1.4
166.99724	0.6
167.03360	0.8
168.00534	4.4
169.01363	11.0
169.02821	1.9
171.04413	4.0
172.01514	0.6
173.02357	2.7
174.02774	0.5
175.03972	2.7
177.01868	0.8
178.99739	1.0
185.02353	1.3
187.03908	7.0
189.01891	2.1
191.03423	2.1
192.00523	0.7
193.01337	1.1
197.02327	1.6
199.03862	0.8
200.01041	1.6
201.01801	1.0
203.03423	7.1
211.02357	3.7
213.01907	6.6
213.03864	0.8
214.02565	2.4
215.03442	7.6
216.00569	1.8
217.01332	1.6
219.02853	0.8
227.03613	0.6
229.01283	0.7
230.99402	0.7
231.02919	5.4
241.01373	3.7
242.02167	3.2
243.02954	7.2
244.00139	1.0
258.01611	1.3
259.02448	14.6
269.00739	0.7
271.02472	8.0
287.01962	66.6
288.02469	4.3
297.00415	0.7
297.06131	2.6
298.06512	0.6
298.98441	0.6
299.99078	31.2
300.99423	1.8
303.01419	0.6
310.73981	0.5
315.01450	100.0
315.06873	12.3
316.02042	18.2
316.06024	0.8
316.07495	0.8
322.04242	0.6
331.00836	0.9
332.01758	4.1
333.02341	5.3
334.02783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02264	3.0
65.00180	2.0
69.43304	1.1
69.43739	1.4
75.13335	0.4
83.01248	1.2
86.88843	0.3
89.00202	0.5
91.01770	0.5
93.03350	0.3
95.01275	0.6
107.01264	3.0
115.05416	1.4
116.88285	0.3
117.03339	1.1
119.04895	0.6
123.00771	0.7
124.01507	0.8
125.02339	5.9
131.04930	2.2
135.00758	2.5
135.04362	0.4
137.02319	0.7
139.41408	0.3
141.03392	0.5
143.04930	4.0
145.02876	1.6
147.04430	1.1
149.02330	3.1
151.00255	4.1
152.01031	0.5
155.04947	0.4
156.13844	0.3
157.02824	0.4
159.04417	4.8
161.02354	1.8
161.05975	0.5
161.99396	0.4
163.00282	2.2
163.03880	0.7
164.01021	1.3
165.01845	0.5
169.01498	0.5
169.02815	2.0
170.03456	0.4
171.04408	2.7
173.02338	2.7
174.03004	0.4
175.03954	2.8
177.01854	0.7
178.99767	0.4
185.02351	1.0
186.03078	0.4
187.03931	6.6
189.01903	1.1
191.03378	2.4
197.02327	1.6
198.03227	0.4
199.03963	1.5
201.01837	1.4
202.02600	0.3
203.03444	7.6
213.01868	6.0
214.02594	2.5
215.03476	7.3
217.01295	1.6
219.02948	0.7
224.82407	0.3
227.03531	0.3
229.01411	0.9
231.02933	5.6
241.01395	3.9
242.02190	4.3
243.02950	8.7
245.01003	0.7
258.01642	0.9
259.02454	14.5
260.02771	1.0
269.00876	1.3
270.01675	1.0
271.02481	10.5
287.01965	82.4
288.02267	5.5
297.00449	0.7
298.01144	0.5
315.01456	100.0
316.02078	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	313.1081
Annotation	STEMOFURAN P
Peak:m/z	Relative Intensity
55.01719	0.7
59.01249	26.9
68.99667	1.7
69.40218	4.4
74.87440	0.5
79.01752	0.6
83.01259	1.2
84.80389	0.5
85.06432	1.9
95.01270	0.7
97.06440	1.4
98.19819	1.2
101.03838	0.9
109.02822	0.8
109.06417	0.7
111.00763	7.5
111.04371	2.1
113.05954	4.9
114.19327	0.5
117.03348	1.6
119.08506	0.7
122.03595	1.8
124.01572	2.7
131.04938	0.8
137.02335	3.3
137.05959	3.0
139.00264	11.2
139.03914	8.8
140.00580	0.7
140.04210	0.8
141.04446	1.0
141.05469	12.9
145.06487	1.5
147.04401	1.9
148.05182	3.5
151.00343	0.5
151.03819	0.9
151.18990	0.6
152.00993	0.7
152.04666	0.8
156.05693	2.1
157.06462	2.4
163.07567	5.3
165.05473	0.6
167.03462	1.0
171.04440	10.4
171.08069	0.6
172.04968	0.6
173.06000	23.4
174.06396	1.1
179.07057	5.7
181.04927	1.2
183.08032	1.1
198.06786	1.1
199.07527	1.2
199.11143	0.9
207.06590	4.1
225.12817	1.6
226.09929	0.7
227.10664	1.5
235.07652	1.2
236.08382	1.4
239.06892	0.8
241.12349	1.0
243.06642	1.5
251.10722	2.2
253.08727	2.1
254.09447	2.7
256.07352	0.8
267.10223	2.2
269.11835	7.5
270.09036	5.3
271.09738	100.0
272.10101	8.4
295.09726	1.8
313.10815	65.7
314.11115	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10701	1.6
56.41464	1.3
56.46174	1.4
59.01248	20.5
59.68311	1.4
68.99673	1.6
69.47887	11.4
83.01231	3.8
95.01257	2.1
95.04916	2.0
98.19882	3.2
108.02023	4.5
109.06502	2.9
111.00771	16.1
111.04414	1.8
112.80529	1.6
113.05927	3.8
117.03355	1.9
121.02853	1.9
121.06467	2.8
122.03628	3.0
124.01534	5.5
125.02325	1.8
126.46548	1.5
131.04881	2.6
137.02321	6.0
137.05983	14.1
139.00270	5.6
139.03896	17.5
141.05463	7.0
141.13330	1.4
141.30989	1.5
145.06479	6.2
147.04395	2.0
148.05194	8.6
151.00302	1.8
155.04929	2.3
156.05713	4.3
157.01329	3.1
157.06522	18.0
158.06859	1.8
163.07564	16.8
163.67363	1.7
164.04688	2.3
165.05449	4.2
167.03365	2.0
171.04414	5.3
172.05122	1.8
173.05983	44.7
174.06403	3.5
179.07047	18.0
180.07376	1.7
183.04385	2.4
183.35393	1.7
184.05151	2.7
194.02324	1.4
197.09654	2.5
198.06795	2.8
199.07558	5.4
199.11201	3.6
201.05577	2.9
207.06566	14.6
209.09732	2.4
210.06738	2.1
211.48686	1.5
215.07080	4.1
215.10745	5.9
223.01913	1.4
225.09109	2.8
225.12715	1.6
227.10718	6.2
229.08658	1.8
238.06422	2.3
243.06595	73.9
244.06947	4.0
251.10774	1.7
253.08646	34.0
254.09090	6.3
269.11823	11.1
271.09735	100.0
272.10095	7.3
283.86050	1.9
285.11261	5.8
286.11823	1.8
286.15884	1.4
295.09641	1.8
313.10831	41.1
313.14035	1.9
314.11084	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	313.1078
Annotation	Syzygiol
Peak:m/z	Relative Intensity
51.02246	0.6
55.01763	1.5
57.62141	0.7
59.01254	4.0
68.72642	0.6
69.40408	0.6
71.01245	1.9
71.49380	1.1
79.01760	49.4
80.02072	1.2
86.15052	0.7
89.02319	1.4
93.03358	4.0
93.55739	0.7
109.02827	2.9
111.00762	1.1
111.04423	0.7
119.03490	0.8
119.04921	18.9
120.05249	0.9
121.02815	1.6
121.06461	1.2
125.05917	2.1
133.74442	0.6
137.05933	1.8
139.03848	1.0
139.11192	0.7
140.34923	0.7
145.02835	1.5
148.05217	2.1
149.05978	45.7
150.06335	3.1
154.39993	0.6
157.06458	0.8
163.07549	5.3
167.07063	1.9
171.04454	1.0
173.05995	1.6
179.07024	5.0
193.04984	65.1
194.03714	0.8
194.05309	3.8
207.06497	4.9
211.07613	1.5
227.10715	5.8
269.11801	2.9
270.08914	0.7
271.09747	22.0
272.10138	1.3
295.22684	1.0
313.10806	100.0
313.23792	10.4
314.11118	7.6
314.24323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1079
Annotation	STEMOFURAN P
Peak:m/z	Relative Intensity
59.00966	1.5
59.01245	23.2
60.11922	0.8
67.02302	1.0
68.99669	2.1
77.19540	0.9
83.01215	1.0
85.06485	1.1
95.01231	1.4
98.19791	2.2
111.00746	6.3
113.05967	5.0
117.03351	1.1
117.74812	1.0
124.01556	2.5
131.04897	0.9
137.02318	2.6
137.05960	1.4
139.00256	13.8
139.03905	7.3
139.56042	1.1
141.05463	16.5
145.06505	2.1
147.04399	2.5
155.04802	1.0
156.05656	1.6
157.06505	4.0
171.04393	15.1
172.04819	0.9
173.05989	19.2
174.06223	1.0
199.07489	1.2
227.10667	2.0
229.07819	1.1
229.99475	0.9
232.55148	1.0
243.06580	1.9
251.10674	2.7
253.08774	1.7
254.09377	2.4
258.34271	1.0
267.10178	1.7
269.11804	8.7
270.09119	5.8
270.11700	1.7
271.09717	100.0
272.10056	7.0
295.09525	1.7
313.10791	66.5
314.11072	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	313.1079
Annotation	STEMOFURAN P
Peak:m/z	Relative Intensity
59.01250	41.2
61.20496	0.6
61.77870	0.7
63.34995	0.6
68.99676	2.4
69.23718	0.6
69.54736	0.6
69.63612	0.6
70.26571	2.8
71.01262	1.3
71.02771	0.6
74.98946	0.7
76.22253	0.6
85.06424	0.8
87.04400	0.8
89.02297	1.2
89.04132	1.4
93.03421	0.8
97.06462	1.6
101.02312	0.8
101.03866	1.2
109.02830	1.8
110.29520	0.7
111.00774	7.5
111.04372	2.0
113.05970	6.9
117.03330	2.1
121.02840	1.1
122.03613	0.9
124.01524	2.3
129.07005	0.8
131.04877	1.3
137.02350	4.4
137.05945	2.2
138.99260	1.4
139.00269	13.0
139.03906	9.9
141.05475	15.8
145.02823	0.6
145.06464	2.0
147.04436	2.0
149.00862	1.6
149.96062	0.6
151.00252	0.8
156.05641	2.1
157.06474	3.3
165.01767	1.2
167.03395	2.1
171.04427	15.0
172.04964	1.3
173.05992	26.5
174.06326	1.8
181.04822	0.7
191.07094	0.9
199.07452	0.7
207.06506	1.0
215.06992	0.9
223.02754	11.5
224.02890	1.6
225.09273	0.9
225.12758	1.1
227.10693	2.5
235.07635	0.9
241.12224	1.3
243.06575	3.1
251.10719	2.3
252.07788	1.1
253.08757	2.2
253.21576	0.8
254.09456	2.0
267.10251	2.7
269.11850	7.8
270.08954	5.5
270.11719	1.2
271.09738	100.0
271.22714	7.0
272.10092	9.1
295.09766	2.2
297.04660	1.2
313.10815	69.9
313.23737	3.7
314.11072	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	313.1077
Annotation	Syzygiol
Peak:m/z	Relative Intensity
50.26385	0.7
55.01763	0.8
57.01491	0.7
59.01250	38.1
65.00176	0.9
68.99677	0.9
71.01248	1.5
79.01768	1.2
89.02309	1.3
89.37126	0.6
95.01258	1.9
97.49991	0.7
101.02338	1.3
107.01240	1.4
108.02039	1.0
109.02847	1.1
109.67490	0.9
111.04359	0.8
113.05930	1.4
118.15977	0.6
121.02854	2.9
122.03640	0.9
123.00776	1.8
123.04532	0.7
124.01483	0.9
125.02296	1.1
135.00792	2.0
135.04411	2.0
136.01544	9.5
137.02319	2.8
137.05969	1.4
138.03127	8.6
139.03763	1.1
139.11151	1.4
141.05498	1.3
147.04398	0.8
148.05168	2.2
151.00208	0.8
163.00259	1.1
163.03897	0.9
163.07518	2.3
164.01054	6.6
165.01831	13.3
165.05484	1.4
166.02629	22.6
167.03084	2.0
170.02101	2.2
171.04417	1.9
173.05960	3.0
177.01955	0.9
179.03358	1.7
179.07033	3.5
181.01318	5.4
193.01334	9.4
194.02135	16.0
207.03130	0.8
207.06598	2.8
207.99991	0.9
209.00955	0.8
209.04501	1.3
226.01137	6.9
240.07831	1.1
241.08575	0.9
252.07932	2.5
253.08954	1.4
253.21645	1.9
267.06555	1.2
268.07452	2.0
269.08029	0.8
269.11893	1.8
271.09741	10.7
271.22806	13.8
272.10175	1.0
272.23206	1.2
280.07422	0.8
281.08072	1.7
283.09726	8.1
295.06088	2.2
295.09720	4.3
297.04474	1.3
297.07672	11.4
298.08292	2.5
311.09082	0.9
313.10815	100.0
313.23785	6.5
314.11127	10.9
314.27011	5.4
333.79172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
54.29751	0.2
55.01756	0.3
59.01253	0.6
66.70394	0.2
68.99673	0.3
71.48964	0.2
74.56328	0.2
79.01771	2.1
93.03370	0.4
109.06451	0.5
111.04391	0.3
119.04903	4.8
119.08598	0.5
121.02844	100.0
122.03101	2.5
125.06013	0.3
136.05211	0.3
137.05986	3.5
139.07570	0.3
141.05475	0.3
145.02867	0.7
147.04385	1.1
148.05196	7.4
149.05986	2.0
151.07550	0.4
151.24429	0.2
163.07552	13.1
164.04706	1.1
164.07887	0.6
167.03438	0.3
167.07063	1.5
171.04433	0.5
173.05972	0.3
174.35497	0.2
179.07053	13.2
180.05727	1.0
180.07266	0.4
181.05096	0.2
181.06516	4.2
182.06870	0.3
187.03937	0.4
193.04980	4.5
194.05356	0.2
207.06563	11.1
208.06911	0.6
211.07703	0.3
225.05527	6.5
226.05869	0.3
241.12260	0.3
269.08481	0.3
269.11826	1.0
271.09753	0.9
313.07175	14.2
313.10846	11.4
313.23737	0.3
314.07513	1.3
314.11191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.5
59.01262	1.2
70.78862	0.5
70.79209	1.1
71.01253	18.5
83.01261	1.0
85.02823	0.7
89.00201	1.8
89.02292	0.5
91.01762	0.9
101.02349	0.8
106.00479	2.0
111.00806	0.7
115.00253	11.0
121.02842	34.0
122.03179	1.7
123.00753	2.4
127.00265	0.9
133.01303	0.8
136.98695	0.7
138.03101	2.9
139.00291	0.9
151.07555	2.3
153.05473	29.9
154.05832	1.4
166.99739	1.4
167.14810	0.5
179.61781	0.5
182.02112	4.3
197.04482	100.0
198.04846	4.9
249.11349	0.5
313.12881	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	313.0596
Annotation	(+)-Bornyl diphosphate
Peak:m/z	Relative Intensity
58.00458	0.4
58.43676	0.4
59.01246	3.3
71.01247	1.5
71.48496	0.5
72.99171	0.5
79.95613	1.1
85.02826	0.6
89.02312	1.5
96.95882	100.0
101.02325	1.3
105.26952	0.4
108.02064	0.8
109.02824	0.5
109.06480	0.9
113.02329	0.6
119.03439	0.6
125.02344	0.4
125.09633	1.8
127.07525	0.9
151.05983	0.5
153.09067	0.5
155.03406	0.6
156.89479	0.5
169.38377	0.4
171.10207	3.4
173.08098	7.3
174.08450	0.4
191.05545	0.6
215.09189	1.6
233.10251	12.4
234.10533	0.7
313.05957	24.5
313.11194	0.7
314.06284	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	313.0715
Annotation	Pinobanksin 3-O-acetate
Peak:m/z	Relative Intensity
55.01749	2.9
57.03323	2.0
57.30923	1.1
58.97158	1.2
59.01258	4.4
59.02838	1.1
67.01772	1.2
68.99690	9.8
69.13853	13.4
71.08797	1.0
71.55104	1.1
79.01759	1.9
83.01257	6.4
85.02794	1.7
87.86192	1.2
95.01267	3.2
97.02821	1.5
98.20516	2.6
99.00780	1.8
99.08037	3.0
101.03857	2.7
109.02850	2.3
109.06477	1.8
111.00765	21.8
113.02274	1.9
115.05446	1.1
119.04894	1.7
119.08620	1.2
122.03635	3.0
123.00739	6.5
123.04441	2.1
127.05401	1.5
131.04926	1.6
137.05989	12.4
138.03145	1.5
139.00285	1.5
139.03908	4.2
139.07613	1.4
141.01828	10.1
141.05475	2.7
145.06493	2.9
147.04433	6.3
148.05203	28.3
148.23390	1.1
149.02347	1.7
151.03870	2.2
151.07556	1.4
155.08533	2.0
157.06462	3.1
163.07553	53.7
164.04720	4.0
164.07878	1.9
167.07042	17.8
171.04425	36.8
172.04950	2.2
173.06033	7.9
179.07060	54.2
180.07326	1.5
183.08029	1.8
185.00819	2.2
185.06110	1.5
198.06847	1.7
199.03932	2.3
199.07591	2.0
200.04710	2.9
207.06543	43.1
208.06932	2.2
215.07085	2.5
217.05095	2.4
225.05553	2.7
225.09119	2.8
226.06337	1.6
239.07103	5.4
241.05008	2.4
241.08682	2.9
242.05830	1.5
243.06621	12.6
253.08934	1.3
267.06592	8.2
269.08151	3.2
271.06119	48.7
271.09650	6.2
272.06387	3.7
274.04871	4.6
285.07574	1.5
313.07153	100.0
313.10834	51.6
314.07477	6.8
314.11066	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	311.0984
Annotation	Vicianose
Peak:m/z	Relative Intensity
57.03283	3.2
59.00961	5.2
59.01246	90.3
61.83477	3.5
70.83424	9.2
71.01248	58.7
72.99151	4.2
73.02806	25.8
85.02791	6.0
89.01762	5.4
89.02309	100.0
95.06513	3.3
97.52852	3.5
99.00751	58.9
101.02325	62.2
113.02309	7.4
119.03337	3.9
121.02803	4.1
125.02332	3.6
131.03391	15.8
144.88084	3.3
149.04471	47.0
161.04420	6.7
191.05510	25.9
208.07928	3.7
252.07820	3.9
279.06677	6.5
279.35562	3.8
296.06589	3.3
311.05594	5.9
311.09061	8.4
311.22153	7.2
311.29318	4.8
328.88382	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.57351	1.0
55.93969	1.1
57.03318	2.4
58.00449	1.1
59.01240	4.6
70.41249	3.4
76.33386	1.0
99.08005	2.5
113.09593	4.0
124.62974	1.0
129.09102	8.1
151.11293	1.2
153.12791	1.0
154.94060	1.1
169.12260	3.4
171.10210	1.7
181.12187	5.0
183.13814	3.4
193.12289	2.1
197.11734	16.5
198.12080	1.1
199.13303	8.1
211.13329	27.2
212.13708	1.4
253.14223	1.1
265.21790	1.1
275.20105	2.2
293.21191	20.2
294.21472	1.5
311.22263	100.0
312.22577	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	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03311	3.6
59.01245	7.0
62.92415	1.2
71.01253	2.0
71.49005	1.9
99.08014	3.0
113.09597	1.7
113.70403	1.3
121.10126	1.4
127.11185	3.5
129.09088	5.6
139.11134	7.0
151.11182	1.5
155.10745	1.9
169.12222	3.1
171.10175	36.7
181.12335	1.9
183.10153	2.5
183.13748	1.6
185.11794	5.9
193.12354	2.4
195.69276	1.2
197.11728	6.6
199.13361	3.4
201.11272	8.0
211.13286	13.2
212.46739	1.3
275.20029	3.0
283.09299	1.5
293.21198	16.1
294.21646	1.8
311.09149	3.4
311.13235	2.8
311.16629	4.6
311.22250	100.0
312.22568	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
58.00456	2.0
59.01246	4.7
60.58583	0.9
69.03315	1.7
69.20547	7.9
71.01257	2.0
73.02856	1.4
90.09761	1.0
96.95878	1.1
97.06473	1.2
111.08040	32.3
111.08810	1.5
127.07523	2.2
131.83908	1.0
148.79121	1.1
151.03906	3.1
151.07535	5.0
151.11139	1.8
152.08287	3.2
153.12802	2.0
169.12329	6.5
171.10117	1.4
179.10738	1.1
181.12218	2.4
183.13867	1.5
183.84482	1.0
197.11766	100.0
198.12201	6.3
199.13319	3.6
209.15402	7.0
211.13359	9.4
227.12802	2.9
252.10127	1.4
263.20163	7.6
265.18143	4.5
273.18652	1.8
291.19659	18.5
294.12662	1.2
309.17102	10.5
309.20715	36.3
310.21005	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	311.0984
Annotation	Vicianose
Peak:m/z	Relative Intensity
58.00462	4.0
59.01244	84.9
65.12251	3.9
69.45227	33.0
71.01254	58.1
71.24224	3.6
72.99169	4.6
73.02814	28.2
81.14993	3.8
83.01271	5.2
85.02819	8.9
89.02318	100.0
98.19810	8.6
99.00752	46.6
101.02323	41.0
104.28181	3.7
113.02329	7.1
131.03430	12.1
149.04443	33.5
163.95226	4.0
179.03427	5.3
186.06790	4.9
191.05559	15.8
210.51242	4.2
221.89539	3.7
311.29572	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	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03339	1.9
59.01257	8.2
64.22832	1.3
69.03322	2.6
70.24720	1.2
70.25085	4.8
71.01238	2.6
71.04902	3.9
73.02808	2.7
78.92066	1.1
79.81509	1.1
83.04874	1.5
85.06457	1.8
95.04932	1.1
97.06447	2.6
99.00748	2.1
101.02264	1.4
109.06425	2.7
111.08039	37.5
112.08352	1.7
113.02271	1.3
127.07510	1.9
135.07892	1.0
147.06476	1.4
151.03949	5.7
151.07544	10.3
152.08344	10.1
153.12761	1.5
169.12212	6.8
171.10211	2.0
179.10732	1.4
181.12256	2.1
183.13870	2.5
184.07333	1.5
189.16362	1.6
190.09959	1.2
193.12292	1.3
195.13867	2.7
197.11761	100.0
198.12157	6.5
199.13284	3.0
207.17563	1.6
208.10921	1.4
209.13414	2.8
209.15413	51.7
210.15721	2.5
211.13319	9.7
221.15443	4.8
223.16971	17.7
224.17343	1.7
227.12946	2.6
233.15453	11.7
239.16467	2.1
247.20720	1.6
251.16493	29.3
252.09914	3.9
252.16875	2.6
263.20084	6.0
265.18094	6.3
273.18600	4.5
291.16370	2.5
291.19641	31.2
292.19827	2.2
294.12546	1.3
309.17035	31.5
309.20703	54.9
309.24359	2.7
310.17343	3.8
310.21103	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	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.56339	0.4
59.01243	1.0
65.51638	0.4
69.12434	0.4
71.01243	0.7
71.12682	1.0
73.79700	0.4
111.64681	0.4
117.97116	0.4
157.32938	0.4
166.88632	0.5
246.99341	0.4
307.22775	100.0
308.23123	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	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
54.87870	5.1
57.03312	8.0
59.01258	33.1
71.01251	27.8
71.48933	7.6
81.03282	4.9
81.72385	5.4
81.77361	4.8
84.84526	4.1
85.02797	8.7
88.58347	4.4
95.04922	5.6
97.06455	16.8
97.76980	4.0
101.02332	8.1
103.03881	7.5
109.06429	6.7
111.08035	6.6
121.02850	4.9
121.58361	4.5
123.04398	8.0
137.09515	5.3
149.09651	5.0
151.11166	18.2
155.10687	9.4
161.04469	9.7
163.11188	9.8
165.12737	15.5
179.10649	8.6
181.12253	23.7
183.42975	4.3
191.10648	8.9
191.14314	9.6
192.13086	4.8
204.29131	4.6
209.11766	53.4
210.19019	4.4
211.13339	12.6
245.19141	25.5
263.20227	10.6
274.63797	4.7
289.18121	47.5
291.14368	4.3
306.85663	4.6
307.10187	19.4
307.19104	100.0
308.19482	6.9
316.86905	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	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.61718	1.7
51.65705	2.0
53.57444	1.7
56.51661	2.0
57.03324	5.2
59.01250	18.7
69.03333	2.2
70.01333	6.9
71.01249	9.8
79.95613	2.9
81.03312	6.0
81.83942	1.8
83.01263	6.6
83.04895	4.0
85.02834	4.7
93.03356	2.9
95.01278	2.8
95.04936	3.9
97.02825	6.3
97.06465	10.7
98.20490	2.0
101.02333	3.4
103.03889	4.7
104.25558	1.6
104.36887	1.7
109.06516	3.3
121.06516	3.5
123.03671	2.0
123.04417	12.1
123.08049	4.5
125.05965	2.8
125.09619	18.5
135.08029	3.2
137.09616	12.7
141.12782	3.9
142.02626	2.0
149.05994	3.1
161.04449	3.6
161.09647	2.3
163.07680	2.3
163.11176	16.1
165.12776	3.9
171.10175	2.9
179.10756	3.1
181.05028	2.7
181.12265	5.7
185.11760	21.4
191.10654	4.0
191.14348	23.0
192.14676	2.8
207.10271	11.9
209.11781	35.6
217.15961	2.6
225.11345	8.3
233.15446	6.4
243.17628	2.8
245.19061	43.1
246.19406	2.4
263.20187	4.8
271.16904	5.1
272.64563	1.9
289.18100	100.0
290.18448	9.7
307.10196	8.9
307.13504	2.4
307.19165	58.1
307.22675	4.6
308.19180	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	307.1397
Annotation	NSC-224070
Peak:m/z	Relative Intensity
51.25308	0.8
52.71226	0.6
55.01739	1.0
57.03300	0.9
58.00450	3.0
59.01250	44.3
60.01571	0.7
61.39707	0.6
64.49265	0.7
71.01253	24.4
72.99167	2.4
73.02813	1.9
83.01260	2.0
85.02813	5.9
87.00746	1.6
89.02318	21.5
95.01255	2.4
99.08033	24.1
100.08343	0.8
101.01639	0.7
101.02316	15.1
102.02662	0.7
111.00768	0.8
113.02323	9.0
119.03378	8.9
122.86054	0.6
127.07529	3.3
129.09108	1.6
134.18820	0.6
141.09084	2.0
145.08601	67.5
146.08920	2.3
155.96407	0.8
161.04463	1.0
179.05533	1.3
187.09720	2.2
229.09738	0.7
276.86200	0.7
307.13962	100.0
308.14355	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20960	0.2
54.74503	0.2
56.42049	0.3
59.01247	1.0
59.96593	0.3
71.01254	0.9
74.61149	0.2
74.98940	5.3
75.96111	0.3
89.02309	0.3
91.02075	3.2
93.00004	2.9
98.20662	0.5
101.00435	0.2
101.02341	0.4
103.03896	0.5
103.37592	0.2
113.02313	0.3
124.31198	0.2
149.00850	2.9
159.08382	8.1
160.08731	0.3
161.04420	0.4
161.06313	2.2
179.51483	0.3
187.04245	0.3
192.98080	0.6
206.99644	1.5
209.01158	2.7
217.07143	0.8
223.02782	49.8
224.02832	3.8
225.00731	0.4
241.03761	1.2
275.05899	0.8
289.07587	1.8
291.09082	100.0
292.09225	10.6
307.12509	2.9
308.12219	0.4
309.10156	2.1
310.10031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0609
Annotation	Ascocorynin
Peak:m/z	Relative Intensity
53.63029	0.3
55.01760	0.4
59.01253	2.1
60.68795	0.4
61.98710	0.4
68.99690	1.9
71.01245	1.7
73.02810	0.3
77.03822	1.1
77.24105	0.3
79.01742	0.5
85.02818	0.9
89.02296	0.7
89.03835	0.3
89.45786	0.3
95.01225	0.4
95.59203	0.3
97.02817	0.4
101.02306	0.9
101.03820	0.9
103.03899	0.4
105.03349	0.4
107.04858	0.7
109.02825	0.7
110.99069	0.4
112.56847	0.3
117.03371	0.6
119.01261	0.8
121.02838	1.8
126.07377	0.3
131.01273	0.4
133.02806	1.0
143.04869	0.8
145.02853	0.8
147.00789	2.5
147.04419	1.1
149.02330	6.1
151.05394	0.7
158.03624	1.2
159.00748	0.7
160.01567	1.4
161.02307	0.9
161.04468	0.5
165.01871	0.6
171.04420	7.4
172.04668	0.3
175.00243	1.8
175.15842	0.3
176.01035	0.7
177.01836	14.1
178.02202	0.6
178.07860	0.3
179.04906	1.3
179.08530	1.8
188.01060	0.5
191.08553	1.5
195.08067	0.6
202.99756	1.1
204.05725	0.5
205.01324	2.2
205.06627	0.3
206.07309	1.1
207.08083	5.3
208.05180	0.4
209.05962	0.5
217.06648	0.3
219.08073	0.6
223.07619	1.8
234.06813	1.5
235.07614	7.4
236.04761	1.3
236.07967	0.7
237.05487	0.5
248.05005	0.4
251.07111	6.0
261.05829	0.3
262.06308	0.4
263.07034	1.4
279.06601	85.8
280.06979	5.9
307.06097	100.0
308.06424	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	305.1757
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
57.03322	17.5
57.25378	1.3
59.01249	100.0
59.13823	1.1
60.32730	1.2
69.03301	1.7
69.75892	7.5
80.55849	1.3
81.03312	2.7
85.02792	1.8
93.03355	1.6
95.01266	1.9
95.04903	3.9
97.02825	13.5
98.19873	1.8
108.02055	28.2
109.06504	1.8
110.03629	5.9
111.04367	1.5
117.54411	1.3
121.06458	1.7
122.03622	2.9
123.04404	14.2
124.05202	34.8
125.06005	17.2
137.05969	3.7
168.04189	33.6
169.04532	3.3
176.08351	8.9
223.87346	1.4
243.17430	4.2
245.15433	20.8
246.15866	2.3
261.18585	23.8
262.18918	1.8
305.08719	1.6
305.17575	39.3
306.18008	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	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02845	13.8
59.01212	0.7
66.03347	1.7
68.04925	0.8
70.02856	2.6
70.97375	1.2
71.01249	1.0
72.00777	2.5
72.04424	0.5
74.02341	28.7
77.17734	0.4
77.52419	0.5
81.04455	1.3
82.02850	4.4
83.02407	0.5
84.00808	0.6
84.04432	1.2
85.03958	0.8
86.02348	11.4
86.05980	1.4
86.98977	1.3
87.05508	10.3
88.03934	1.1
90.00069	4.3
95.05998	0.8
96.04414	1.2
97.03949	4.1
99.05519	25.9
100.00334	0.6
101.07077	3.9
102.05482	3.5
107.06057	1.2
109.02871	0.5
109.03967	3.4
109.07564	1.3
111.05514	1.9
112.03919	3.4
113.03463	1.1
113.07065	1.0
116.01632	2.0
120.01123	0.8
121.03928	0.8
123.05531	2.8
124.03949	2.1
125.02339	1.4
125.03462	2.0
126.01887	0.8
127.05034	5.1
128.03424	70.5
129.03754	1.2
129.99556	0.9
130.04924	0.7
131.04517	2.9
135.05534	5.2
137.07091	1.4
139.05011	0.5
141.05566	0.8
141.06590	8.7
143.04523	100.0
144.01166	0.8
144.04854	2.2
145.06055	4.1
146.04492	7.6
149.07074	0.8
153.06596	7.0
155.08180	0.9
160.00645	22.1
161.01004	0.6
164.08223	0.5
166.09740	3.4
167.04535	7.1
167.08170	3.1
171.04001	0.8
171.07646	0.8
177.03323	9.1
179.04558	17.6
180.07680	0.9
181.06128	2.8
184.10881	0.9
185.05598	3.9
192.07668	1.8
197.05611	3.5
198.08784	1.9
210.08775	18.7
211.09048	0.8
213.03233	0.6
228.09831	1.5
231.04482	0.5
232.92921	0.5
236.06847	0.6
242.07826	2.5
246.77316	0.5
254.07797	24.1
255.08163	1.0
260.08755	0.8
272.05872	1.1
272.08875	27.3
273.09201	1.7
288.06613	5.3
306.07623	34.3
307.07947	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	305.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.4
57.03323	19.0
58.02840	4.7
59.01247	100.0
69.03360	2.7
71.01243	3.1
71.04895	2.2
71.49763	2.5
79.01753	3.8
81.03327	2.9
82.41956	1.6
83.04897	1.9
85.89619	1.7
93.03329	2.3
95.01270	2.9
95.04885	5.3
97.02837	19.9
99.08003	5.0
108.02049	30.6
110.03595	4.7
111.04404	4.1
121.06508	2.7
122.03568	2.8
123.04393	11.8
124.05187	32.1
125.05972	20.7
135.08040	1.8
137.05977	5.9
149.06041	2.6
152.04669	2.6
152.17705	1.6
163.07458	2.9
167.07036	37.3
168.04185	31.7
168.07368	3.1
168.13806	3.2
169.14288	3.9
169.87381	1.8
176.08301	9.5
179.06990	4.0
189.12589	1.8
192.04138	2.7
193.04959	2.5
207.06599	20.0
208.06935	2.7
217.15929	2.3
243.17413	4.7
245.15514	17.6
246.15857	2.2
252.59029	2.0
261.18558	21.6
262.18878	3.1
271.09595	2.8
283.11584	1.9
297.11267	6.4
305.07770	3.0
305.10986	3.1
305.17551	39.3
306.07706	2.0
306.17792	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	305.0665
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.49013	0.6
57.03326	6.5
59.01231	1.2
67.01751	0.8
69.03337	1.0
69.47771	0.6
70.03853	1.4
70.04259	2.6
70.85693	0.8
81.03326	3.1
83.01247	3.9
93.03335	2.2
95.01259	2.2
95.04891	3.4
97.02825	3.9
107.04898	1.2
109.02831	15.8
111.04389	2.3
113.05866	0.7
121.02818	2.9
121.10628	0.6
123.00783	4.7
123.04426	1.4
124.01547	4.5
125.02332	100.0
126.02664	3.0
128.03450	1.0
131.04855	0.8
135.04425	3.3
137.02342	30.1
138.03082	1.7
139.03914	20.4
143.04506	1.2
147.04387	2.1
149.02380	1.7
149.06009	3.3
151.03900	2.8
153.01836	0.9
158.03671	0.9
159.04411	1.8
161.02350	3.5
162.02991	0.8
163.03833	0.8
164.01077	6.3
165.01842	22.6
166.02417	2.2
167.03403	22.7
168.03687	1.6
173.06017	0.8
175.03899	4.3
176.04666	1.0
177.01794	1.8
177.05455	4.9
178.02534	1.0
179.03418	23.8
180.03850	0.8
191.07117	2.2
201.05489	1.8
203.03424	4.0
204.04236	3.7
215.07054	1.1
218.05768	1.1
219.06575	16.3
220.07033	0.7
221.04512	10.4
233.08154	1.2
237.07501	1.5
243.06599	2.1
253.63553	0.7
254.07884	0.9
261.07669	7.3
262.07928	1.1
263.05618	1.2
287.05478	1.0
305.06659	67.8
306.06940	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	305.0665
Annotation	EPIGALLOCATECHIN
Peak:m/z	Relative Intensity
57.03323	6.1
69.03336	1.0
71.25691	0.6
71.26029	1.1
81.03323	3.8
83.01258	2.5
83.38233	0.7
89.29584	0.7
93.03343	1.8
95.01257	1.8
95.04928	3.1
96.73777	0.6
97.02831	3.6
107.04903	1.2
109.02830	14.9
109.03528	1.2
111.04411	4.8
119.04913	0.9
121.02827	3.1
123.00776	7.1
123.04415	1.3
124.01582	4.5
125.02336	100.0
126.02647	2.1
135.04416	1.8
137.02345	27.6
138.03078	1.8
138.89677	0.6
139.03914	20.1
140.04295	1.0
147.04405	1.0
147.08051	0.8
149.02362	1.2
149.06009	1.2
151.03958	3.1
158.87178	0.6
159.04425	1.2
161.02342	2.3
163.03951	1.0
164.01076	7.4
165.01846	22.4
166.02440	1.9
167.03409	25.6
168.03812	0.7
173.06000	1.2
175.03957	2.9
176.04652	0.9
177.01868	1.7
177.05458	4.8
178.02576	1.0
179.03418	16.9
180.03711	0.9
181.05046	1.1
189.05502	0.9
191.07033	2.4
201.05493	2.1
203.03441	4.3
204.04156	3.5
215.07141	0.7
218.05676	1.0
219.06580	16.0
220.06779	1.0
221.04515	6.8
233.08212	0.9
237.07681	1.2
243.06519	1.3
245.04535	0.9
261.07693	4.5
263.05621	1.0
305.06647	34.7
306.06964	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	305.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	7.8
59.01255	0.5
67.01756	0.6
69.03314	0.9
71.01238	0.6
71.49301	0.7
81.03314	4.8
83.01241	3.8
83.04900	0.6
93.03345	2.8
95.01255	3.1
95.04896	3.0
97.02827	5.2
107.04910	1.1
109.02835	17.1
110.03198	0.5
111.04386	3.5
113.05984	0.6
118.45033	0.5
121.02878	3.1
122.53970	0.4
123.00771	6.2
123.04391	2.1
124.01556	5.2
125.02330	100.0
126.02660	3.3
128.03291	0.4
129.41257	0.4
131.04921	0.5
133.02876	0.6
133.06461	1.3
135.04373	2.1
137.02339	30.8
138.03178	2.6
139.03903	22.2
140.04265	0.6
147.04382	0.8
148.05052	0.4
149.02347	0.7
149.05956	1.9
151.03912	2.9
155.03378	0.6
159.04457	1.7
161.02344	3.4
162.03119	0.6
163.03943	0.7
164.01067	6.7
164.48965	0.4
165.01840	22.6
166.02466	1.7
167.03406	21.7
168.03726	1.1
170.02124	0.6
173.06001	1.3
175.03940	3.2
175.07520	1.0
176.04703	0.7
177.01881	2.3
177.05495	4.7
178.02612	1.1
179.03406	23.3
180.04070	0.6
181.04999	1.2
189.05492	0.6
191.07101	2.1
199.07397	0.4
201.05501	1.9
203.03410	4.4
204.04178	2.8
215.07112	0.6
218.05737	0.7
219.06557	17.1
220.06851	1.0
220.52187	0.4
221.04501	10.3
222.04866	0.6
227.03413	0.6
233.08200	0.7
237.07678	1.4
243.06554	1.5
245.04359	0.5
247.02386	0.6
254.65739	0.5
261.07654	6.2
263.05582	0.6
287.05655	0.9
287.18149	0.5
305.06647	65.6
306.06989	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	304.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91092	0.4
58.02845	41.3
66.28758	0.4
67.47068	0.4
85.96032	0.4
91.42441	0.4
96.01620	0.4
98.20594	0.7
98.68284	0.4
168.13844	100.0
169.14204	5.1
191.08791	0.4
212.12831	3.1
267.98495	0.4
297.11337	0.6
304.19232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03083	1.1
57.03329	9.1
59.01239	1.0
69.03332	1.7
69.05379	1.1
71.49785	1.8
71.50130	1.3
81.03329	2.9
83.01250	4.6
93.03326	2.3
95.01265	4.0
95.04890	4.7
97.02836	5.7
107.01282	1.3
107.38754	1.0
109.02827	16.5
111.04414	3.2
113.56966	1.0
121.02814	2.5
123.00771	9.7
123.04394	1.3
124.01575	7.0
125.02335	100.0
126.02681	2.0
126.70840	0.9
135.04411	2.6
137.02347	29.6
138.03163	1.5
139.03906	23.7
146.03558	1.0
147.04446	1.3
149.02264	1.2
149.05957	2.7
151.00317	1.1
151.03909	3.1
159.04382	2.4
161.02341	4.4
162.03137	1.3
163.03894	0.9
164.01068	7.0
165.01840	21.1
166.02527	1.8
167.03416	19.9
169.01271	1.7
173.06049	1.9
175.03931	3.0
176.04590	1.4
177.01894	2.3
177.05473	4.6
179.03401	20.6
180.03731	1.4
191.07004	1.5
201.05434	2.5
203.03391	4.4
204.04105	3.1
217.21790	1.1
219.06584	17.1
220.07057	1.5
221.04485	8.0
261.07648	7.7
287.01883	1.7
305.06662	59.7
305.22629	1.0
306.07013	5.2
315.01492	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	303.1601
Annotation	CHEBI:65537
Peak:m/z	Relative Intensity
58.02853	5.7
61.17897	0.6
67.40259	0.7
69.89739	3.7
83.92928	0.6
93.05457	0.7
103.19653	0.7
107.04896	1.2
122.03622	7.7
122.61338	0.7
134.03590	1.0
134.77972	0.7
135.04411	23.7
136.05212	19.3
137.05988	14.7
148.05222	5.8
149.05998	5.8
151.03865	1.1
168.13841	15.9
174.06792	1.1
175.07477	1.4
177.09076	1.0
189.09125	2.7
203.64766	0.6
221.15964	0.7
223.17490	0.8
230.10481	0.9
244.14656	6.9
258.16309	0.9
259.17010	100.0
259.72745	0.6
260.17343	8.0
273.14966	2.5
291.16183	1.4
303.15927	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.16
Annotation	Platensic Acid Methyl Ester
Peak:m/z	Relative Intensity
56.38599	0.6
56.86796	0.6
67.01751	1.2
69.03316	0.7
71.49134	0.6
73.02789	0.6
79.05370	1.1
91.74264	0.6
93.03294	0.6
95.01201	0.8
103.98359	0.7
107.04871	0.8
108.01986	2.2
109.02797	1.4
121.02852	3.6
122.03565	1.1
123.00719	2.2
125.02359	3.7
128.03442	0.5
132.02022	1.0
135.00833	0.6
137.02301	0.7
143.04871	0.8
145.06439	1.1
148.01505	2.6
149.02243	0.6
151.00241	0.8
152.00949	0.6
157.06413	1.8
157.49496	0.6
159.04427	13.3
159.11586	0.6
160.05093	1.6
161.02240	0.7
161.05980	3.6
166.02626	6.0
173.06004	3.9
174.06752	3.2
175.03880	0.8
175.07512	1.5
175.11212	7.0
177.01813	0.7
187.03928	2.9
188.04706	1.5
188.07022	0.5
189.05435	0.9
201.05516	4.3
202.06288	45.6
203.06557	2.9
217.04977	0.6
227.14354	1.2
229.12312	9.4
230.12915	1.7
234.08867	1.7
243.13873	13.7
244.14363	1.8
271.13394	100.0
272.13770	7.9
303.16049	49.1
303.52286	0.6
304.16541	4.2
304.23035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74971	20.7
54.07477	21.1
57.03316	42.4
59.01244	59.1
67.77018	19.4
71.01257	32.1
71.50387	29.8
72.99200	28.8
75.00763	26.7
77.75392	19.5
89.02307	53.0
93.03358	18.5
97.06467	29.4
112.98698	38.3
117.01814	42.5
123.18166	22.0
125.02330	100.0
137.02339	22.4
137.37483	20.3
142.99751	86.7
153.05403	23.8
165.01740	31.5
174.01518	27.5
177.01871	67.9
195.65891	19.6
229.04861	23.1
303.01044	28.7
303.21732	44.7
319.49200	21.0
321.21143	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	303.0511
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
54.88203	0.6
57.03323	17.9
65.00192	3.1
69.31325	5.5
70.73464	0.5
79.30606	0.6
83.01257	6.7
93.03345	1.7
95.01266	1.1
98.20515	1.2
99.00787	0.7
107.01269	2.2
108.02049	1.1
109.02842	2.9
111.00770	1.2
112.49346	0.6
119.03675	0.6
121.02843	1.6
122.03633	0.7
123.04397	7.2
124.01527	3.0
125.02336	100.0
126.02676	3.0
128.16916	0.6
133.02901	0.8
137.02351	3.1
139.03885	2.0
143.04880	0.7
145.03014	0.6
146.03661	0.9
147.04437	2.1
149.02367	5.1
150.03152	5.6
151.00290	7.9
151.03915	9.3
152.01073	3.5
153.01855	7.0
155.03395	0.6
157.67838	0.5
159.04445	0.8
161.02341	1.7
161.05952	0.8
163.03944	0.8
165.01831	1.2
165.05467	0.9
171.04498	1.6
173.05989	1.0
174.03154	3.7
175.03937	17.9
176.04329	1.1
177.01866	17.2
178.02242	0.9
178.99808	9.9
181.01315	1.4
185.05916	0.8
188.04735	2.1
189.05476	5.2
193.04976	3.1
199.03935	7.6
200.04260	1.2
201.01877	2.7
213.05455	1.8
215.03392	0.7
215.07060	0.7
216.04227	1.0
217.04994	10.8
229.04985	0.8
231.06525	1.4
235.06046	0.7
241.05048	6.8
242.02261	0.7
242.05199	0.8
243.03072	1.2
257.04623	1.3
259.06201	6.5
275.05603	4.3
285.04044	62.9
286.04373	5.1
303.05133	8.2
304.05447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
53.43861	0.8
57.03309	3.4
59.01249	1.7
71.01242	0.7
76.44453	0.7
77.71390	0.7
90.02894	0.9
97.06457	1.1
98.20599	1.4
99.08025	0.8
107.01238	0.9
109.02802	0.9
111.00717	1.1
113.09589	1.7
121.02763	1.6
123.00793	2.4
125.09625	0.9
134.03644	2.6
135.04333	1.0
138.03136	1.4
139.03879	1.1
145.02823	0.9
149.02322	2.9
151.00223	3.2
151.03882	0.8
162.03140	3.4
171.08044	2.4
174.06757	0.8
175.03754	1.0
178.99744	1.9
183.13817	1.9
185.06038	1.0
187.09689	1.2
189.09148	9.1
195.02936	1.4
201.05518	1.6
201.54411	0.9
213.05505	1.2
215.07062	2.1
216.07828	3.1
217.08669	9.4
221.19049	34.6
222.19359	2.5
239.20132	2.9
244.03770	1.0
245.00943	0.8
253.04886	0.9
257.21091	1.7
265.18082	17.5
266.18414	1.4
283.06085	3.6
283.19156	19.6
284.19534	1.5
300.99829	12.4
301.03436	5.1
301.07138	2.1
301.10815	2.1
301.14590	27.6
301.20169	100.0
301.99921	1.1
302.14810	3.3
302.20508	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	303.051
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
57.03318	0.7
59.01248	0.9
59.47388	0.6
62.27081	0.6
63.02267	3.0
65.00195	11.7
69.81674	1.2
69.82087	1.8
71.01262	0.6
76.74585	0.5
83.01260	4.7
93.03300	0.6
95.04887	1.1
105.03315	1.3
107.01269	15.4
107.04896	1.6
108.01541	0.7
109.02862	0.6
116.20747	0.4
121.02839	0.9
122.32091	0.5
123.04402	0.8
125.01457	0.8
125.02335	10.5
137.02365	3.5
147.04388	0.7
149.02380	0.6
150.03120	0.7
151.00276	81.6
151.03905	100.0
152.00586	2.8
152.04224	3.5
153.07478	0.5
165.01852	1.6
169.01337	2.8
173.06058	0.5
175.03938	0.8
177.01828	4.4
199.04030	0.8
207.06650	0.8
211.03993	0.5
213.05482	0.6
217.04976	1.1
223.07585	0.5
229.05135	0.5
231.62819	0.6
241.05078	1.2
243.45538	0.5
257.04340	0.7
259.06030	0.9
259.09808	0.8
275.05740	1.1
285.04175	2.8
303.01489	1.1
303.05048	16.0
303.08176	0.6
303.21634	1.1
304.05463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42155	0.3
54.47562	0.3
59.01233	0.8
70.89854	0.6
70.90212	0.5
89.02322	0.4
91.03869	0.8
102.89340	0.3
123.00771	0.5
125.05946	0.3
135.04402	0.7
138.03203	0.3
142.23357	0.3
151.00302	0.8
165.12750	3.9
177.80493	0.3
183.13826	100.0
184.14162	5.6
201.98808	0.3
209.11760	1.6
227.12802	4.0
232.67693	0.3
300.99869	1.8
301.03528	1.4
301.06839	0.4
301.11108	0.5
301.16586	9.2
302.16818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.19536	0.2
60.97375	0.9
69.69949	0.4
69.70369	0.8
74.98962	0.9
75.96120	0.2
91.02126	0.3
93.00019	0.4
97.66985	0.2
118.96141	0.5
120.97663	0.2
134.99289	7.2
135.99176	0.2
136.97231	2.5
140.13596	0.2
141.07297	0.5
143.05270	0.5
150.98813	0.6
159.08360	1.8
161.06302	7.1
201.04022	0.6
203.05562	3.2
204.05832	0.2
205.03508	1.2
215.05615	1.5
217.07159	92.1
218.07318	6.7
220.08841	0.2
235.08162	0.6
261.06137	1.0
283.11938	0.6
285.13474	39.4
286.13681	4.5
301.16602	100.0
302.16800	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46241	0.2
59.01250	0.7
70.98611	0.4
77.91375	0.2
86.52865	0.1
89.02323	0.3
89.33041	0.1
91.03892	0.9
111.08049	0.3
165.12772	4.1
183.13832	100.0
184.14160	4.8
209.11795	2.6
210.12241	0.2
227.12836	4.3
230.70168	0.2
249.61414	0.2
284.06662	0.2
301.00067	0.3
301.03610	0.2
301.07266	0.2
301.16571	8.9
302.16965	0.5
305.82745	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.9
59.01244	0.6
61.98692	0.4
65.00182	0.7
70.26224	0.9
83.01257	0.5
83.04916	0.5
107.04897	0.3
108.02046	0.4
109.02852	0.6
111.00782	0.5
121.02806	0.4
122.03609	0.9
123.00789	0.7
124.01491	0.3
135.04411	10.4
136.04807	0.4
136.98695	0.7
137.02289	0.3
138.03104	1.2
143.04997	0.3
145.02864	0.4
145.06587	0.6
148.01558	5.1
149.02293	1.1
151.00246	1.2
155.03357	0.6
157.06482	0.9
159.04424	0.8
162.01917	0.5
162.03131	5.4
163.00247	0.3
165.01843	1.1
169.06488	0.5
171.04430	0.6
172.05156	0.6
173.05901	1.1
174.06783	0.3
175.07567	1.9
176.00990	0.5
178.99734	0.4
183.13763	0.7
186.03110	1.0
197.09605	0.3
199.07578	0.5
200.08334	1.3
201.05496	8.4
202.06270	10.1
203.06635	0.6
211.07591	0.8
213.05595	0.3
213.09126	0.5
215.07063	0.6
215.10715	1.1
217.01295	0.3
221.19031	2.9
224.04642	0.4
239.07074	1.0
240.11549	0.4
243.10165	0.7
255.06541	0.5
255.13876	0.5
258.12582	8.3
259.13037	0.8
265.18042	1.9
271.06299	0.4
273.00494	0.4
273.14932	11.2
274.15280	1.0
283.06030	1.1
283.13474	0.7
283.19153	1.7
285.11136	0.5
300.99844	2.6
301.03439	1.9
301.14417	100.0
301.19547	10.1
302.00137	0.4
302.14774	9.7
302.20276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
69.81580	0.7
69.81992	0.7
76.28635	0.2
77.60490	0.2
83.04898	1.2
93.03300	0.3
107.04888	0.4
108.02081	0.3
109.02847	0.4
119.04910	0.4
121.02836	0.6
122.03647	1.7
123.04387	0.4
128.63411	0.3
132.56743	0.3
134.03622	1.2
135.04405	7.2
135.05432	0.4
136.05156	0.3
138.03096	0.6
139.03938	0.3
148.01564	4.6
148.05260	0.6
149.02327	0.9
151.00276	0.5
157.06471	0.6
159.04445	1.2
161.02380	0.5
162.03133	11.2
163.03685	0.3
164.00906	0.3
165.01814	1.0
170.07292	0.8
171.08052	0.9
172.05208	1.3
173.06001	1.4
174.03040	0.3
174.06764	0.6
175.03889	0.6
175.07527	0.7
177.01819	0.3
177.09084	0.7
183.08095	0.7
183.13736	0.3
185.06049	0.4
185.09694	1.4
186.03143	0.6
186.06744	0.5
187.07536	1.8
188.04723	0.3
188.08345	3.2
189.09100	1.0
193.01404	0.3
199.03946	0.5
200.04701	0.7
200.08157	0.4
201.05493	3.2
201.09171	0.5
202.06255	4.5
202.09938	3.5
203.10713	9.5
204.10878	0.4
215.07080	5.6
216.07619	0.7
217.08780	0.6
229.08669	1.3
231.10201	0.7
243.52930	0.3
246.23380	0.3
255.13875	2.0
257.11783	0.6
258.12656	2.3
269.11801	0.4
271.13354	0.4
273.14941	1.2
300.13660	0.4
300.99939	1.0
301.14429	100.0
302.14743	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	301.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10427	0.7
59.01239	1.3
61.98683	1.3
65.00202	0.7
71.49757	1.0
77.76383	0.7
83.01257	1.2
83.04915	0.7
93.03352	1.8
95.01237	0.9
98.27615	0.6
101.79147	0.7
109.02812	1.4
111.00729	1.0
119.04792	0.8
121.02831	2.4
123.00758	3.6
125.02396	1.1
134.31400	0.7
135.04408	7.4
136.01500	1.2
137.02301	2.0
138.03139	8.0
141.01787	0.7
144.05669	1.9
145.02846	0.8
145.06416	1.0
147.04402	2.7
148.01566	1.9
149.02408	3.4
149.05878	0.8
151.00241	2.4
151.03937	0.9
157.06441	1.9
159.04433	1.6
159.08057	3.6
160.05127	1.5
161.02345	1.0
161.05873	1.1
162.03123	8.8
163.00237	1.4
163.03879	1.1
164.00999	2.0
165.01833	10.9
166.02429	1.3
172.05176	1.8
173.05998	1.3
175.03908	1.1
175.07607	5.6
176.01027	2.1
177.01840	1.3
183.13823	1.7
185.05965	2.9
187.03860	0.9
187.07524	2.5
188.04723	2.3
189.05476	2.2
193.01385	1.8
194.02130	0.8
198.03146	1.4
201.05519	2.8
202.06274	3.0
203.07066	22.0
204.07777	10.6
205.08052	1.0
213.05472	2.8
215.07016	1.9
217.05016	1.0
217.07010	0.7
231.06577	42.0
232.07066	3.6
235.06131	1.1
273.04092	1.4
273.15057	1.9
283.06113	1.1
300.99826	7.1
301.03479	7.5
301.07178	2.5
301.14398	100.0
302.14697	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	301.0718
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
50.88395	0.3
58.77695	0.3
59.01253	0.8
63.02271	0.4
65.00192	4.9
71.04895	0.9
71.49699	0.4
77.03833	2.2
79.01762	13.3
83.01265	0.5
93.03336	0.4
95.01269	0.7
97.02843	2.7
99.08035	0.4
107.01293	0.7
107.04896	0.5
108.02054	0.3
109.02853	2.0
110.03208	0.3
121.02841	15.2
122.03192	0.4
123.00771	0.6
124.01583	0.4
130.72054	0.3
133.02856	0.4
134.03644	1.7
135.04411	100.0
136.04741	3.7
137.02371	0.7
138.03090	0.4
139.03911	5.6
140.04247	0.3
149.02307	0.8
151.00270	2.7
161.02336	1.1
161.13277	0.4
165.01840	68.7
166.02185	2.5
169.01195	0.3
178.99706	0.8
179.03371	1.0
183.02922	2.3
191.03415	0.7
217.01549	0.5
218.72113	0.3
255.06436	0.5
283.06055	0.4
298.86459	0.3
299.99429	0.3
300.99881	3.5
301.03503	4.4
301.07159	12.7
301.10458	0.5
301.16989	0.6
301.20200	2.5
301.23410	0.5
302.04114	0.3
302.07602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1079
Annotation	Sequirin C
Peak:m/z	Relative Intensity
57.03335	1.1
59.01265	2.8
68.99667	1.0
71.04896	6.3
71.19909	1.1
72.05230	0.6
79.01772	0.9
83.01276	0.9
83.04923	1.4
85.02839	4.1
95.01292	1.0
97.02832	1.1
97.06489	0.8
99.04388	4.6
107.04879	2.6
109.02840	8.1
111.00830	0.7
112.95940	0.5
116.75087	0.6
122.03628	1.1
123.04414	3.7
124.01577	1.5
124.98697	0.9
125.02310	1.0
125.05986	2.1
125.99069	0.6
126.01965	1.0
127.02928	1.0
127.03894	8.1
127.05404	0.8
128.04243	0.9
129.04384	0.6
129.06978	1.3
131.04929	2.5
134.11063	0.5
135.00775	1.8
135.04428	1.4
137.01335	0.6
137.02373	1.9
138.03102	1.4
140.03754	0.6
141.06935	0.6
145.06506	2.4
146.06870	1.0
147.04391	1.4
147.08070	2.3
148.05208	1.4
149.02368	1.9
149.05980	1.9
151.02818	1.1
151.03903	7.4
152.04695	2.8
153.01810	1.3
153.05469	1.7
154.02643	0.9
157.06540	2.7
164.04726	3.5
166.06351	0.9
167.03433	6.3
169.05002	1.0
171.04442	0.9
172.04747	0.9
173.04646	0.7
173.06017	9.2
174.06355	3.8
175.06561	4.0
177.01837	3.7
178.02312	2.7
179.02240	1.6
179.03610	0.9
180.00623	1.0
182.02220	1.1
184.05232	1.1
185.09685	1.2
186.06831	0.8
191.03416	1.6
192.04279	2.2
195.02930	1.0
195.08159	0.6
197.05983	0.7
197.09702	3.2
199.07594	1.3
213.09218	1.1
237.09053	1.4
239.07112	0.9
239.10780	3.5
240.07758	1.5
241.08714	9.2
242.09229	1.8
244.06984	1.4
245.07877	7.1
255.10289	9.2
256.10739	1.0
257.08118	1.3
257.11932	3.3
258.08551	1.3
259.08688	7.1
265.08316	1.0
268.07480	1.5
272.02878	0.9
281.08023	0.7
283.09686	36.6
284.10080	3.1
286.08270	2.0
301.10547	100.0
302.11066	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	301.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71317	0.5
55.01751	1.1
65.00182	1.6
69.45339	0.7
70.22323	1.9
70.22744	0.9
79.01762	14.4
82.00488	0.7
89.67906	0.4
97.45529	0.5
107.01266	1.7
109.99983	1.6
111.00751	7.0
115.05402	1.6
123.00731	1.0
125.02296	1.7
127.05363	0.6
135.00798	1.4
138.03093	1.4
139.05428	10.7
149.13638	0.5
151.00276	10.1
151.05472	0.6
153.01859	0.9
156.05579	0.5
164.01100	0.8
167.03539	0.5
167.04900	1.2
167.08635	0.6
169.06445	1.7
171.04402	2.1
175.06683	0.6
178.99760	17.2
183.04424	0.8
183.07993	0.7
183.13763	0.7
184.05191	10.4
190.82108	0.6
192.00571	1.5
195.04408	0.8
196.05269	3.8
197.05899	1.3
211.03981	4.9
211.07558	1.4
212.04712	8.9
213.05547	3.1
214.06133	0.9
225.05464	1.1
227.07126	1.4
237.05614	0.6
239.07051	2.1
240.04187	4.9
241.04988	2.5
242.05559	0.8
244.03728	5.9
255.06599	29.7
256.06973	2.2
257.08163	1.4
269.04562	1.3
283.06097	100.0
284.06454	8.7
300.99896	2.4
301.03427	1.4
301.07040	3.0
301.10477	3.1
301.14435	2.9
318.59976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	10.9
59.01246	18.2
65.00188	37.3
65.92615	8.0
66.20576	8.6
68.99674	26.5
71.04893	26.2
71.49651	13.0
78.95782	100.0
79.01762	57.2
81.03342	13.4
83.01251	17.7
85.02810	13.3
95.01279	15.1
95.04859	10.1
96.96819	23.6
106.79386	9.1
107.01284	13.4
109.02863	24.9
111.00760	25.0
114.05482	8.3
121.02840	18.8
123.00755	32.6
124.01571	50.5
125.02326	13.2
131.04886	13.3
135.04468	18.6
136.98718	14.8
137.02374	14.3
138.03117	18.2
139.03915	89.7
145.06476	27.2
149.02348	10.8
151.00246	55.9
151.03938	14.8
156.00595	11.0
162.34444	10.4
163.03896	13.0
165.01848	26.6
167.03409	16.6
169.06516	25.0
171.04440	35.4
172.05113	15.9
173.05994	22.3
180.00432	12.7
183.08104	15.8
183.13826	14.8
184.05307	8.9
193.01363	16.0
195.02852	23.1
201.05437	16.3
211.07538	37.3
212.65912	8.7
213.05463	13.9
215.07117	18.1
217.07016	12.1
230.40413	11.5
239.07126	51.6
241.05090	22.7
255.06572	90.2
256.07458	9.2
273.00626	11.2
283.05984	65.7
283.08807	10.8
284.06586	20.5
300.99881	88.2
301.03448	38.9
301.06934	30.6
301.10544	27.3
301.14395	27.6
301.17236	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	301.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.1
58.44400	0.5
59.01242	1.1
63.04734	0.6
64.27625	0.6
65.00199	1.8
68.99682	0.6
71.01257	0.8
79.01756	11.2
83.01272	0.7
90.30071	0.4
107.01234	1.2
109.99970	1.6
111.00761	6.9
115.05424	2.2
121.02808	0.7
123.00751	1.6
125.02322	2.0
135.00729	1.0
138.03168	1.2
139.03836	0.8
139.05434	10.1
143.04906	0.6
151.00269	10.3
151.05466	0.9
153.05426	1.5
154.05815	1.1
155.05978	0.9
169.06487	1.2
171.04425	2.3
176.15872	0.5
178.99779	16.6
180.04074	0.7
181.06418	0.9
183.04448	1.2
183.08154	0.5
184.05205	8.3
192.00577	1.6
195.04395	0.9
195.06458	0.7
196.05252	4.3
199.04036	0.9
201.08948	0.6
211.03922	5.2
211.07628	0.8
212.04700	8.7
213.05496	3.1
217.01433	0.6
224.04785	0.6
239.07106	1.8
240.04228	5.7
241.04962	2.0
242.05739	1.0
244.03729	6.4
255.06607	28.6
256.06946	2.9
257.08249	1.1
268.03726	1.4
273.03860	0.7
278.61630	0.6
283.06104	100.0
284.06372	8.6
301.00223	2.9
301.03436	1.7
301.06873	3.5
301.10162	0.9
301.14487	2.1
301.20151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93594	0.4
57.01500	0.3
59.01242	0.4
59.37628	0.4
63.02282	0.5
65.00188	1.4
69.35923	2.9
72.76949	0.4
81.03292	0.4
83.01241	0.9
83.73241	0.4
93.03349	0.7
95.01258	0.7
99.75900	0.4
99.90624	0.4
107.01241	1.3
108.02036	0.8
109.02838	20.7
115.05373	0.5
117.03371	0.5
119.01299	0.5
121.02867	3.2
123.00787	1.1
125.02322	1.1
133.02840	1.7
135.00752	0.8
138.03125	0.5
139.00278	0.4
143.04909	1.0
145.02882	1.8
146.03590	1.2
147.00804	0.8
147.04413	4.6
148.01552	1.1
149.02315	0.6
151.00237	3.4
157.06512	1.4
159.04410	2.4
161.02377	1.9
161.05975	2.5
163.00305	0.6
163.03955	0.6
167.03563	0.4
167.04959	1.1
169.01315	0.7
170.03638	2.1
171.04405	4.6
173.02364	1.1
174.03081	1.2
178.99745	1.4
183.04411	1.7
184.04913	0.4
185.02380	0.6
185.06036	3.7
187.03934	5.1
188.04652	0.5
189.01830	0.6
189.05507	4.8
191.03329	0.5
195.04456	0.9
198.03114	1.6
199.03886	0.7
201.01868	0.5
201.05531	1.8
211.03943	4.8
212.04666	1.6
213.05505	4.3
214.02606	0.6
215.03439	4.2
217.01387	1.3
227.00058	0.4
227.03450	2.3
228.04147	0.9
229.01448	0.4
229.05016	5.3
239.03513	1.8
240.04242	1.9
242.02219	0.9
245.04396	0.6
255.02989	2.6
256.03763	4.7
257.04526	100.0
258.04840	6.6
272.02927	0.4
273.00430	0.9
273.03839	1.1
283.02512	2.4
283.99625	0.6
299.99185	0.6
300.99887	11.2
301.03525	28.7
301.16971	0.5
302.00214	1.1
302.03888	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59217	0.2
55.76698	0.2
66.22440	0.3
66.77325	0.3
69.03312	0.6
77.03834	1.2
83.01260	0.8
93.03348	1.5
95.01272	0.4
97.02821	4.0
109.02855	1.0
121.02848	5.0
123.00832	0.4
132.36913	0.3
137.02347	19.8
138.02663	0.4
139.03899	0.5
150.83110	0.3
165.01846	100.0
166.02193	3.6
229.76874	0.3
301.00204	0.6
301.03458	3.6
301.20309	0.4
302.04868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74798	0.3
55.00431	0.2
59.01248	35.7
59.15949	0.3
63.02264	9.5
65.00189	16.2
66.00541	0.4
70.79366	0.5
71.04881	1.7
73.02815	4.7
73.04147	0.3
77.03839	0.5
79.01761	1.2
80.99915	0.2
82.62980	0.3
83.01253	11.4
93.03329	5.0
95.01271	0.8
95.04912	0.3
97.02841	1.3
103.78363	0.3
107.01265	27.1
108.02120	0.4
108.99156	0.3
109.02828	3.3
111.00762	0.5
121.02841	24.5
122.03173	0.6
123.00815	0.5
123.04362	0.4
124.01550	0.9
125.02325	1.1
133.02881	0.6
135.04416	1.1
136.07584	0.8
137.02336	0.9
139.03897	11.7
143.04858	0.4
145.02844	0.8
147.04405	0.6
149.02353	4.0
150.61324	0.3
151.00266	73.0
152.00600	2.0
157.06465	0.6
159.04485	1.3
161.02368	1.5
161.05986	0.3
162.03038	0.4
163.00290	1.8
163.03888	1.2
164.01103	1.6
165.01804	2.2
166.02608	1.0
167.03377	0.6
169.01323	4.4
170.01683	0.3
171.04411	0.7
173.02272	0.3
173.06010	0.4
174.03108	0.4
175.03873	0.5
177.05444	1.4
178.99767	26.4
180.00137	1.1
183.04382	0.5
183.13860	0.4
185.02269	0.4
185.06044	0.6
187.03917	1.3
189.01845	0.4
189.12663	0.4
192.00600	0.4
193.01340	2.2
195.99953	0.6
197.04568	0.5
199.03986	0.6
201.05400	1.6
203.03531	0.8
205.04936	1.0
207.13821	3.4
209.11745	0.4
211.03925	1.1
212.04778	0.4
214.02608	0.5
215.03404	0.5
215.07117	0.7
225.14900	4.1
227.03470	1.6
227.12828	8.1
229.04997	2.4
229.08614	0.5
230.01968	0.4
231.02924	0.7
243.02943	0.9
245.04488	2.0
251.12848	0.6
255.02921	1.2
255.06633	0.4
256.03653	0.5
257.04550	1.0
257.08115	1.5
257.12848	1.6
269.13922	0.7
271.02557	0.3
273.04050	3.2
273.07669	5.6
274.08005	0.4
283.06149	0.6
283.15485	4.6
284.03156	0.3
299.01935	0.8
301.03522	100.0
301.06937	6.2
301.16559	7.6
302.03867	7.2
302.07278	0.6
302.16873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0352
Annotation	Quercetin
Peak:m/z	Relative Intensity
59.01225	0.4
63.02262	0.8
65.00195	2.4
76.99937	0.3
77.03851	0.3
79.08350	0.2
83.01256	1.6
93.03329	0.3
93.40500	0.2
98.20676	0.6
105.03340	1.1
107.01263	4.9
119.04877	0.4
121.02848	1.0
123.00780	0.3
125.02328	0.5
137.02362	0.4
139.00287	0.4
145.02837	0.4
145.63449	0.2
147.00774	0.3
147.04388	0.4
149.02344	31.7
150.02695	1.3
151.00269	9.1
159.04419	0.6
161.02324	0.6
163.03897	0.3
163.65387	0.3
169.01273	0.4
171.04370	0.3
173.02303	0.3
173.06026	0.7
175.00209	0.5
177.01872	0.6
183.04449	0.9
185.02507	0.3
185.06020	0.4
187.03938	0.8
189.01854	0.4
189.05426	0.3
191.03413	4.8
201.05458	0.3
203.03319	0.3
211.03929	1.1
213.05432	0.3
214.02499	0.3
215.03439	2.6
217.01431	0.7
217.04929	0.4
227.03471	1.9
229.01266	0.4
229.04976	0.6
233.04449	1.1
239.03485	1.6
254.02420	0.3
255.02992	1.9
257.04593	1.0
259.02405	0.3
272.03128	0.3
273.03979	0.3
283.02454	0.7
300.02661	0.4
301.03510	100.0
302.03845	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.7
63.02270	7.3
65.00194	11.6
68.61330	0.5
70.88803	1.1
83.01261	7.9
91.01750	0.7
93.03328	4.3
95.01248	0.7
107.01274	19.7
109.02848	8.3
112.79080	0.6
121.02849	17.1
122.03137	0.7
123.00751	1.8
124.01556	0.8
125.02323	1.7
133.02829	1.5
135.00711	1.1
137.02264	0.9
139.03897	1.3
145.02864	1.1
147.00737	0.8
147.04420	0.9
148.16566	0.6
149.02354	3.5
151.00273	54.0
152.00584	2.3
152.37149	0.5
159.04422	1.2
161.02388	1.4
161.06001	1.3
163.00246	2.5
164.00999	1.5
167.04910	1.1
169.01323	4.8
170.03574	0.9
171.04408	1.3
173.02318	0.8
178.99773	19.8
183.04373	1.1
185.05949	0.9
187.03893	1.7
189.05533	1.3
192.00526	1.1
193.01266	1.4
201.05450	1.2
205.04921	0.9
211.03969	1.7
213.01830	0.7
213.05490	1.5
215.03481	1.4
217.01312	2.3
227.03358	2.1
229.01450	0.9
229.04941	2.8
240.04196	0.7
244.03220	1.1
245.04529	1.9
255.02834	2.1
256.03543	3.0
257.04529	21.1
258.04926	1.5
272.02835	4.7
273.00330	1.2
273.03720	3.0
283.02444	0.9
283.99484	1.0
300.99915	11.8
301.03448	100.0
302.00421	1.2
302.03784	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	300.9988
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
51.67238	0.2
59.01242	0.3
61.71525	0.2
70.64024	0.4
70.64392	0.3
90.65096	0.2
103.14900	0.2
112.83510	0.2
117.03327	0.7
119.04874	0.5
123.00720	0.2
129.03381	1.0
132.02017	0.2
133.02840	0.6
145.02855	3.3
147.04372	0.9
157.02879	1.5
160.01555	0.2
161.02278	0.6
163.03946	1.3
171.00714	0.3
172.01512	0.4
173.02342	3.7
174.02740	0.3
175.04063	0.2
184.01482	0.3
185.02354	4.8
186.02667	0.2
189.01874	1.1
191.03343	0.2
199.00262	0.7
200.01024	1.0
201.01866	4.5
202.02165	0.4
212.01044	0.2
213.01830	0.6
216.00523	0.5
217.01305	1.2
226.99782	1.6
228.00591	0.8
229.01366	6.2
230.01674	0.3
240.00635	0.3
244.00026	0.5
245.00868	3.0
254.99290	0.7
256.00024	0.4
257.00897	2.7
271.99588	0.3
273.00345	0.7
282.98929	0.3
283.96399	0.3
283.99600	6.4
285.00003	0.3
299.99094	6.0
300.99866	100.0
302.00211	8.0
302.03751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1287
Annotation	Galanganol A
Peak:m/z	Relative Intensity
55.01751	0.4
63.27017	0.4
64.68451	0.3
68.99711	0.5
70.18594	0.3
70.78349	0.9
70.78684	0.5
71.04890	0.9
72.53461	0.3
77.96658	0.4
79.01761	4.1
79.48406	0.3
81.03326	1.0
95.04865	0.4
99.08018	1.3
109.02807	0.8
111.04391	4.3
111.97850	0.3
117.11467	0.3
123.07973	0.6
145.02876	0.5
149.05983	7.4
151.07533	5.9
152.04648	0.9
157.28674	0.4
162.47067	0.5
167.07050	15.5
168.07361	0.4
180.04190	2.1
193.04990	18.7
194.05263	0.7
195.06551	100.0
196.06895	3.2
211.11192	0.7
215.95525	0.4
240.74969	0.3
255.10143	1.4
299.12909	11.7
299.16272	0.5
300.13318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
57.03311	0.4
59.01241	1.8
68.99683	0.9
70.06133	0.9
70.06530	0.4
71.04859	0.5
79.01756	4.8
81.03327	0.8
83.04900	0.4
93.03328	0.5
95.04890	0.4
97.02822	0.5
98.19864	0.3
99.04445	0.4
99.08006	1.5
107.01282	0.3
108.02039	0.6
109.02824	0.8
111.04410	1.0
113.33923	0.3
115.07438	0.3
117.03333	1.9
119.04883	1.3
121.02814	0.5
122.03601	1.0
123.04384	1.3
123.08045	0.3
125.02341	0.7
125.05894	0.3
127.03890	0.7
135.00778	0.5
135.04439	0.3
137.05965	4.2
138.05397	0.3
141.06990	0.7
145.02850	8.5
146.03125	0.4
148.01492	0.3
149.05960	7.2
149.07060	0.6
150.06329	0.3
151.07532	1.3
152.04652	1.0
163.03896	0.4
165.01619	0.3
167.07039	9.8
169.06290	0.4
171.04431	0.5
171.67293	0.3
175.03880	0.4
176.04684	0.9
179.03362	1.0
180.04155	1.5
193.04980	18.0
194.05324	0.8
195.06541	100.0
196.05162	0.5
196.06851	4.5
199.03944	0.6
217.00266	1.2
223.07603	0.5
224.08322	1.3
227.03447	0.6
237.05614	0.6
239.07202	0.3
239.10727	2.7
243.02939	2.0
251.07109	0.7
252.07855	1.3
255.02971	2.5
255.10216	0.7
257.08063	0.7
267.10236	18.4
268.10547	1.2
271.02426	6.9
271.05655	0.4
281.08188	0.7
284.03207	1.1
298.98837	0.3
299.02206	1.7
299.05673	1.1
299.09253	4.2
299.12845	12.4
299.16492	12.7
299.25781	0.7
300.02713	6.4
300.09872	0.5
300.13205	1.6
300.16818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49736	1.0
69.23589	11.3
72.99175	22.1
73.68656	1.2
75.00735	4.4
79.95601	17.6
80.96383	5.0
83.12958	1.2
87.00730	2.3
88.46651	1.0
96.95887	7.9
109.65775	1.0
111.00759	1.5
116.04916	2.2
117.03280	1.0
128.04999	1.2
130.06520	10.5
131.03644	4.4
132.04448	29.4
133.04752	1.5
135.04463	1.0
138.05542	1.2
144.04477	11.8
145.02847	3.8
145.04784	1.7
146.03250	2.6
146.06020	19.1
147.04358	1.2
157.05247	2.2
158.06018	53.9
159.06343	2.6
172.03978	1.4
174.05518	22.7
175.00424	1.3
176.07072	4.7
187.03963	1.3
193.45552	1.1
202.05019	13.6
215.03325	1.6
220.06088	100.0
221.06433	5.1
226.01750	15.2
227.01895	1.4
238.01740	8.9
243.64899	1.1
257.04364	1.5
271.21246	1.1
282.00803	1.1
284.04840	1.3
300.01816	57.3
300.16840	5.3
301.02856	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	299.1286
Annotation	Myrigalone A
Peak:m/z	Relative Intensity
51.99439	0.2
52.71109	0.2
55.01748	0.5
57.03324	2.0
69.95573	0.9
79.01749	3.0
81.03349	0.5
87.04370	0.6
91.05402	0.2
93.03326	0.7
95.04884	0.4
97.02831	0.4
99.08033	3.6
107.04906	0.9
109.02799	0.7
109.06467	0.2
111.04412	0.4
121.06493	0.8
123.08049	10.6
124.08415	0.4
125.05946	0.2
125.98077	0.3
129.07004	0.2
131.04938	1.2
135.08037	0.6
142.79716	0.3
143.04936	0.3
143.08531	0.3
145.02838	0.3
145.06487	0.5
147.08003	0.5
149.04881	0.3
149.05991	4.1
150.06662	0.4
151.03842	0.2
151.07535	0.6
152.04665	0.7
156.05725	1.3
157.06439	0.6
159.04439	0.7
161.09518	0.3
163.07533	0.8
165.01877	0.3
167.07057	9.3
168.07475	0.3
169.04303	0.2
170.07233	0.7
171.04611	0.3
173.05992	4.5
174.06549	0.3
176.01033	0.3
179.03448	0.4
180.04245	1.4
185.05988	0.8
185.09619	4.3
186.09946	0.2
187.03922	0.9
193.04976	4.4
199.11208	0.4
200.08366	0.5
201.05463	0.9
201.77013	0.2
202.06285	1.0
208.07375	0.4
211.11217	0.5
212.04831	0.3
213.12798	3.3
215.03450	0.6
229.05061	1.4
230.05753	2.1
231.05965	0.3
237.12820	0.6
240.11467	0.3
255.13884	25.8
256.14252	2.1
271.13406	0.6
278.94305	0.2
281.11841	0.8
299.12872	100.0
300.13235	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	299.1288
Annotation	alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol
Peak:m/z	Relative Intensity
57.03329	0.7
59.01258	4.9
65.01579	0.7
69.42777	2.8
69.43219	3.1
79.01761	5.4
80.02104	1.9
88.62123	0.7
93.03360	0.8
94.22799	0.7
98.20557	0.8
99.08029	1.5
99.92462	1.0
109.02814	0.8
111.29500	0.7
117.03352	7.3
119.04935	2.6
121.02854	1.7
123.04415	0.8
123.08021	1.9
138.03012	0.8
145.02850	36.1
146.03259	1.5
149.06004	4.0
150.03171	3.9
150.06305	2.6
151.03598	5.4
151.06555	1.5
152.03568	4.4
152.04703	8.0
153.05423	2.0
156.05670	0.9
157.83269	0.7
162.03093	0.9
163.03900	1.3
164.04431	0.9
165.01817	1.9
167.07039	6.2
173.06055	3.5
177.01877	1.1
178.02664	3.9
179.03392	14.1
180.04227	59.4
181.04517	2.3
184.03700	2.3
185.00563	3.6
193.05042	4.5
194.05351	2.2
195.05469	3.1
207.10265	0.8
217.00217	3.3
217.41716	0.8
225.11176	1.6
237.22198	1.7
243.06682	1.2
255.10341	1.0
255.13658	5.0
256.10147	1.4
257.10785	1.7
267.10184	0.9
281.08313	1.1
281.11365	0.9
283.09464	1.2
284.03320	2.9
284.10510	19.0
285.10776	2.1
299.05502	2.6
299.09122	3.2
299.12637	100.0
299.16437	52.1
299.22183	2.9
299.25818	2.3
300.13062	6.7
300.16754	4.0
315.67017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73685	0.6
55.55838	0.7
59.01255	4.6
59.12339	0.8
63.02269	0.7
65.00245	0.7
65.03828	1.6
67.01763	2.6
67.18693	0.7
68.99677	0.7
71.04874	2.0
71.49267	0.6
75.52245	0.5
77.03867	0.6
79.01781	1.2
81.03316	1.4
81.03791	0.6
83.01270	0.7
83.04894	2.3
83.54284	0.6
93.03311	0.7
95.01263	1.6
95.04890	0.8
97.02798	0.7
99.04390	10.1
100.04742	0.7
100.39761	0.7
101.79366	0.7
105.50123	0.6
107.01283	0.7
107.04897	9.2
108.02039	1.8
109.02839	7.6
111.00748	2.8
112.60613	0.6
113.02239	0.6
117.03339	4.0
119.04898	1.8
121.02830	2.1
123.00800	1.6
123.03556	1.4
123.04412	23.1
123.05310	1.1
124.01551	13.6
124.04764	1.1
125.02306	2.5
127.03905	25.0
133.02831	1.0
135.00758	2.2
135.04393	2.2
137.02293	1.9
138.03159	0.8
145.02850	21.8
145.06508	1.2
149.02354	4.0
149.05969	1.4
151.00253	1.1
151.03918	14.6
152.01060	6.1
153.01828	3.0
156.00528	2.2
157.06458	1.0
164.04634	0.8
165.01749	0.9
165.05458	1.3
166.02562	1.5
169.10139	1.2
171.04411	4.1
171.08052	1.2
173.05995	4.0
177.01845	13.1
180.00554	17.4
181.00902	1.2
183.08087	0.9
184.05162	0.7
185.09619	0.8
193.01306	0.8
193.04997	3.8
195.02901	6.9
195.08031	0.9
198.06781	1.3
199.07465	1.1
211.07570	1.2
211.11212	1.3
213.09152	6.3
215.07076	1.4
217.00243	1.9
225.09146	1.2
227.10652	1.0
229.08681	0.7
237.09334	1.7
239.07109	6.6
240.07794	2.4
243.06601	1.4
253.08693	1.2
255.10255	7.1
256.03662	0.7
256.07306	1.0
257.08163	8.5
258.08563	1.1
267.06577	2.8
271.02377	1.5
271.06458	0.7
271.09711	0.9
281.08200	4.1
284.03281	1.8
284.06848	13.8
299.09225	100.0
299.16428	28.4
299.25763	1.7
300.09546	8.2
300.16818	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	299.0925
Annotation	Dehydromelanoxin
Peak:m/z	Relative Intensity
50.54942	0.5
55.01768	0.6
57.03323	1.2
59.01251	9.5
65.01316	0.5
68.99685	4.1
69.03315	0.6
69.14339	3.0
69.14769	2.2
69.25917	0.5
71.04882	4.1
73.02811	0.7
81.03327	1.8
83.01244	1.1
83.04878	3.7
91.16530	0.5
95.01265	1.1
95.04893	0.5
96.99176	1.6
97.02822	4.0
98.19852	1.0
99.04392	13.3
100.04713	0.6
101.03860	1.7
107.04902	0.9
108.02047	0.9
109.02831	1.3
111.00754	1.5
117.03316	1.6
119.04906	0.6
119.63163	0.5
121.02837	0.6
122.03555	0.6
123.00790	2.4
123.04404	4.1
124.98695	15.6
125.01446	1.0
125.02335	12.8
125.98987	0.6
127.03905	20.1
127.05332	0.8
128.04236	1.3
129.02158	0.5
129.07005	1.4
130.04106	1.0
131.04880	2.8
137.02336	1.4
138.03070	1.2
138.05542	0.5
139.00174	0.5
140.01050	1.1
143.04878	0.6
145.02861	7.6
145.06529	4.4
147.04420	1.9
149.02316	0.7
151.03831	1.4
151.48544	0.6
152.53734	0.5
155.04944	2.4
155.08554	1.1
156.05710	2.1
157.06493	8.5
162.03125	0.7
163.00140	0.6
167.03383	0.7
167.08575	3.8
169.10175	0.6
171.04422	22.4
171.08047	1.6
172.04984	1.7
173.05989	40.1
174.06395	2.4
181.33894	0.5
183.04457	0.6
184.05167	1.0
185.09572	0.9
187.03973	0.5
187.07593	0.6
195.08047	3.2
196.08722	0.9
197.05994	0.8
198.06781	1.0
199.07597	3.8
200.04633	0.7
201.05472	1.0
209.09738	0.7
211.07617	0.6
211.11125	1.3
212.08240	0.7
213.09178	3.0
215.07126	2.5
222.06836	0.7
225.09076	0.7
227.10649	2.4
235.07706	0.8
237.09090	2.7
238.06255	0.8
239.07101	12.7
240.07719	3.1
241.04913	1.0
243.02895	0.6
243.06609	4.0
243.13947	0.7
244.06903	0.7
253.08640	2.9
255.10255	5.6
256.07401	6.0
257.08163	76.2
258.08505	5.9
271.02493	1.1
281.08139	8.9
282.08466	0.7
299.02011	2.2
299.09229	100.0
299.16306	8.9
300.02597	1.1
300.09592	9.3
300.16702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
58.78012	0.8
59.01244	6.8
63.02265	1.0
65.03825	1.0
67.01754	1.3
68.99686	1.4
71.01229	1.2
71.04882	2.4
71.49377	1.3
71.79157	0.9
72.99181	0.8
74.69298	0.8
79.01762	1.7
81.03312	0.8
83.01247	2.1
83.04890	2.1
83.76266	0.7
89.02334	0.9
93.03329	2.2
95.01346	0.8
97.02829	1.1
99.04401	8.9
105.03357	1.1
107.01254	0.9
107.04917	7.4
108.02065	1.5
108.25864	0.8
109.02866	5.7
111.00755	1.5
117.03305	4.5
119.04887	2.0
121.02802	2.8
123.04408	17.9
124.01536	3.8
124.98704	1.7
125.02353	4.5
127.03903	22.2
127.05370	1.4
131.04871	1.1
135.00781	3.2
137.02325	3.5
138.03194	1.7
138.05467	1.0
145.02847	21.2
145.06470	3.6
145.07562	0.9
146.03218	1.1
147.04456	1.1
149.02339	2.3
151.00250	1.2
151.03918	12.3
152.01016	1.8
153.01804	1.4
157.06453	1.3
164.04730	1.0
165.01744	1.0
166.02664	1.8
169.10143	1.2
170.02083	1.0
171.04420	5.7
173.05980	8.2
177.01868	15.1
180.00586	2.4
185.09700	1.0
193.04977	2.3
195.02931	5.6
195.08087	1.1
199.04013	1.2
211.11349	1.3
212.08128	0.8
213.09119	4.1
215.07045	1.2
217.00288	3.3
217.66563	0.9
227.10826	1.3
235.07524	0.9
237.09123	3.4
239.07100	3.8
240.07578	1.1
243.06618	5.2
253.08670	2.9
254.09048	0.9
255.03003	1.8
255.10281	6.2
256.07321	1.1
257.08167	14.2
271.02393	2.7
281.08224	13.2
282.08591	1.4
284.03201	3.2
284.06873	2.3
299.01971	3.4
299.05923	4.4
299.09229	100.0
299.16397	32.7
299.25983	2.7
300.02570	2.0
300.09500	8.5
300.16797	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	299.0923
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
51.50523	0.5
54.75228	0.5
55.01765	0.6
59.01241	3.3
79.01760	23.8
79.28410	0.5
81.03316	3.6
83.04910	0.8
91.05399	5.0
93.03333	8.2
95.01260	0.6
97.02822	1.3
97.06450	0.7
99.04402	1.0
101.02288	0.6
106.04121	0.6
107.04927	0.8
108.02065	0.8
109.02826	1.2
111.04403	8.2
116.90789	0.5
117.03328	3.8
119.04912	61.9
120.05244	2.1
121.02835	1.6
121.06476	0.6
122.03685	0.6
123.04408	9.9
125.02351	1.1
127.03909	1.6
135.04413	26.2
136.01550	1.3
136.04749	0.8
137.02376	0.9
137.06010	0.8
139.11218	1.2
145.02852	17.5
151.00311	0.7
151.03886	4.7
153.01790	0.7
153.05469	0.8
165.05490	1.7
171.04416	0.9
173.06032	1.2
179.03410	41.1
180.03760	2.1
187.03928	0.9
191.93370	0.5
193.04982	7.1
194.08266	0.5
195.06543	2.1
197.04445	3.4
199.07587	1.4
200.32242	0.6
205.05003	6.4
213.09286	0.9
217.00293	1.9
229.08583	0.8
239.06891	0.6
243.03004	1.9
243.06657	0.7
253.08751	0.8
255.02957	2.3
255.10201	5.0
257.08148	2.2
267.10193	1.3
271.02472	6.4
281.08209	1.8
299.02515	3.1
299.09229	100.0
299.16351	28.1
299.25748	1.1
300.02722	6.6
300.09512	9.2
300.16809	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	299.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60709	0.6
51.75740	0.7
55.01781	1.4
59.01293	2.3
61.59380	0.7
68.99729	0.8
70.05624	2.7
74.50465	0.6
79.01774	3.8
87.00769	1.0
88.76382	0.7
93.44430	0.6
95.01260	3.1
96.02107	1.3
108.02104	2.2
109.02872	0.9
111.00758	3.7
117.03326	0.7
121.02815	0.6
123.00756	5.1
123.04496	0.8
124.01547	62.6
125.02339	1.0
127.23165	0.6
129.20888	0.6
137.02327	3.6
139.00284	1.6
145.02866	3.5
151.00328	2.6
152.01050	26.1
153.01500	1.1
156.00537	7.3
165.01837	4.5
171.04486	0.7
173.06020	1.0
180.00552	62.2
181.00912	3.1
183.08000	1.1
193.01350	6.2
227.07114	2.3
228.07852	1.8
255.10281	1.1
256.07422	4.1
260.06946	3.3
267.06610	1.1
281.07770	0.8
284.06885	100.0
285.07217	7.6
299.09210	52.5
299.16339	6.2
300.09546	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	299.0925
Annotation	Onysilin
Peak:m/z	Relative Intensity
53.70322	0.8
55.01750	1.6
59.01255	7.1
71.01235	1.1
71.48738	0.9
79.01766	21.2
79.15918	0.8
80.60390	0.9
81.03341	1.4
84.70905	0.9
91.05398	6.1
91.19338	0.8
93.03330	7.5
97.02801	1.5
99.92506	1.6
107.04886	1.6
109.02825	1.2
111.04403	8.7
117.03340	7.0
119.04915	59.0
119.09544	1.0
120.05261	1.7
121.02824	3.4
123.00781	1.1
123.04367	2.7
125.02357	2.3
127.03934	1.8
135.00731	1.1
135.04410	25.3
137.02370	1.3
143.05002	1.0
145.01695	1.8
145.02853	33.7
146.03160	1.3
149.02373	1.2
149.05981	2.1
151.00299	0.9
151.03922	5.3
153.01883	1.0
153.05418	1.7
159.08073	0.9
162.03160	1.3
165.01773	1.3
165.05484	2.2
166.38838	0.8
173.05942	2.3
174.99155	1.4
177.01772	1.5
179.03418	41.4
180.03766	0.9
193.04977	10.7
195.06520	6.3
197.04494	3.0
205.04910	4.9
217.00221	6.0
224.39743	0.9
255.10329	1.4
257.08115	2.8
271.02451	1.2
281.08188	1.9
284.03339	2.0
299.02106	2.5
299.05856	5.0
299.09238	100.0
299.16449	51.6
299.25925	3.6
300.02625	1.4
300.09549	10.3
300.16797	3.2
314.13446	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	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15465	0.7
56.05958	0.6
59.01234	1.1
65.00191	12.5
68.99679	0.9
96.99236	0.9
108.99220	1.0
109.01236	0.6
117.03365	1.2
120.99265	0.6
124.01572	2.1
136.98703	28.7
145.02882	4.3
145.06503	0.9
149.99408	0.8
152.01109	1.2
152.98207	1.2
153.06993	0.7
164.53130	0.6
164.98204	15.6
165.98589	0.7
169.06500	3.0
171.04446	4.2
173.06013	2.4
180.00618	3.7
181.06508	14.1
182.06842	1.2
183.04451	4.4
184.43517	0.7
193.01326	0.7
195.04457	0.7
195.06575	0.6
197.06024	2.5
199.03995	3.2
201.05534	6.1
213.05583	4.2
225.05537	0.8
241.05034	85.2
242.05383	5.6
257.08093	0.8
269.04550	100.0
270.04871	8.4
281.08044	1.1
284.06903	55.4
285.07217	5.7
299.09235	81.0
299.16333	8.3
300.09494	7.5
300.16977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
59.76072	0.3
70.40459	0.7
70.40852	0.6
79.01756	1.6
80.02107	0.4
83.03526	0.3
85.06459	18.5
95.04907	0.4
97.02820	3.3
101.03867	0.7
109.06485	1.0
111.04395	4.1
121.02840	0.4
123.04401	2.1
125.02388	0.6
133.35483	0.3
135.04324	0.7
138.03120	1.1
145.02852	15.9
146.03163	0.8
149.05962	0.9
151.00203	0.9
152.00677	0.4
153.05473	100.0
154.05809	3.5
166.02602	0.5
167.07072	0.7
173.05989	1.6
177.05461	0.7
179.03442	1.7
185.09627	0.8
193.05022	0.6
195.06532	3.0
213.09157	0.7
228.07420	0.4
228.74274	0.3
229.08685	0.4
243.06667	0.5
255.10237	3.5
256.06909	1.3
257.08209	1.9
299.09235	6.2
299.12509	0.4
299.16449	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	299.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55238	0.3
57.03336	0.3
58.57093	0.3
59.01234	2.3
63.02281	0.6
65.00163	0.4
67.01816	0.3
68.64341	0.3
68.99680	0.6
71.04895	2.4
71.26180	0.7
71.75990	0.3
79.01755	1.0
81.03334	0.3
83.01240	0.7
83.04889	0.5
85.02765	0.4
95.01248	1.3
95.04900	0.7
96.02058	0.5
96.99167	0.3
97.02808	1.4
99.04379	1.7
105.03322	0.8
107.01269	0.7
107.04890	0.4
108.02040	0.6
109.02831	2.0
111.00766	1.9
117.06964	0.6
121.02867	0.5
123.00731	0.8
123.04412	2.3
124.01538	7.0
124.98701	2.0
125.02315	3.1
127.03902	2.8
127.05416	2.7
130.04160	0.4
131.04897	0.9
133.02831	0.4
135.00760	3.0
137.02289	0.3
138.03108	2.0
139.00258	0.5
139.39720	0.3
140.99017	0.3
143.04915	0.9
145.06474	5.3
147.04414	0.8
149.02332	1.2
151.00206	0.4
151.03891	1.4
152.01033	2.4
155.04906	0.8
156.00572	0.8
156.05666	0.8
157.06488	1.9
165.01823	0.5
165.07072	0.4
166.02611	1.1
168.52116	0.4
170.02113	0.6
171.04427	3.3
172.05089	0.6
173.05988	14.4
174.06320	0.7
177.01842	7.7
179.03391	0.6
180.00565	2.1
183.08047	0.6
185.09619	0.9
190.02612	0.5
193.06500	0.5
195.08025	0.8
197.05922	0.9
199.07526	0.9
209.09572	0.5
211.07631	1.1
213.09161	0.8
215.07072	1.4
222.06845	0.5
225.09212	0.4
227.10695	1.0
235.07536	0.4
237.08997	1.7
238.06277	0.5
239.07091	4.2
240.07745	0.7
243.06575	10.2
244.06895	0.7
249.29912	0.3
253.08720	2.8
255.10176	1.6
256.07358	1.6
257.08157	12.9
258.08453	1.0
260.07010	0.4
263.07089	0.6
265.04971	0.9
281.08160	20.0
281.26865	0.4
282.08456	1.7
284.06802	1.2
299.09222	100.0
300.09567	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	299.0195
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
56.83327	0.5
63.02264	4.0
63.02542	0.7
65.00190	2.7
70.12703	3.1
76.80463	0.6
80.69228	0.6
83.01249	0.9
88.07034	0.7
89.00165	1.1
107.01258	3.1
108.02065	0.8
109.02840	4.8
115.05412	0.8
117.03332	1.8
119.01259	0.8
131.04868	0.8
133.02858	7.6
135.00745	1.1
143.04944	3.1
145.02850	4.7
147.00780	1.2
147.04411	1.0
148.01567	1.0
151.00281	2.9
153.52260	0.8
155.04907	0.9
157.02856	2.1
159.04393	1.3
163.00256	1.4
169.02847	1.4
170.03746	0.7
171.04471	6.7
173.02376	1.1
175.03943	3.4
182.03664	1.2
183.04472	1.6
187.03888	2.9
197.02393	2.0
198.03123	2.4
199.03943	12.0
200.04301	0.7
201.01892	5.2
203.03462	1.6
211.03944	0.7
211.13791	0.6
213.01845	0.7
214.02647	0.7
215.03429	5.9
226.02663	2.2
227.03477	6.8
242.02191	1.7
243.02965	9.8
255.02988	8.0
263.40091	0.7
271.02472	79.8
272.02725	5.3
282.01578	1.3
299.01953	100.0
299.16498	7.0
300.02576	23.5
300.16721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1131
Annotation	5,7-Dimethoxy-6-methylflavanone
Peak:m/z	Relative Intensity
50.73199	0.5
61.44501	0.5
68.99680	0.6
79.01760	1.7
107.03465	0.5
107.61549	0.5
107.70237	0.5
109.02843	1.8
119.04896	0.8
121.02838	1.3
122.03603	3.2
123.04381	0.8
125.05966	0.9
131.85060	0.6
137.02335	2.0
138.03139	0.8
143.54575	0.5
145.87782	0.6
149.02345	11.0
149.05974	0.9
150.03130	56.3
151.03514	2.5
154.53978	0.5
163.03922	3.9
173.10550	0.6
177.01833	2.2
178.02637	44.7
179.02991	2.0
191.03413	1.1
193.05022	1.8
205.04942	0.9
210.01642	7.2
253.08620	1.1
254.09422	5.1
255.10078	1.0
281.08224	2.4
282.05820	1.2
282.08975	22.2
283.09387	2.9
297.11319	100.0
298.11697	11.2
314.07928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02225	0.5
55.01757	1.5
57.03318	0.7
77.98994	0.4
79.01760	48.5
80.02083	1.4
97.07672	0.4
101.09989	0.4
109.02838	3.0
125.05962	1.6
149.05975	42.3
150.06310	1.3
159.08015	0.5
167.07025	1.4
171.04433	0.5
183.08102	0.6
188.92136	0.5
193.04979	48.6
194.05278	2.3
196.08774	1.1
211.11205	9.4
212.08235	0.6
253.12273	1.4
255.10237	25.2
256.10587	1.5
297.11298	100.0
298.11615	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	297.113
Annotation	(plusmn)-Enterolactone
Peak:m/z	Relative Intensity
51.02259	0.2
54.38628	0.1
55.01495	0.1
55.01756	2.5
57.03324	6.1
58.03655	0.2
59.01252	0.1
68.99687	1.3
69.88796	0.2
69.89209	0.3
71.84424	0.1
79.01762	17.5
79.05395	0.9
80.02084	0.2
81.90955	0.1
83.04884	0.2
87.04391	1.3
91.05415	0.1
95.04875	0.1
97.02824	0.1
99.00752	0.2
99.08022	0.5
101.03876	0.5
103.05413	0.1
106.04111	0.1
107.04889	0.1
109.02837	1.7
111.04373	0.1
111.20197	0.1
115.05418	0.3
117.03354	0.1
117.06969	0.2
119.04897	0.2
120.05699	0.2
121.06490	1.6
122.03641	0.2
123.00774	0.1
123.04393	0.1
123.08038	0.4
125.05965	1.0
127.05433	0.2
130.04115	0.3
131.04924	0.3
133.06494	0.2
141.06998	0.3
143.04929	0.3
145.06363	0.1
147.04416	1.1
149.02324	0.3
149.05988	16.1
150.03131	2.3
150.06306	0.3
151.03918	0.2
152.04640	0.2
155.08562	0.7
156.05684	0.1
157.06496	0.3
159.08060	1.5
161.05989	0.5
162.06772	0.4
163.03952	0.2
165.07047	0.1
166.06282	0.8
167.07062	3.4
171.04437	5.5
172.04788	0.2
173.05971	0.2
173.09657	1.5
175.07581	0.2
178.02620	1.3
181.06573	0.2
182.07280	0.3
183.08089	2.6
183.11670	0.1
185.06015	0.3
186.06834	0.1
191.03435	0.5
193.05003	15.7
194.05295	0.4
195.08098	0.3
196.08888	0.7
197.09627	0.4
200.08380	0.8
206.05740	0.2
209.09663	0.2
210.01622	0.2
210.06819	0.3
210.10397	0.2
211.06003	0.1
211.11240	1.7
212.11380	0.1
213.09128	0.2
220.08919	0.2
223.07599	0.2
225.12813	0.6
227.07030	0.1
229.12341	0.5
235.11237	0.2
237.09135	0.5
238.09990	0.4
241.08736	0.1
247.64688	0.1
253.12320	9.9
254.09422	0.1
254.12648	0.5
255.10252	1.3
265.54657	0.1
267.06622	0.1
269.11911	0.2
281.08301	0.2
282.08939	0.3
297.11304	100.0
298.11649	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1129
Annotation	(plusmn)-Enterolactone
Peak:m/z	Relative Intensity
52.39340	0.4
55.01755	1.7
57.03323	2.7
63.69212	0.4
64.11264	0.4
67.99091	0.5
68.99684	0.7
71.26371	0.6
71.26693	0.5
79.01759	10.2
87.04420	0.7
99.08041	0.7
109.02867	0.7
121.06506	0.5
133.52750	0.4
136.34293	0.5
149.05965	9.1
150.03113	1.6
159.08057	0.6
167.07101	2.2
171.04443	3.0
173.09660	0.8
178.02570	0.8
183.08073	1.2
193.04977	9.4
196.08914	0.6
211.11174	1.4
216.95807	0.4
253.12260	5.2
255.10309	0.6
282.97595	0.4
297.11298	100.0
298.11658	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	297.113
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
55.01756	2.0
57.03321	5.5
59.01242	2.2
68.99676	1.0
70.97636	0.8
70.97972	0.7
71.01243	0.8
71.21886	0.4
72.50597	0.4
79.01769	15.0
79.05402	0.8
87.04375	0.7
89.02343	0.7
109.02862	1.7
113.44608	0.4
114.41526	0.4
121.06441	0.9
123.08046	0.7
125.05917	0.9
129.25517	0.4
129.61133	0.4
130.04190	0.4
133.06461	0.4
147.04424	1.2
149.02373	0.4
149.05989	18.3
150.03111	2.7
155.08556	0.6
159.08072	0.9
162.06779	0.4
166.06244	1.0
167.07039	3.8
171.04433	5.0
173.09598	1.5
178.02626	2.1
183.01160	0.7
183.08054	1.9
191.03568	0.6
193.04987	19.0
194.05289	0.9
204.19713	0.5
211.11215	2.4
253.12332	9.2
254.12622	0.9
255.10266	3.9
282.08939	0.8
297.11319	100.0
297.24301	1.7
298.11679	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	297.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91772	0.4
54.78288	0.4
55.56689	0.3
57.10516	0.4
59.01247	1.2
68.99681	0.6
69.23025	1.2
69.23438	2.6
79.01760	3.1
79.95300	0.3
81.57471	0.3
83.01266	0.5
89.02338	0.5
97.52643	0.4
98.20554	0.9
101.02280	0.4
109.02821	1.4
119.04906	4.9
121.02824	0.7
122.03639	2.2
125.05971	5.1
137.02361	1.1
149.02339	6.0
149.05989	4.7
150.03134	36.4
151.03571	1.4
163.03926	2.3
167.07079	0.6
177.01854	1.3
178.02635	38.5
179.02980	1.5
182.02097	0.5
182.31610	0.4
183.08022	0.5
187.65289	0.4
191.03419	1.4
193.04997	9.0
205.04984	0.4
210.01642	3.3
212.08339	4.4
226.09949	0.5
240.07874	4.7
253.08617	0.9
253.12262	0.7
254.09496	2.7
255.10214	5.7
281.08206	5.4
282.08987	5.1
283.09296	0.5
297.11316	100.0
298.11691	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	297.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.2
57.03330	4.5
59.01250	7.2
65.17152	0.5
68.99673	2.6
70.77661	1.9
71.01234	3.0
73.02814	1.1
79.01767	15.2
81.36740	0.5
83.01264	0.8
85.02783	0.9
87.04368	0.6
89.02325	3.7
101.02309	1.8
101.03858	1.0
109.02778	2.0
113.02323	1.4
115.05423	0.7
119.03365	1.6
119.04901	0.6
121.02805	0.6
121.06459	1.2
123.04391	1.4
130.04118	0.7
131.04837	0.5
135.06490	1.5
141.07028	2.9
147.04413	1.1
149.02362	1.3
149.05988	15.4
150.03148	2.2
150.06305	0.5
151.00279	1.2
155.08543	2.4
159.08012	1.1
161.04457	1.2
161.05908	0.7
166.02068	0.6
166.06096	0.6
167.07152	3.3
167.08357	0.8
169.06448	2.3
171.04424	13.0
172.04756	0.8
173.09628	1.5
178.02611	1.8
179.05524	0.9
181.83614	0.5
182.07266	0.8
183.06535	0.9
183.08069	10.5
185.06047	0.7
193.04999	16.9
194.05505	0.5
195.08090	0.6
197.09724	0.6
198.06792	0.8
200.08379	1.3
207.07993	1.2
209.09642	0.6
210.06790	1.5
211.07582	4.7
211.11188	4.4
225.09137	6.7
235.07597	4.4
238.06325	9.8
253.08643	18.8
253.12289	8.3
254.09047	1.4
255.06618	1.6
255.10255	9.8
269.08170	5.6
297.07700	9.0
297.11285	100.0
297.24240	3.4
298.08258	0.9
298.11612	9.5
303.20700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0767
Annotation	Eutypoid D
Peak:m/z	Relative Intensity
55.01771	1.4
57.03317	2.3
58.00473	1.2
59.01249	26.5
66.82383	1.1
69.31775	7.7
69.32193	2.0
71.01254	17.6
72.99173	2.1
73.02814	2.6
79.01759	19.7
80.02137	1.2
83.49651	1.1
85.02827	4.5
87.00733	1.8
89.02322	20.3
90.70889	1.2
101.02319	11.3
109.02841	2.2
113.02338	6.4
115.05428	4.3
117.03322	2.1
118.54523	1.1
119.03396	8.8
119.04900	1.8
121.02844	1.8
123.04394	6.1
130.04179	1.7
135.04367	1.6
135.06537	6.3
141.06999	13.2
143.03410	1.5
147.04361	1.4
149.02356	2.0
149.05975	15.0
150.03143	4.5
155.08546	12.2
161.04488	4.3
162.03134	1.7
163.03810	1.5
163.98479	1.1
165.07037	1.6
168.05714	2.2
169.06511	5.4
171.04462	3.8
178.02682	3.1
179.05484	5.2
181.06480	1.8
183.08069	44.6
184.08348	2.3
193.04974	20.0
193.06541	2.6
194.07118	1.3
197.05951	1.6
197.09601	3.4
207.08086	7.3
209.05977	3.3
209.09673	3.9
210.06763	4.3
211.05693	2.3
211.07587	29.9
211.10951	2.3
212.07979	2.9
223.07600	1.1
225.09160	21.5
226.09521	2.5
235.07622	7.9
237.05499	3.0
237.09769	1.2
238.06311	57.4
239.06711	3.8
251.07231	1.3
253.08664	100.0
254.06664	1.1
254.08961	6.8
255.10251	9.2
269.08176	2.9
279.06485	2.0
288.99359	1.1
297.07684	24.9
297.11407	61.5
297.24393	13.9
298.08215	2.2
298.11771	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01244	3.1
61.48878	0.7
71.20272	1.7
79.31555	0.7
125.09610	1.3
151.11136	1.4
168.35179	0.8
171.04465	1.6
171.10175	38.4
172.10555	2.3
195.13873	1.1
197.76192	0.8
204.69144	0.8
220.72397	0.8
229.81903	0.7
276.84814	0.8
277.21722	47.5
278.22098	3.0
295.09784	2.5
295.22766	100.0
296.23062	7.5
303.31256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09054	0.4
57.03297	0.4
57.24963	0.4
59.01249	5.9
65.67185	0.4
66.61680	0.4
69.29402	0.4
70.62200	0.4
70.62539	0.9
71.01242	3.6
73.02798	0.7
79.01758	3.0
79.95609	0.8
85.02814	1.0
85.31190	0.3
87.00703	0.4
89.02318	4.1
96.95884	100.0
98.19792	0.4
101.02306	2.5
113.02316	1.6
119.03365	1.8
123.46140	0.5
125.02335	0.7
135.06525	1.4
139.14354	0.4
149.06010	2.7
150.03131	0.7
152.01414	0.4
155.10674	2.2
161.04433	0.7
171.10172	2.6
178.02640	0.8
179.05518	0.9
193.04927	3.2
211.11214	0.5
217.10757	9.2
217.12714	0.7
231.96841	0.4
237.07607	0.4
237.10027	0.4
242.39108	0.4
255.10289	1.5
282.09015	0.6
297.06470	24.9
297.11432	10.2
297.24313	3.2
298.06720	1.3
298.11606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0972
Annotation	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
Peak:m/z	Relative Intensity
59.01243	10.7
59.20819	0.7
65.03825	4.7
66.18746	0.6
67.85950	0.6
69.76424	0.6
71.01250	3.6
71.02587	0.7
71.29606	1.7
73.02837	1.1
76.94659	0.7
85.02812	1.5
87.42792	0.8
89.02298	1.9
101.02324	3.2
115.05412	1.1
119.04850	0.9
121.02816	0.7
133.04953	2.2
141.41837	0.6
147.04422	7.1
161.04507	1.0
165.06963	0.8
191.08588	1.3
205.10184	6.7
207.11710	11.4
208.16875	0.8
222.47267	0.8
251.10733	43.2
252.11023	3.8
253.09299	1.4
295.09735	100.0
296.10083	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03327	1.0
58.22229	0.7
59.00967	0.8
59.01248	9.5
60.30764	0.7
71.01250	3.6
73.02795	0.7
85.02798	1.7
89.02311	0.7
99.00700	1.0
101.02319	2.8
113.09595	2.5
133.04953	1.9
161.04460	2.0
171.04462	2.1
179.14294	0.9
183.13765	3.7
186.97351	0.7
195.13847	21.4
196.14217	1.5
223.66643	0.7
226.05701	0.7
277.21716	25.7
278.22018	1.8
295.09949	4.8
295.22775	100.0
296.23077	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.2
59.01252	2.6
64.29565	0.5
71.01242	2.8
71.41157	0.9
73.02773	0.6
80.25895	0.5
85.02786	0.6
87.82623	0.5
89.02316	2.2
96.95855	1.0
97.06403	0.8
101.02318	0.9
105.18662	0.5
125.09639	5.4
141.12733	0.8
149.09616	1.3
161.04474	1.1
185.11755	9.3
193.15845	1.0
197.11714	1.8
220.14656	1.8
221.15369	3.2
236.10487	2.4
249.22185	0.7
275.20209	0.9
293.08881	3.1
293.21222	100.0
294.21576	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2128
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.84616	1.0
59.01241	4.1
64.25886	1.1
69.96654	3.8
69.97069	2.3
71.01228	2.2
89.02319	1.8
104.83303	1.2
121.10125	49.4
122.10475	2.0
125.09620	2.1
161.04449	1.4
171.10182	87.7
172.10612	2.7
183.13811	3.2
185.11743	4.4
191.10669	1.2
192.37617	1.3
220.14783	1.2
221.15533	1.6
231.21129	4.9
235.17097	3.4
236.10474	2.3
275.20154	100.0
276.20517	11.0
293.08795	2.6
293.21222	73.0
294.21671	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	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.79069	0.6
51.16892	0.7
59.01232	1.7
69.01484	0.6
70.76336	0.6
71.06916	1.6
74.76155	0.6
75.74494	0.6
111.08013	1.0
145.68852	0.7
167.10689	0.7
177.12849	0.8
179.14265	1.4
195.13829	14.7
196.14462	1.2
198.31723	0.7
223.13339	11.6
228.13609	2.3
231.21072	1.0
256.13254	4.4
275.20154	8.5
276.20435	1.0
277.13687	0.6
293.21216	100.0
294.21533	8.4
306.95248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33284	0.7
53.07002	0.6
57.03327	0.7
59.01239	2.9
69.03290	0.9
70.78201	2.1
71.01246	3.3
85.02826	1.0
89.02301	1.8
96.95866	1.2
98.32631	0.8
109.06449	1.8
113.09595	1.6
127.07507	0.8
128.59581	0.7
131.03342	1.0
136.08792	0.7
161.04456	2.0
167.10716	1.5
179.14325	1.2
183.13823	29.8
184.14107	0.8
193.15776	0.7
195.13857	11.8
196.14243	1.4
197.11722	0.9
205.12244	1.3
211.13318	8.6
220.14653	1.5
221.15411	2.2
223.13373	10.0
224.13861	0.9
228.13608	1.6
236.10481	1.2
249.22119	0.7
256.13062	2.5
265.21677	1.8
275.20160	16.7
276.20639	1.0
293.08685	4.7
293.21213	100.0
294.09222	0.8
294.21552	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23235	0.5
57.03318	4.8
59.01245	4.3
59.68853	0.5
70.23740	1.5
71.01253	1.2
89.02308	1.7
97.06483	1.3
101.44514	0.5
101.92719	0.5
113.09599	18.3
121.02831	0.6
121.10123	3.6
125.09634	0.7
126.26411	0.6
131.03465	0.5
138.18387	0.6
139.11174	2.3
149.09564	0.9
167.10663	2.2
171.10173	8.1
177.12794	1.1
179.10667	1.8
180.81425	0.6
185.11809	0.6
188.02039	0.5
195.13812	3.3
220.14577	0.7
221.15341	1.5
231.21040	0.7
236.10445	1.6
238.59846	0.6
249.22139	1.9
266.58939	0.6
273.44250	0.6
275.20163	10.7
276.20490	0.8
293.08865	2.6
293.21201	100.0
294.21558	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.88303	0.4
59.01233	0.6
69.14708	1.5
69.15126	2.9
70.79440	0.4
71.01231	0.4
78.19315	0.4
80.02576	0.4
95.04884	0.7
97.06434	0.7
98.19775	0.9
119.04899	0.5
125.05977	0.7
148.08824	1.2
150.10413	0.8
163.11232	0.9
165.12761	21.7
166.13133	1.1
176.12000	0.5
191.14305	0.7
247.20621	10.9
248.20897	0.6
273.18604	6.3
274.18918	0.7
279.89529	0.4
291.19653	100.0
292.20016	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68360	0.4
59.01235	0.4
59.20567	0.4
70.87122	1.1
71.01253	8.8
76.63764	0.3
77.64314	0.3
78.71789	0.4
95.14687	0.3
118.81184	0.3
127.07532	1.0
148.05164	1.5
151.07593	0.8
153.37497	0.3
164.08301	1.4
177.09123	5.7
192.11501	7.4
205.12286	7.8
206.12659	0.6
207.13818	1.6
217.08507	0.4
218.09413	1.6
220.14630	49.5
221.15402	100.0
222.15759	5.8
235.13336	0.8
236.10497	69.4
237.10861	5.1
239.76305	0.4
293.08841	0.7
293.17621	8.8
293.20813	0.6
294.17578	0.5
294.42032	0.4
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	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01264	0.6
70.36104	1.1
73.02818	57.0
74.03150	0.8
75.22938	0.3
85.12623	0.3
221.82117	0.4
223.85349	0.4
291.19662	100.0
292.19986	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
59.01257	3.9
69.03319	0.6
69.40714	1.6
69.41145	2.3
71.01255	0.7
71.04888	30.1
82.25874	0.4
83.04870	0.7
88.22327	0.4
95.04863	0.5
97.05888	0.9
97.06464	9.5
107.04870	0.6
111.08026	2.0
115.91978	0.6
121.02852	1.3
121.47697	0.6
133.06462	0.7
157.12192	0.5
163.14864	0.7
165.12811	0.5
167.10643	0.6
177.12692	0.6
179.10753	0.6
181.12253	1.8
195.13768	1.4
207.13828	2.9
217.16008	1.0
219.13849	4.5
235.17046	3.0
247.20644	2.9
273.18640	2.5
291.19638	100.0
292.20013	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	291.091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
59.96586	0.2
60.97369	0.4
72.60091	0.2
74.98939	1.4
77.49437	0.2
93.00011	0.9
98.20583	0.4
110.86979	0.2
121.02850	0.3
134.99222	0.2
136.97153	0.2
149.00851	2.3
150.98860	0.2
161.06316	1.2
190.07645	0.2
192.98056	1.5
206.99600	0.6
209.01202	4.5
210.01289	0.3
217.07161	2.1
225.00729	0.8
241.30696	0.2
275.05981	0.7
289.07544	2.5
290.07663	0.3
291.09085	100.0
291.19638	2.2
292.09204	11.0
292.19888	0.2
309.10168	2.2
310.10184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.8
59.01245	3.9
65.34770	0.5
69.40964	4.5
71.01247	0.5
83.04876	1.1
95.04886	0.8
97.06449	0.6
111.08039	14.1
113.09602	0.8
125.28537	0.5
135.11696	0.7
137.09549	0.9
142.48985	0.4
142.64842	0.5
144.18906	0.5
149.09650	0.8
167.10655	2.3
177.12769	2.8
179.10698	2.1
195.13843	9.8
247.20784	2.7
273.18594	1.4
291.19641	100.0
292.19983	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	287.2226
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
79.81082	0.2
99.08022	2.0
111.08078	0.3
113.09560	0.3
124.01550	0.4
125.02308	0.6
127.11136	0.3
129.09087	1.0
139.03903	1.4
139.11201	0.4
141.12749	1.8
155.14301	0.7
173.97504	0.3
176.65706	0.2
207.38142	0.2
223.20515	0.3
235.13239	0.2
239.20102	0.4
241.21678	1.5
267.19534	0.3
269.21210	3.4
270.21515	0.4
285.20670	2.0
287.22250	100.0
288.22592	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	287.2229
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.85180	0.1
56.75008	0.1
57.03320	0.5
57.30355	0.1
70.51411	0.4
81.03368	0.1
83.04902	0.6
87.60657	0.1
97.06454	0.3
97.34530	0.1
99.08044	2.0
101.05943	0.1
109.06487	0.2
109.92293	0.1
111.08041	0.2
125.02348	2.3
127.11189	0.2
129.09149	0.8
139.11171	0.4
141.12755	2.3
143.10640	0.2
155.14320	0.6
159.10182	0.2
161.02342	0.5
199.06058	0.1
205.38419	0.1
211.20691	0.3
223.20593	0.2
239.20222	0.3
241.21645	1.3
249.18567	0.2
250.21794	0.2
267.19604	0.2
269.04510	0.2
269.21228	3.5
270.21530	0.3
285.20654	2.1
286.20953	0.2
287.22278	100.0
288.22626	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	289.0354
Annotation	Anhydrofulvic acid
Peak:m/z	Relative Intensity
51.96496	0.8
57.03320	6.9
59.01233	1.5
63.02267	1.6
65.00196	7.3
65.03822	1.8
67.01736	2.3
68.99686	2.1
71.01252	1.0
71.06286	1.7
73.39406	0.7
77.03822	1.0
80.02518	0.9
81.03326	9.6
83.01251	13.9
93.03329	17.8
95.01272	2.1
95.04902	0.9
105.03339	5.6
107.01276	8.1
107.03758	0.9
107.04921	4.2
109.02834	24.9
111.00777	1.3
117.03346	2.2
119.04917	2.5
121.02817	1.5
123.00761	1.2
123.04421	4.3
124.01553	2.0
125.02338	48.1
129.06944	1.0
130.04124	1.3
131.04872	4.0
133.02835	6.9
133.06473	2.1
134.03654	1.0
135.04433	7.7
137.02338	62.0
138.02678	1.9
143.04912	1.0
145.06462	1.9
147.04410	7.5
148.01505	1.0
149.02293	3.0
149.05959	1.9
150.03104	2.7
151.00262	23.3
151.03909	14.7
152.01118	4.9
155.04915	0.9
157.06398	1.0
158.03593	1.8
159.04399	4.2
161.02348	7.0
161.05975	1.6
164.01059	3.0
164.04674	1.2
165.01826	2.9
165.05482	8.1
169.01389	0.9
171.04359	1.5
172.05235	1.0
173.02411	2.2
173.06023	5.3
174.03136	9.5
175.03925	13.5
177.01820	5.8
177.05486	4.2
178.02644	1.1
178.99780	11.0
179.03401	12.1
183.04315	1.3
187.03880	3.2
188.04733	1.9
189.05463	7.1
191.03458	0.9
191.05479	2.4
192.04192	2.5
193.04976	18.4
199.03938	2.9
201.05499	4.9
202.02718	1.6
203.03418	13.6
205.01361	11.1
206.01689	1.2
215.03372	1.9
216.04221	10.4
217.04994	20.5
218.05345	1.1
221.04488	38.9
222.04797	2.4
227.03458	7.2
228.03778	0.9
245.04517	66.6
246.04813	4.4
247.02434	56.9
248.02789	2.9
253.23059	0.9
261.03967	5.3
271.02496	2.0
289.03537	100.0
290.03918	6.4
305.58893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1287
Annotation	Celaphanol A
Peak:m/z	Relative Intensity
56.08476	1.6
63.02263	2.6
68.99680	32.8
71.01241	7.6
71.28603	3.7
73.02788	2.1
79.05404	1.9
91.01766	1.9
95.01254	2.9
96.99285	1.6
102.16791	1.6
107.04886	3.4
108.02048	3.4
111.00737	2.1
117.06927	1.9
119.01260	2.8
119.04892	2.9
121.02847	10.0
123.00753	6.7
123.04407	5.0
124.01534	2.6
125.02330	4.0
131.04909	2.8
131.08562	5.2
135.00739	1.7
136.01526	6.3
139.00319	3.2
139.03856	1.9
143.04929	5.3
145.02873	2.3
145.06422	2.4
147.04428	3.9
148.01559	3.0
149.02351	13.7
150.03078	3.9
157.06500	8.4
159.04416	14.1
159.08063	7.5
160.05191	4.5
161.02403	3.5
161.05986	10.8
162.06735	3.0
163.00262	8.4
171.04454	3.4
171.08034	2.0
172.05212	5.8
173.02347	3.1
173.06012	19.1
174.06784	23.2
175.03938	19.2
175.07500	13.6
176.01093	1.8
176.04333	2.8
182.49083	1.5
185.05965	4.7
186.06828	13.6
187.03900	7.1
188.04689	3.9
189.05501	39.4
190.06252	20.2
201.01717	1.9
201.05440	8.1
203.03426	22.8
203.07068	40.8
204.04153	2.5
204.07472	1.9
216.07277	1.8
217.04991	25.3
217.07362	2.5
218.05809	26.9
218.09406	11.1
219.06194	3.6
227.14433	7.8
231.13898	2.8
243.13873	4.9
255.13840	26.8
256.14145	2.0
259.13412	16.7
269.11758	3.0
272.14160	95.7
273.14502	6.6
287.02078	2.8
287.12823	100.0
287.16006	43.2
287.22192	5.1
288.13181	9.7
288.16260	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	Unknow
Peak:m/z	Relative Intensity
58.34452	1.1
59.01240	2.4
63.02281	1.7
68.99686	28.7
69.68385	3.3
69.68815	3.6
71.01267	5.6
73.02823	2.3
91.01778	1.5
93.03337	1.8
107.04906	1.3
108.02048	3.2
109.02810	1.5
111.00712	1.7
115.05404	2.2
117.06985	1.6
119.01261	1.9
119.04928	1.5
121.02841	9.6
123.00764	4.2
123.04399	2.1
124.01546	1.6
125.02328	1.6
131.04913	2.5
131.08565	4.1
135.00784	1.8
135.04366	1.5
136.01566	3.8
139.00284	2.1
139.02330	1.4
139.03923	1.1
140.02408	1.4
143.04927	3.9
144.05710	2.2
145.02850	1.6
145.06471	3.5
146.03569	2.0
147.04427	2.0
147.08035	1.8
148.01588	2.5
149.02354	13.8
150.03094	1.5
151.00317	1.2
151.03917	3.0
157.06511	5.9
159.04422	8.8
159.08051	6.6
160.05188	2.9
161.02361	2.4
161.05988	6.4
162.06750	1.6
163.00311	5.0
164.01080	2.3
164.04712	2.6
171.04448	3.3
172.05214	5.2
173.02309	2.7
173.06020	12.4
174.06775	18.5
175.03914	11.6
175.07545	13.8
176.01076	1.4
178.02756	1.4
185.05981	4.6
185.25862	1.1
186.06796	12.3
187.03961	4.6
188.04745	3.3
189.05508	27.5
190.06239	14.3
193.89127	1.2
201.01871	1.6
201.05542	7.3
203.03444	15.1
203.07079	36.3
204.04041	2.6
204.07516	3.4
205.04877	1.4
216.07481	1.9
217.05043	15.0
217.07370	1.7
217.08408	1.4
218.05800	27.6
218.09395	12.3
219.06256	1.9
219.13976	1.3
227.14372	8.3
231.13924	1.5
243.13852	4.2
255.13911	24.8
256.14178	1.6
259.13385	13.6
260.13889	1.9
269.11899	3.4
272.14175	100.0
273.14517	9.4
287.01987	1.5
287.12863	94.9
287.16071	42.0
287.22226	4.4
288.13239	10.9
288.16406	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	287.0924
Annotation	Asebogenin
Peak:m/z	Relative Intensity
55.72939	0.4
57.03066	0.5
57.03325	7.5
59.01227	1.6
63.02259	0.7
64.89971	0.4
65.00185	1.3
65.59234	0.4
71.04882	1.9
71.29092	0.8
79.01746	2.2
81.03329	2.8
83.01257	5.0
89.00169	0.5
91.05417	0.4
93.03332	12.1
95.04330	0.8
95.04900	11.6
96.54578	0.4
97.02818	2.6
105.03345	5.4
107.04898	0.6
119.04921	11.1
120.05238	1.7
121.02856	3.0
122.03587	1.4
124.01546	7.3
125.02336	40.5
126.02643	0.6
135.04478	0.7
137.02353	0.8
137.05984	23.2
138.06270	0.6
139.03909	21.9
143.04907	0.5
147.04437	0.6
149.02339	1.2
149.05901	0.4
151.00291	1.1
152.01065	4.6
159.04425	0.5
161.02353	14.4
162.02777	0.8
163.03894	0.9
165.01868	4.5
166.02654	6.2
167.02350	1.6
169.06419	0.5
177.05501	1.9
178.02682	0.5
181.04984	100.0
182.05273	3.2
189.05470	1.4
193.04997	6.0
197.06042	0.7
201.05525	1.2
225.05511	0.5
243.06526	0.9
269.04636	1.6
285.20993	0.5
287.02109	1.8
287.05643	3.0
287.09244	50.4
287.22256	10.2
288.09604	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	287.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72939	0.4
57.03066	0.5
57.03325	7.5
59.01227	1.6
63.02259	0.7
64.89971	0.4
65.00185	1.3
65.59234	0.4
71.04882	1.9
71.29092	0.8
79.01746	2.2
81.03329	2.8
83.01257	5.0
89.00169	0.5
91.05417	0.4
93.03332	12.1
95.04330	0.8
95.04900	11.6
96.54578	0.4
97.02818	2.6
105.03345	5.4
107.04898	0.6
119.04921	11.1
120.05238	1.7
121.02856	3.0
122.03587	1.4
124.01546	7.3
125.02336	40.5
126.02643	0.6
135.04478	0.7
137.02353	0.8
137.05984	23.2
138.06270	0.6
139.03909	21.9
143.04907	0.5
147.04437	0.6
149.02339	1.2
149.05901	0.4
151.00291	1.1
152.01065	4.6
159.04425	0.5
161.02353	14.4
162.02777	0.8
163.03894	0.9
165.01868	4.5
166.02654	6.2
167.02350	1.6
169.06419	0.5
177.05501	1.9
178.02682	0.5
181.04984	100.0
182.05273	3.2
189.05470	1.4
193.04997	6.0
197.06042	0.7
201.05525	1.2
225.05511	0.5
243.06526	0.9
269.04636	1.6
285.20993	0.5
287.02109	1.8
287.05643	3.0
287.09244	50.4
287.22256	10.2
288.09604	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	287.0561
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
56.96475	0.2
57.03323	14.0
58.03663	0.4
59.01242	1.7
61.18560	0.2
61.71708	0.2
65.00201	0.2
69.46837	0.2
70.88953	0.5
70.89285	0.2
73.17394	0.2
81.03325	2.3
83.01260	4.2
83.01733	0.3
95.04904	1.4
105.02648	0.2
105.03349	4.3
107.01272	0.8
109.02836	0.3
119.04954	0.3
121.02825	0.4
124.01542	0.4
125.02337	100.0
126.02679	2.8
131.04951	0.4
132.02052	0.3
133.02859	0.9
135.04413	3.2
137.02339	0.5
143.04933	0.4
145.06500	0.5
147.04416	0.5
149.02353	1.7
151.00282	3.0
151.03915	0.7
159.04448	0.8
160.01608	0.2
161.02351	35.8
162.02757	1.6
163.03810	0.3
165.05464	0.5
169.01320	0.3
169.06474	0.2
171.04427	0.4
173.06026	0.5
174.03198	0.3
175.03947	1.5
177.05486	5.4
181.05000	0.2
183.04417	0.6
185.02280	0.5
185.06018	0.3
197.06061	0.8
199.03944	0.7
201.01918	0.4
201.05519	2.4
203.03520	1.0
213.05536	0.5
215.03371	0.8
217.01326	0.5
217.04996	0.5
219.06538	0.9
225.05551	1.4
225.15030	0.3
227.03471	1.1
227.12849	0.9
229.01389	0.8
231.02945	0.2
241.04965	0.5
243.02922	0.3
243.06580	1.4
259.02472	0.4
269.04550	4.8
269.14069	0.3
270.04791	0.5
285.04135	0.4
287.02014	4.7
287.05600	13.6
287.14954	1.5
288.02527	0.5
288.05954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
57.03056	1.0
57.03322	15.3
68.31603	0.8
81.03323	2.2
83.01239	2.9
83.66895	0.8
95.04890	0.9
97.46342	0.8
105.03341	2.9
109.02848	0.9
112.45669	0.9
118.78350	0.7
119.04836	0.8
121.02815	1.4
125.02335	100.0
126.02692	3.1
131.04929	0.8
133.02809	1.7
137.02328	1.1
144.56044	0.7
147.04422	1.5
149.02391	6.7
151.03839	1.0
159.04366	1.0
159.06531	0.9
161.02353	29.2
162.02881	2.1
173.02376	1.3
173.05946	1.2
175.03912	2.3
177.05449	3.6
183.04422	1.8
185.02335	1.1
197.05980	3.3
197.45006	1.1
199.03947	2.2
201.01851	2.5
201.05458	3.6
203.03479	1.0
213.05489	1.9
217.04945	0.9
219.06505	2.3
225.05463	3.3
227.03435	5.2
229.01419	4.2
241.05043	1.0
243.06580	2.8
245.04395	1.1
264.88773	0.9
269.04544	18.2
270.04968	1.1
287.01987	2.6
287.05521	16.5
288.05920	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	287.0562
Annotation	SCHEMBL476381
Peak:m/z	Relative Intensity
57.03311	4.7
59.01245	1.9
59.22141	1.2
65.00191	5.8
65.40591	1.0
67.01760	2.7
68.99679	5.2
69.03316	1.4
70.65946	3.3
71.01256	1.5
71.05497	1.0
79.01764	1.4
81.03326	3.0
83.01243	7.7
87.78956	1.1
91.20898	1.1
93.03326	6.1
93.03866	1.0
95.01259	9.8
97.02908	1.4
99.00756	13.0
107.01252	4.6
109.02816	4.0
111.00761	6.3
117.03352	3.4
118.78444	1.1
119.04916	65.3
120.05235	2.6
121.02802	3.1
123.00769	19.9
123.84022	1.1
124.01534	1.9
125.01459	2.2
125.02341	33.7
126.02667	1.4
126.03875	1.1
133.02798	1.3
135.04405	27.9
136.98662	2.4
137.02336	7.6
139.00229	7.5
141.01825	4.5
143.04922	4.8
145.02814	5.8
145.06488	2.3
147.04433	3.6
151.00282	23.2
153.01836	20.6
154.42534	1.1
156.05714	2.4
157.06514	2.3
159.04420	2.2
161.02306	6.3
163.03909	1.8
165.01813	4.8
166.99762	24.2
169.06438	1.9
171.04381	4.4
173.06039	5.6
177.05481	1.7
181.01288	3.5
187.03995	5.6
189.05489	23.3
197.06004	3.7
199.03969	2.5
200.04683	2.4
201.05495	3.4
213.14885	8.5
215.07063	2.1
217.04892	1.4
217.77547	1.2
219.06589	1.7
225.05479	3.5
241.05020	5.8
243.06557	5.4
245.04552	7.9
255.12923	1.2
259.06226	8.8
269.04565	18.1
287.05579	100.0
287.22226	6.4
288.05875	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	287.0563
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
57.03322	8.2
63.02274	1.5
65.00194	11.9
66.94267	0.7
70.25758	2.3
81.03329	0.9
83.01260	8.1
95.04900	1.4
105.03352	2.3
107.01270	16.8
109.02828	2.5
119.04932	0.7
125.02333	63.9
126.02688	1.9
134.03632	1.8
135.04414	100.0
136.04745	3.6
139.03886	0.8
147.04535	0.8
149.02332	1.4
151.00275	86.7
152.00598	3.5
161.02351	21.5
162.02805	1.3
165.01822	1.1
169.01288	3.1
171.04477	1.0
175.04010	1.3
177.01921	0.7
177.05510	3.5
181.05016	0.8
183.04416	1.4
185.02580	0.6
197.06116	1.1
201.01840	1.0
201.05502	2.2
203.03372	0.7
213.05556	1.8
219.06618	1.1
225.05435	0.9
227.03513	2.4
228.07663	0.6
229.01398	1.4
243.06659	1.4
259.02448	1.0
269.04553	8.8
269.08072	1.8
287.02017	4.0
287.05612	20.9
287.09171	3.7
287.22272	1.4
288.02869	0.7
288.06012	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	287.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	16.8
59.01239	1.2
62.59786	0.2
70.82942	0.4
70.83308	0.5
77.03815	0.3
81.03323	2.3
83.01255	3.7
92.40527	0.2
93.03365	0.3
95.04885	2.0
98.20602	0.2
105.03341	4.6
117.06996	0.2
119.04943	0.3
121.02818	0.7
125.02337	100.0
126.02680	2.5
132.02020	0.3
133.02863	1.0
138.48808	0.3
145.06522	0.4
147.04405	1.0
149.02307	1.9
149.05936	0.3
151.03888	0.6
155.04886	0.2
158.03616	0.2
159.04410	0.7
161.02351	33.9
162.02858	1.9
167.63666	0.2
171.04457	0.2
173.06013	0.6
175.03967	1.3
176.67447	0.2
177.05481	5.8
178.05899	0.3
183.04425	0.7
185.02391	0.4
187.03894	0.3
197.06050	0.7
199.04005	0.5
201.01759	0.3
201.05481	2.3
203.03394	0.5
213.05472	0.3
214.71057	0.2
215.03380	0.4
217.05003	0.3
219.06543	1.0
225.05504	1.0
227.03487	1.0
227.12875	0.7
229.01326	0.4
243.02896	0.3
243.06613	1.7
245.04442	0.4
259.02545	0.5
269.04532	3.7
270.04840	0.3
285.04254	0.3
287.01974	4.2
287.05594	7.9
287.15024	0.9
288.02554	0.5
288.05902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	SCHEMBL476381
Peak:m/z	Relative Intensity
57.03317	5.6
59.01241	1.7
62.37351	1.2
65.00183	4.9
67.01756	2.0
68.99687	3.8
69.03313	1.6
69.48652	4.9
69.49092	4.7
69.83614	1.2
70.46813	1.3
70.65849	1.1
71.01228	1.7
79.01762	1.9
83.01255	6.0
85.56590	1.2
93.03336	3.5
95.01272	12.0
99.00751	12.6
105.03342	1.8
107.01252	3.9
109.02837	4.5
111.00750	5.1
117.03344	3.3
119.04917	59.9
120.05223	3.1
121.02848	3.1
123.00768	18.2
124.01112	1.3
125.02333	39.5
126.02682	1.6
132.92853	1.5
135.04414	23.5
136.98708	2.2
137.02328	4.3
139.00247	5.2
141.01807	3.0
143.04910	4.8
145.02847	6.3
145.06546	1.6
147.04362	2.2
149.02382	1.5
150.12444	1.3
151.00278	15.1
153.01837	23.0
155.04915	1.3
156.05745	2.2
159.04416	1.5
161.02356	10.5
161.06073	1.3
165.01814	4.5
166.99763	23.3
169.06503	2.4
171.04454	2.5
172.56801	1.2
173.06039	3.4
177.05481	2.0
181.01335	3.4
185.05824	1.3
187.03868	7.4
189.05502	24.1
197.06001	4.3
199.03908	2.0
199.07704	1.7
200.04613	2.2
201.05525	3.3
213.14893	5.9
215.07022	1.7
225.05605	2.4
227.03653	1.4
241.05009	4.0
243.06573	3.6
245.04529	8.9
259.06107	6.5
269.04550	21.0
270.27286	1.5
287.05600	100.0
287.22403	8.0
288.05963	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	287.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74763	0.5
55.86611	0.4
57.03051	1.0
57.03322	14.5
63.02275	2.4
65.00188	6.0
66.55241	0.4
67.01769	0.5
81.03331	2.6
83.01253	8.7
93.03339	1.4
93.25522	0.4
95.01266	0.9
102.87704	0.5
105.03329	2.3
107.01266	3.8
109.02843	1.7
111.00774	0.7
111.85306	0.4
117.03308	0.5
121.02819	0.7
122.01683	0.5
123.00733	0.5
123.04399	1.2
124.01542	1.7
125.02332	100.0
126.02682	3.2
130.04176	0.8
131.04913	1.7
133.02806	2.3
134.03642	0.5
135.04362	1.3
145.02826	0.6
145.06470	0.8
149.02330	1.1
149.05981	0.6
150.99020	0.6
151.00259	8.3
151.03928	0.6
152.01060	6.5
153.01817	1.6
156.05692	0.9
157.06499	1.4
158.03645	0.9
159.04396	1.3
161.02344	15.6
162.02802	0.6
165.01804	0.6
171.04373	0.8
172.05260	0.7
173.06059	3.8
175.03893	1.0
177.05492	10.6
178.05722	0.6
178.99776	4.7
183.04323	0.7
192.01292	0.4
197.05948	0.5
198.36819	0.5
199.03984	0.7
199.07608	1.5
200.04703	0.6
201.05470	6.9
203.03415	1.8
206.18428	0.5
211.63878	0.4
213.05460	1.0
214.34477	0.5
215.07141	3.1
219.06544	1.5
224.04953	0.5
225.05507	1.1
229.01390	0.8
241.05016	2.3
243.06593	10.1
244.06900	0.9
256.25024	0.5
259.06082	47.3
260.06409	3.6
265.70453	0.5
269.04507	5.6
287.01996	2.8
287.05569	34.8
288.02881	0.8
288.05823	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
55.67401	0.5
65.01434	0.4
70.02851	0.7
74.05981	1.9
88.75728	0.5
109.99978	1.2
111.00301	0.7
118.04982	0.8
125.02271	1.0
151.66724	0.5
155.93613	0.6
165.98956	0.6
201.56401	0.5
240.23167	2.8
242.21309	1.5
258.08493	1.2
268.22809	0.6
271.05710	2.7
286.07999	5.0
286.23868	100.0
287.01837	0.5
287.08447	0.7
287.21902	0.5
287.24313	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07772	0.3
63.02257	1.0
65.00188	1.7
71.48999	0.5
82.60490	0.2
83.01250	0.4
89.03839	0.5
95.01262	0.4
96.27456	0.3
103.05466	0.3
105.03348	0.3
107.01257	1.4
115.05399	1.8
117.03354	1.5
119.04884	0.7
123.00706	0.4
125.02333	2.8
127.05454	0.3
130.04134	0.4
131.04900	2.4
133.02837	0.9
133.06462	0.3
135.00772	0.7
135.04376	0.4
137.02327	0.4
141.03316	0.4
143.04936	4.2
145.02858	2.7
147.00792	0.3
147.04431	1.5
149.02328	1.3
151.00276	2.9
152.00978	0.5
155.04883	0.4
157.02844	0.7
158.03624	0.4
159.04427	6.9
161.02377	2.6
161.05981	0.5
162.02652	0.3
163.00287	0.4
163.03888	1.0
169.02878	1.0
171.04433	3.4
173.02350	2.2
174.03120	0.5
175.03935	3.3
176.01135	0.3
177.01846	0.8
178.99854	0.4
185.02367	1.3
186.03075	0.6
187.03914	9.4
188.01042	0.6
188.04358	0.4
189.01808	3.5
190.99811	0.4
191.03394	0.7
193.01321	0.7
197.02361	1.4
198.02858	0.3
199.03944	1.7
200.01166	0.4
201.01886	1.1
202.02626	0.5
203.03430	11.8
204.03781	0.9
213.01842	3.2
214.02542	0.8
215.03430	12.0
216.00600	0.6
216.03882	0.7
217.01376	8.9
218.01866	0.5
219.02888	0.5
225.01901	0.5
229.01453	0.5
230.02124	1.1
231.02943	7.6
232.03409	0.4
241.01411	2.9
242.02191	1.5
243.02928	6.3
244.03285	0.4
245.00923	0.7
258.01639	1.1
259.02454	15.6
260.02759	1.0
269.00919	1.8
271.02478	1.3
286.01068	0.6
287.01962	100.0
288.02365	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	285.1497
Annotation	2-Hydroxyestrone
Peak:m/z	Relative Intensity
53.11964	0.2
61.21205	0.2
62.31405	0.2
68.52123	0.2
69.39893	1.7
82.59960	0.2
93.03333	0.3
123.59870	0.2
129.07033	1.0
135.04396	0.6
141.07002	0.2
143.08560	0.4
148.01596	0.7
157.06517	1.6
161.02376	0.5
162.03099	0.6
165.01830	0.4
170.07260	0.4
171.08069	12.0
172.05186	0.3
172.08377	0.8
173.05945	0.8
174.06776	3.4
175.03914	2.3
175.07451	0.3
185.02257	0.2
185.06041	2.7
186.03125	0.3
187.07620	1.0
188.08347	1.9
189.08987	0.3
197.05850	0.2
199.03960	0.3
200.04666	0.6
201.05528	2.3
202.06230	1.1
203.07018	0.5
213.05516	1.6
215.07089	16.8
216.07831	7.0
217.08345	0.3
238.49104	0.2
243.17709	0.2
257.15448	10.0
258.15765	0.7
270.05313	0.3
284.26727	0.2
285.14948	100.0
286.15292	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03308	0.6
59.01231	1.7
61.66316	0.6
65.00171	1.4
71.38540	0.6
75.84825	0.5
78.95784	0.6
88.95406	0.5
93.51094	0.4
97.02849	0.8
102.26252	0.5
109.99969	0.7
110.80249	0.4
123.04388	1.1
124.01553	1.0
135.04475	0.6
138.03099	1.4
139.03891	2.0
153.01784	0.8
153.05511	1.2
153.70561	0.5
165.01851	2.4
165.99063	0.9
166.02634	5.4
178.12642	0.4
179.03548	0.7
192.33905	0.5
199.39157	0.6
215.07182	0.7
221.19020	0.7
223.20625	54.1
224.20953	4.1
241.21712	0.9
257.08188	0.8
267.06433	0.5
267.19644	32.5
268.20050	2.0
270.05292	1.5
270.08881	1.2
285.04016	3.6
285.07666	6.1
285.11185	9.9
285.20706	100.0
285.27017	4.0
286.08041	0.5
286.21011	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	285.1131
Annotation	4'-Hydroxy-2',6'-dimethoxydihydrochalcone
Peak:m/z	Relative Intensity
55.01755	1.5
57.03310	0.7
60.64951	0.3
61.58312	0.3
71.06641	0.8
79.01759	5.4
83.41390	0.3
85.06461	5.9
91.05398	1.8
97.02834	2.0
107.04881	0.7
109.06476	6.0
111.04394	9.8
113.62273	0.3
121.06476	0.3
122.03611	0.5
123.04366	0.4
131.04898	1.0
135.04407	6.5
137.05962	0.7
142.26317	0.4
145.06432	0.4
147.04422	0.3
147.08057	0.6
148.05211	3.8
149.06007	1.5
151.03934	1.7
153.05481	27.1
154.05832	1.1
156.05669	1.2
165.05533	0.5
170.07222	0.6
173.06012	2.5
176.04669	2.5
179.03426	4.8
180.04002	0.7
183.08029	0.7
185.09659	2.5
187.20892	0.3
193.05003	1.7
194.05812	2.0
199.11266	2.1
211.07544	0.4
223.11256	2.3
224.08310	1.1
226.10075	0.4
239.10716	6.6
241.12314	11.0
242.12711	1.1
267.10260	9.1
268.10593	0.9
283.09711	0.8
285.11313	100.0
286.11642	9.1
286.47995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.7
59.01249	3.6
71.04869	0.3
78.95786	0.4
79.01772	0.5
83.04957	0.4
85.02848	0.4
87.00751	1.1
89.00259	0.4
95.04884	0.5
97.02882	0.7
109.02830	22.9
109.06441	0.7
109.99993	1.7
110.03645	0.9
115.84480	0.3
123.04359	0.6
124.23423	0.4
125.02330	1.6
137.02332	18.1
138.03120	76.2
139.03392	2.7
142.02612	6.0
145.06494	0.7
151.03888	2.5
153.01823	0.6
153.05475	8.0
154.05800	0.5
165.01842	1.7
166.02614	65.9
167.02971	2.4
170.02106	0.5
171.04430	0.7
179.03406	3.6
179.07057	1.2
181.04970	100.0
182.05328	4.9
194.05780	0.9
208.31815	0.4
213.09242	0.5
213.12735	0.9
215.07077	1.0
215.10690	1.4
225.09244	1.9
229.08936	0.4
241.08728	0.4
241.12308	0.5
242.09406	3.5
243.09689	0.5
252.07976	0.4
253.08656	11.4
254.08858	1.0
255.06656	0.4
257.08109	1.5
257.11826	0.4
267.10248	1.4
270.05310	2.1
270.08530	2.2
285.03992	1.6
285.07678	5.6
285.11270	18.9
285.20639	1.2
285.27115	1.0
286.07925	0.7
286.11591	1.1
299.38861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1128
Annotation	Diphenolic acid
Peak:m/z	Relative Intensity
54.03520	0.8
55.01750	2.0
57.55517	0.7
59.01244	1.3
59.89941	0.7
63.18524	0.7
69.86525	3.3
79.01759	5.4
85.06469	5.0
91.05408	1.9
93.03329	1.0
96.89491	0.7
97.02815	2.9
107.04894	1.2
109.06441	3.9
109.99960	0.9
111.04390	8.1
114.46697	0.8
123.04356	1.4
135.04402	5.0
137.05963	0.9
138.03133	0.9
148.05209	2.6
151.00310	0.8
151.03906	2.1
153.05464	24.6
154.05779	0.9
159.88647	0.8
161.37675	0.8
165.98816	0.8
173.05951	1.7
176.04665	2.7
179.03429	4.7
185.09639	2.4
194.05786	1.8
199.11203	0.8
215.07259	0.9
223.11215	1.5
224.08337	1.8
239.10721	5.8
240.11159	1.1
241.12271	4.5
267.10281	7.8
270.05334	1.3
284.26700	1.3
285.04111	6.8
285.07843	4.6
285.11292	100.0
285.27066	4.5
286.11661	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	285.0769
Annotation	Brazilin
Peak:m/z	Relative Intensity
57.03320	1.2
59.01234	2.2
65.00184	1.4
68.99670	2.2
71.04899	2.0
77.46626	1.0
79.01772	3.0
79.27732	1.0
81.03312	2.4
85.02831	1.3
95.01263	1.0
97.02802	2.6
109.02837	7.6
109.99977	4.0
111.00749	3.9
113.02334	3.1
119.04896	2.3
122.03632	1.5
123.04462	1.0
124.01531	2.1
124.98713	1.6
125.02331	7.5
127.05408	2.2
131.04988	1.2
135.00816	1.4
137.02309	3.2
137.99471	2.0
138.03154	6.0
139.03885	7.6
143.04855	1.3
143.69218	1.2
145.02748	1.2
145.06448	5.3
147.04404	1.9
151.00272	2.5
153.01817	2.8
154.02515	1.1
155.08617	1.1
156.05676	1.2
156.80417	1.2
157.06488	2.9
165.01840	4.7
165.98981	3.3
166.02585	6.4
167.08598	1.6
169.06479	1.4
170.02138	2.9
171.04405	5.1
171.08096	2.7
173.05995	21.1
174.06322	1.8
179.03429	5.3
179.06985	1.8
184.05109	1.3
184.83458	1.0
185.06012	1.7
193.06596	1.5
195.08060	3.5
199.07613	2.6
201.05444	1.3
213.09143	8.9
215.07063	2.0
223.07628	3.1
228.03772	1.3
229.04994	3.2
231.40276	1.0
236.23386	1.0
239.07092	8.5
241.08702	7.2
242.09154	1.1
243.06578	19.6
256.03259	3.0
257.08176	14.4
258.08594	1.4
267.06616	14.9
270.05270	4.7
284.26700	6.2
285.04105	4.5
285.07660	100.0
285.20688	2.0
285.27130	2.7
286.07928	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	285.0769
Annotation	3,5,7-Trihydroxy-6-methylflavanone
Peak:m/z	Relative Intensity
55.01759	0.6
65.00195	3.6
70.87381	0.4
70.87708	0.7
77.03835	11.1
79.01762	30.3
80.02151	0.4
81.03352	0.3
83.01263	0.6
88.32558	0.4
93.03336	13.3
95.04930	0.6
97.02821	8.6
97.03410	0.6
101.29573	0.3
107.04891	0.5
109.02856	0.7
117.03303	0.6
119.04914	83.5
120.05240	3.1
121.02841	31.4
122.03121	0.5
137.02344	2.6
139.03896	1.0
143.04926	0.7
145.02859	2.3
147.04474	0.7
150.03128	0.4
151.03915	1.2
161.05951	0.9
165.01843	66.1
166.02171	2.6
171.08119	0.4
179.03400	5.6
183.02875	3.2
187.03920	1.0
191.03438	8.5
199.07692	0.7
211.13356	2.9
215.07162	0.5
217.88568	0.4
228.83147	0.4
241.08769	0.8
242.56714	0.4
243.06689	0.9
267.06720	0.5
284.26849	0.6
285.07672	100.0
285.20572	2.4
286.08023	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	285.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85062	0.4
63.02255	0.7
65.00187	17.3
68.99682	1.7
69.96613	2.3
78.50334	0.4
78.95768	11.2
80.02489	0.4
83.01253	0.5
89.00191	3.2
91.01759	2.8
93.03331	1.1
94.00490	1.0
97.02821	10.3
97.03412	0.7
107.01266	1.6
108.02039	0.6
108.97836	0.4
109.99976	1.8
117.03360	0.6
118.33935	0.4
119.04903	100.0
120.05261	3.8
121.02818	5.2
121.99887	0.5
123.00764	0.7
124.01552	0.9
133.05476	0.4
139.03922	3.4
145.02844	3.2
149.99484	4.8
151.00272	3.3
164.00998	2.8
165.01831	42.6
166.02199	1.8
167.06999	0.5
171.04411	0.7
174.11250	0.5
177.01859	2.8
179.03409	2.7
183.02908	4.4
183.04388	0.7
196.00061	3.4
200.04735	0.8
229.08656	0.5
235.95915	0.5
238.51643	0.6
241.05061	2.5
242.05852	4.0
242.08144	0.7
243.06592	2.4
267.19656	1.2
269.04572	6.2
270.05280	5.9
284.26758	1.6
285.07660	69.0
285.20676	10.3
285.27094	0.5
286.08005	5.5
286.21024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.1
65.00191	2.7
68.99701	0.8
70.22456	1.9
77.03839	7.1
78.95779	1.5
79.01764	27.6
80.02106	1.0
82.41727	0.4
83.01244	0.9
93.03338	8.8
95.04917	0.8
97.02837	6.7
97.23576	0.4
107.04921	0.6
109.02818	0.9
117.03342	0.7
119.04916	70.4
120.05253	2.5
121.02843	30.8
122.03121	0.8
125.31324	0.4
137.02356	1.9
139.03925	1.3
142.67563	0.4
143.04926	1.1
144.36382	0.4
145.02838	2.5
147.04381	0.6
151.03940	0.7
161.05975	1.4
165.01843	70.2
166.02132	2.3
179.03433	5.3
183.02934	2.0
185.05991	0.9
187.03928	3.5
191.03410	6.1
198.06752	0.6
199.07587	2.1
217.09100	0.4
240.18263	0.4
241.08646	2.0
243.06638	0.7
267.06653	0.5
284.26837	0.7
285.07672	100.0
285.20569	1.0
286.08002	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	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10615	0.3
55.01758	0.6
65.00191	4.6
71.04890	14.0
79.01759	0.6
83.01237	1.7
85.13679	0.3
89.00207	1.2
91.01768	0.9
94.90264	0.3
95.04920	1.4
97.02829	9.2
101.03853	0.7
103.10513	0.3
109.99960	0.4
119.04953	0.5
121.02834	1.5
123.92281	0.3
124.01582	0.5
129.23708	0.3
130.44348	0.3
135.04375	0.6
139.03906	100.0
140.04234	3.4
145.02852	20.0
145.94498	0.3
145.95665	0.3
146.03177	0.9
149.99506	1.2
163.03908	1.1
165.01848	12.0
166.02216	0.4
183.02956	1.0
285.07675	5.6
285.10843	0.5
285.20609	0.5
286.08072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0766
Annotation	Linderone
Peak:m/z	Relative Intensity
53.59554	0.9
60.47855	0.8
65.00177	5.3
67.57410	1.0
72.99170	1.3
79.01756	2.1
82.00468	1.6
83.84615	0.9
95.01269	1.1
96.99199	1.3
100.86737	1.0
103.97063	0.9
105.52294	0.9
109.99974	66.2
111.00270	1.3
123.00792	2.5
125.02326	2.8
136.98717	1.3
137.02327	1.8
137.99486	18.9
138.03119	8.6
141.98940	2.8
151.00287	3.0
153.01822	3.6
165.98990	33.4
166.02589	7.3
166.99290	1.2
169.06468	1.3
170.02113	3.5
178.99782	5.2
199.07594	1.8
213.05524	3.1
214.06148	1.2
229.08688	1.2
239.07112	2.3
242.05925	2.5
246.05286	2.5
253.04950	1.2
257.08215	12.7
267.06561	4.1
270.05313	79.6
271.05640	7.4
285.07660	100.0
286.08029	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	285.0616
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
51.21071	0.7
53.73512	0.7
69.54165	1.5
69.54576	3.6
71.01235	0.7
74.61449	0.7
78.95789	0.7
81.03345	1.2
90.40310	0.7
108.02052	100.0
109.02886	16.8
110.98417	1.5
116.04935	1.3
117.26118	0.6
119.01697	0.7
133.02815	1.0
142.06502	2.7
142.99763	0.9
151.03905	2.3
152.01057	76.7
153.01845	36.8
154.02180	1.4
163.03874	2.0
165.01898	1.3
203.41943	0.7
263.83911	0.7
284.26767	2.8
285.06171	65.1
286.06543	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	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
69.37199	4.6
69.37617	1.7
69.69067	0.7
74.11404	0.8
81.03320	1.1
98.19865	1.6
108.02047	75.3
109.02885	9.6
111.71972	0.7
123.04379	1.4
148.57503	0.7
151.03873	2.5
152.01050	62.5
153.01845	39.8
154.02202	1.6
163.03911	1.6
165.01860	1.1
284.26666	3.6
285.06149	100.0
285.26968	2.1
286.06497	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	283.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77240	0.8
68.08952	0.7
69.81306	0.8
69.81951	2.7
79.01771	2.7
95.01255	1.3
105.03342	1.1
107.01275	3.7
108.02049	2.7
111.04386	1.2
112.14510	0.7
123.00770	1.1
130.72070	0.7
134.13504	0.8
135.00771	5.6
135.04419	2.5
136.01558	25.0
153.05469	2.7
163.00255	2.1
163.03954	1.4
164.01062	21.4
179.03406	4.0
179.80862	0.8
191.03377	1.5
197.84648	0.8
198.06654	1.0
239.06895	1.1
240.07825	2.9
241.08632	1.6
267.06674	1.8
268.07376	8.1
269.07883	0.7
283.09747	100.0
284.10092	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	284.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97064	1.3
66.52912	1.3
69.33317	3.8
69.33741	6.1
72.99173	19.9
75.00745	1.7
79.95608	20.9
80.96402	1.7
96.95881	5.9
116.04948	32.3
117.05273	2.2
128.04944	13.9
130.06526	17.3
132.04448	2.9
142.06523	84.1
143.06877	3.3
144.04480	3.0
150.76210	1.3
158.06018	72.8
159.06352	3.5
172.03935	1.4
175.24278	1.2
186.05537	28.5
187.05945	3.0
193.57544	1.2
196.00636	2.3
204.06595	100.0
205.06943	4.5
210.02232	12.2
222.02251	17.7
223.10710	1.2
224.52237	1.6
238.01732	2.2
283.26172	1.6
284.02335	38.4
285.02515	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	284.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89263	0.5
55.83327	0.5
69.27825	2.5
69.28257	2.5
72.99174	7.1
75.00726	0.9
79.95600	7.3
80.96407	1.1
96.95888	4.7
104.51682	0.6
111.32726	0.5
116.04944	13.1
126.56081	0.5
128.04948	4.4
130.06534	5.1
132.04446	0.8
142.06522	43.1
143.06859	1.8
144.04472	1.2
146.06010	0.6
158.06020	33.8
159.06384	1.0
172.03958	1.6
186.05522	13.8
204.06593	85.3
205.06943	4.9
210.02238	14.6
211.02484	0.6
211.52275	0.6
216.18788	0.6
217.64362	0.6
222.02255	19.9
223.02621	1.1
238.01759	2.2
283.26428	21.6
284.02332	100.0
284.26758	7.8
285.02533	5.1
290.76163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
57.03309	0.4
59.01263	0.2
68.99666	0.3
72.32297	0.2
74.90712	0.2
77.57414	0.2
79.01762	9.9
80.05566	0.2
89.89218	0.2
91.05405	2.9
91.76099	0.2
97.02798	0.3
102.47875	0.2
104.22672	0.2
105.96418	0.2
107.04945	0.9
108.02084	0.2
111.04396	6.2
111.35867	0.2
119.04961	0.3
122.03684	0.3
123.04398	2.6
130.04129	0.2
133.04997	0.2
135.04416	8.7
135.05461	0.4
136.05215	0.9
145.06458	1.6
147.04456	0.3
148.05269	0.4
149.02330	0.7
150.03146	0.5
151.03923	3.5
153.05496	0.9
155.08562	0.3
159.08034	0.5
161.06013	0.4
163.03906	0.8
164.04698	4.3
171.04395	1.2
177.01822	0.6
179.03418	5.7
180.03743	0.3
182.07199	0.3
183.08078	2.2
184.08374	0.2
191.69279	0.2
192.04187	2.8
196.03717	0.3
197.04405	0.2
197.09625	1.5
198.06732	0.2
205.04968	1.0
211.11125	0.3
211.67764	0.2
213.09126	3.9
214.09673	0.2
215.10814	0.2
216.68277	0.2
223.07494	0.2
224.03157	1.2
227.10837	0.2
237.09183	1.0
239.10690	1.9
241.08669	7.6
242.09012	0.5
255.10243	5.4
256.10663	0.5
265.08713	0.4
281.08197	0.3
283.09741	100.0
283.26355	2.2
284.10083	9.3
284.13379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.8
59.73484	0.5
67.57476	0.4
70.43810	0.5
72.00776	8.8
74.02340	12.9
77.98801	0.5
79.95604	47.7
80.96392	1.6
116.04942	37.2
117.05287	1.3
128.04987	0.5
130.06523	1.7
142.06520	100.0
143.06886	4.7
157.07607	0.7
158.06006	2.8
159.09187	7.3
160.34076	0.5
161.04582	0.7
186.05516	2.6
196.00769	0.8
203.08191	34.6
204.08545	2.2
210.02235	1.9
222.02240	32.0
223.02551	1.6
238.01706	2.7
241.00430	3.3
283.03909	48.0
283.26410	19.7
283.29590	0.9
284.04291	3.0
299.83951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03321	0.5
59.01231	0.9
60.22757	0.4
65.00190	6.3
67.42426	0.3
68.99664	1.1
70.13907	1.5
73.80706	0.3
79.01757	3.7
86.50433	0.4
87.04379	1.2
91.05403	1.3
101.03835	0.4
107.01278	0.3
107.04925	0.8
109.02827	2.0
111.04399	3.1
115.69704	0.3
123.04397	1.1
127.05425	0.4
135.04411	15.4
136.01535	0.9
136.04776	0.8
141.07001	0.5
142.82901	0.4
145.06488	2.8
147.04391	0.9
148.05223	0.5
149.02377	0.4
151.03894	1.4
153.05452	0.9
164.01094	0.6
164.04750	1.9
169.06500	1.1
171.04428	7.6
172.05086	1.2
172.81444	0.4
173.09618	2.2
179.03424	13.4
180.03755	0.5
183.08072	1.0
192.04176	0.9
197.09631	1.0
200.08345	0.7
213.09100	1.3
215.10742	2.5
224.03189	0.4
224.08289	0.4
230.98367	0.4
239.10722	8.4
240.11069	0.4
241.05019	0.8
241.08653	3.1
255.10225	2.0
256.78571	0.4
269.04446	0.6
283.09744	100.0
283.26410	17.2
284.07199	0.4
284.10068	8.8
284.26785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00398	0.5
55.01750	2.4
57.03319	1.0
71.28336	0.5
71.28681	0.7
74.26978	0.4
79.01759	16.8
85.92110	0.4
91.05399	4.2
101.05453	0.4
107.04920	1.0
110.57912	0.4
111.04407	7.9
122.03625	0.6
123.04406	4.9
127.19401	0.4
130.04135	0.5
135.04407	13.7
136.05130	1.5
141.06937	0.5
145.06465	1.8
149.02351	1.3
151.03893	3.4
153.05466	0.9
155.08636	0.6
159.08072	0.7
160.40198	0.5
163.03915	1.1
164.04678	5.4
171.04465	2.5
177.01826	0.9
179.03407	9.0
183.07962	2.4
192.04251	2.8
196.03586	0.5
197.09642	1.8
205.04967	0.7
213.09116	2.3
215.10547	0.5
224.03159	1.0
237.09088	0.9
239.10783	3.3
241.08681	4.1
255.10229	4.6
283.09732	100.0
284.10095	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	281.1394
Annotation	Merrillianone
Peak:m/z	Relative Intensity
57.03316	5.2
59.01252	35.2
59.61428	1.5
61.98698	3.1
62.21868	1.6
65.00192	1.4
67.15298	1.6
69.69613	1.7
71.01258	7.1
71.49137	1.5
73.02818	100.0
81.03331	3.7
83.01224	1.8
83.04871	2.2
84.19920	1.5
85.02832	3.7
87.00758	3.0
89.02327	2.9
91.39859	1.4
91.73270	1.4
93.03351	3.9
95.04890	2.4
96.95901	4.5
99.00776	2.0
101.02328	5.4
113.02341	3.3
123.04520	1.6
125.05972	2.9
137.02409	2.0
149.02405	1.6
161.04503	4.6
161.09679	3.4
163.11221	4.0
187.11224	7.4
205.12331	2.9
207.10216	18.2
208.10777	1.6
219.13786	2.2
260.67804	1.5
281.10840	3.7
281.14001	73.1
281.17276	3.7
281.24829	10.7
282.14297	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	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.5
59.01249	100.0
61.98714	1.5
67.17335	1.3
71.01254	3.9
71.04896	5.2
71.49064	1.6
73.02818	4.6
73.48642	1.1
85.02805	2.3
87.00749	20.0
93.03305	1.6
95.04910	3.7
96.95923	1.2
101.02357	3.1
106.04060	1.7
107.04900	3.6
113.02352	2.0
113.05994	1.4
119.03356	1.4
120.05680	1.6
121.06512	1.7
123.08026	1.9
137.02281	1.2
146.07269	3.6
147.08076	2.0
152.04683	2.2
159.11726	2.0
161.04475	2.9
161.09616	31.7
161.13269	6.0
162.10052	1.9
165.09177	1.7
185.09581	2.2
187.11212	66.3
188.11559	4.8
189.09102	8.5
205.12268	6.3
219.13855	18.6
221.06696	1.5
221.11816	2.7
267.12485	2.8
281.08218	2.5
281.14288	3.3
281.17337	1.8
281.24869	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	283.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00991	0.3
59.01245	1.6
60.38004	0.3
60.54330	0.3
69.61884	1.6
71.01252	0.7
72.00772	6.4
74.02338	7.5
74.02750	0.4
79.95601	29.7
80.96408	0.8
89.02325	0.9
89.66474	0.3
95.97440	0.4
96.95910	0.6
101.02328	0.8
116.04942	23.6
117.05328	0.6
119.03415	0.3
130.06509	0.9
142.06517	69.1
143.06873	3.5
157.07608	0.6
158.05983	2.3
159.09174	5.5
159.25630	0.3
161.04764	0.3
186.05490	2.2
196.00647	0.6
203.08182	31.2
204.08498	1.4
209.01451	1.4
210.02231	1.5
222.02238	36.7
223.02602	1.9
238.01750	3.8
239.04956	0.9
241.00436	3.4
266.01263	1.0
283.03912	100.0
283.26395	13.3
284.04211	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	281.1392
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01743	2.4
57.03313	12.4
59.01248	23.1
65.03806	2.4
65.87180	2.3
69.20535	15.5
69.20960	8.4
71.01232	3.0
83.04877	13.2
85.02814	5.7
87.00739	17.0
89.02309	2.9
95.04908	4.9
96.95889	9.4
98.20560	6.0
101.02321	3.1
104.41673	2.5
106.61052	2.6
111.04385	3.4
111.07980	5.1
116.10295	2.4
117.19521	2.3
119.08531	4.7
121.06450	12.9
123.08037	39.4
137.09602	7.5
139.07553	5.0
145.10161	3.7
149.20042	2.1
151.07564	6.0
153.09070	6.6
161.04417	4.1
169.10149	6.2
171.11678	32.6
172.11975	3.6
189.12782	10.4
190.40536	2.6
201.12801	16.1
207.13847	7.7
219.13805	7.6
231.25317	2.6
237.14870	64.0
238.15210	5.6
272.72357	2.2
281.07300	4.1
281.13943	100.0
281.24893	8.9
282.14355	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	281.082
Annotation	5,6-Dimethoxyflavone
Peak:m/z	Relative Intensity
55.01770	0.7
59.01246	2.5
59.59410	0.3
71.01278	0.4
71.20306	0.5
76.07178	0.3
78.91360	0.3
79.01764	2.7
91.05405	1.7
107.04906	0.6
110.11906	0.3
110.69655	0.3
111.04407	0.5
119.04918	3.7
121.02818	1.3
135.04428	4.2
143.04900	0.5
145.02837	2.5
149.02341	0.5
157.06485	0.8
161.02429	0.3
170.80118	0.3
176.04628	0.4
177.01895	0.5
179.03398	1.0
181.06483	1.2
195.08017	0.4
207.08115	0.5
209.09689	0.8
222.06863	0.5
235.07623	0.7
236.08220	0.3
237.09167	2.1
238.06212	0.5
239.06981	0.3
245.16650	0.3
253.08771	0.6
266.05826	0.6
279.06815	0.4
281.08194	100.0
281.24841	0.8
282.08533	8.6
285.35287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.83135	0.2
58.46508	0.2
59.01251	3.2
59.98388	0.2
62.76485	0.2
63.30631	0.2
70.01694	0.9
71.01260	0.5
83.04877	0.3
102.08047	0.2
119.04869	0.3
127.07520	0.3
163.03957	0.3
205.15800	0.5
233.19112	0.2
233.22679	0.7
259.20660	0.6
275.19998	0.4
277.21704	100.0
278.18820	0.3
278.22037	9.0
296.48682	0.2
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	Nigellic acid
Peak:m/z	Relative Intensity
50.55006	1.4
56.17968	1.2
57.03324	14.9
59.01252	4.8
64.93847	1.2
69.03353	1.5
70.35986	4.5
71.01239	3.0
81.03321	2.6
83.04893	3.5
85.02829	2.2
93.03310	2.4
93.06982	1.8
95.04939	3.4
96.95882	3.2
97.02814	6.9
97.06460	2.1
107.04903	1.6
109.02842	8.7
109.06476	8.5
111.04404	5.7
111.08048	1.3
119.08555	3.5
121.06488	6.3
122.03627	17.0
123.04419	4.8
124.05190	22.0
125.05992	7.6
135.04453	2.2
137.05966	16.1
139.07544	100.0
140.07867	4.2
144.32968	1.3
147.08037	4.8
148.05121	1.5
149.05939	1.7
157.06499	1.5
163.07497	2.3
163.11171	2.0
168.07832	25.4
169.08569	2.3
171.08017	3.2
175.11205	1.6
177.12764	2.9
187.11209	26.0
190.09883	4.9
205.12274	42.9
206.12653	2.4
217.12263	3.7
235.13400	5.5
249.11218	3.1
279.09344	2.0
279.12405	8.2
279.23291	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	273.1497
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
55.01762	2.0
63.72290	0.3
65.03832	0.7
67.01758	0.9
68.99689	0.9
70.25465	1.5
77.28107	0.3
81.03327	8.2
82.03676	0.4
83.01268	0.7
93.03345	4.3
95.01263	2.5
108.02055	13.4
109.02837	100.0
110.03159	2.8
117.06996	1.0
121.02840	3.8
122.03635	4.3
123.00761	0.8
123.04423	0.9
125.02325	1.2
134.03654	1.3
136.01561	49.0
137.02066	1.4
137.02223	1.3
145.06503	1.6
147.08083	0.8
149.02351	2.5
150.03113	2.9
151.03897	0.7
157.06479	0.7
159.04460	0.5
161.05991	4.4
162.03157	2.1
162.06720	0.4
163.11264	0.6
168.00542	0.4
173.06006	0.8
175.07552	9.9
175.66400	0.4
176.08357	6.1
177.08707	0.4
187.07504	0.5
189.05518	7.4
190.06026	0.6
203.07097	3.9
203.14400	0.5
204.07848	16.7
205.08205	1.0
205.12294	0.6
208.07289	0.8
229.15947	3.2
230.16260	0.4
244.14638	1.9
245.15454	8.3
246.15686	0.4
255.13908	1.0
273.14948	65.4
274.15323	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	277.1659
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
54.71011	0.8
59.01253	8.2
59.76503	0.8
71.01225	1.4
71.49559	1.3
85.02819	1.0
92.96954	0.8
100.40385	0.8
106.20537	0.9
115.03938	0.8
119.04874	1.8
121.03088	4.2
145.02847	1.5
146.99187	0.9
147.08401	4.7
149.00847	0.9
157.01768	1.0
163.03857	2.0
165.00352	13.8
189.03925	1.2
191.05586	13.1
192.05510	1.1
205.07108	1.1
205.15785	1.8
206.19594	0.8
207.04962	1.0
231.08656	2.0
233.10300	100.0
234.10460	8.7
277.16479	84.7
277.21259	24.7
278.16602	8.7
278.21704	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.77118	0.5
59.01239	1.5
62.65664	0.5
70.35925	0.6
70.88583	0.6
70.97617	1.6
86.06551	0.6
89.47157	0.6
122.62089	0.6
206.96158	0.6
277.21719	100.0
278.22095	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	273.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03038	1.4
66.03360	16.2
66.11227	0.7
66.39706	0.7
67.02877	1.1
68.04923	9.1
69.28867	1.3
69.29272	6.0
71.01247	14.4
72.00774	6.8
73.10677	0.7
74.02346	13.9
80.04915	0.9
82.02867	4.2
82.06494	12.1
84.04418	6.0
84.08060	3.3
86.02354	3.3
87.00795	0.9
94.02863	1.0
96.00774	1.1
110.09652	1.4
111.39555	0.7
112.03928	63.0
113.04259	2.3
114.05472	0.9
122.02362	1.4
122.04714	1.0
123.03173	2.1
124.11176	1.0
126.05370	0.9
127.05021	5.3
128.03433	22.2
128.07063	71.0
129.07448	2.3
130.08627	26.1
134.09593	1.2
136.11238	3.6
137.08344	0.9
138.09131	1.4
141.10220	2.1
151.08661	6.2
151.12314	2.2
153.10245	6.2
154.08638	25.1
155.08986	1.0
155.11772	6.1
161.02379	0.8
162.09160	0.8
166.08696	1.0
169.13380	1.8
177.10245	1.2
179.11829	24.9
180.10220	13.0
180.11874	1.5
189.01933	0.9
195.07692	2.6
195.11368	1.7
197.12888	67.2
198.13205	3.2
217.01411	3.6
223.10826	85.7
224.11200	4.7
233.15540	0.8
241.11894	64.4
242.12163	3.0
245.00856	1.5
273.00381	3.5
273.14548	100.0
274.01093	1.3
274.14938	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	273.0404
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
58.74987	0.6
59.01243	0.8
65.00185	3.6
70.36287	2.9
71.01175	0.8
81.03308	0.7
83.01211	2.9
91.05341	0.9
95.01251	1.0
99.16154	0.7
104.71162	0.7
107.01281	1.2
110.61455	0.7
115.00155	0.9
117.03342	4.8
119.04921	1.8
121.02790	1.5
133.02780	1.0
133.06433	1.0
135.03464	0.7
135.04413	10.2
137.88956	0.7
143.04953	1.3
145.02841	6.5
147.04352	0.8
151.00168	0.9
156.05679	1.0
157.06517	5.6
158.03609	0.9
159.04420	8.4
161.02330	4.4
161.05952	1.5
163.03923	9.4
167.04900	0.9
173.05887	0.6
175.02319	1.4
177.05484	13.6
178.05870	0.7
183.04402	0.8
185.06007	11.0
186.06619	0.9
187.03918	13.5
189.01859	26.4
190.02229	1.2
190.18312	0.8
200.04691	1.7
201.05521	7.6
205.05000	33.3
206.05388	1.9
211.03937	13.2
213.07579	1.0
217.01355	1.7
229.05014	100.0
230.05409	5.5
231.02948	46.9
232.03355	3.3
245.00926	1.7
255.02975	0.9
262.92212	0.9
273.00516	2.5
273.04037	39.3
274.04294	2.7
282.89444	0.7
286.14893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.0
59.01261	1.3
65.00191	2.3
69.83311	4.1
73.43747	0.6
81.02840	1.6
81.03329	33.5
82.03674	0.9
83.01246	9.6
83.01725	0.9
93.03339	5.0
95.04886	1.2
99.04403	0.9
107.01261	2.4
119.04910	30.8
120.05287	1.7
123.04406	42.1
124.04779	1.2
125.02334	15.4
135.04391	1.4
138.64714	0.7
147.04442	1.1
148.75195	0.8
149.02299	0.8
151.00266	5.4
166.02620	1.2
167.03410	100.0
168.03743	4.2
171.04420	1.3
178.82121	0.8
179.03430	3.9
187.07591	1.4
189.05502	4.5
191.05589	2.3
193.07674	1.0
201.01866	1.1
217.69681	0.7
229.08655	2.5
233.56128	0.8
236.67857	0.8
273.07672	76.6
273.20712	3.5
274.08023	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	273.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	15.3
58.85943	0.3
64.13392	0.3
65.00191	6.2
70.51130	1.0
70.51479	0.3
79.05402	0.9
81.03327	9.5
83.01254	8.1
91.32256	0.4
93.03307	0.6
99.04381	1.0
119.04907	1.7
123.04407	13.2
124.04748	0.5
125.02331	100.0
126.02668	3.5
147.04474	0.8
163.07552	1.1
167.03360	0.6
229.08685	1.2
238.30621	0.4
273.07666	22.5
274.08081	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	271.0976
Annotation	LY364947
Peak:m/z	Relative Intensity
50.84592	0.2
59.01238	0.6
59.73650	0.3
69.73642	1.8
79.01751	0.5
85.25374	0.3
94.04845	0.2
95.01268	0.6
106.04050	0.3
107.01303	0.5
108.02064	1.2
109.02845	1.0
111.00764	1.0
111.04387	1.6
119.04971	0.5
121.02788	0.3
121.06483	0.3
124.01551	2.8
125.02355	3.2
131.04916	1.4
137.02345	4.4
139.00298	0.4
139.03903	9.6
140.04243	0.4
145.06529	0.9
151.00270	1.1
151.03938	0.6
152.01068	0.6
152.04709	1.0
156.05708	1.1
158.03564	0.3
165.01869	0.5
171.04381	0.5
172.04880	0.5
173.06012	23.7
174.06323	1.3
183.08153	0.6
184.03719	0.6
199.11186	0.6
212.03172	0.3
227.07030	1.0
228.07855	0.7
241.04999	0.3
243.03015	0.3
244.02979	0.3
256.07358	0.7
260.06885	1.0
271.09753	100.0
271.22574	1.5
272.10110	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
55.58929	0.2
59.01240	0.3
61.85266	0.2
68.08233	0.2
68.18728	0.2
71.04894	0.2
71.49400	0.3
79.34773	0.2
81.50044	0.2
92.55051	0.2
105.27337	0.1
107.01247	0.2
108.02080	0.8
109.02837	0.5
119.04921	0.5
125.02338	1.2
139.03877	0.2
145.06416	0.2
151.00323	0.4
172.69847	0.2
223.20605	0.3
225.22200	4.5
226.22520	0.3
227.20142	0.2
253.21616	1.6
269.21185	0.8
271.06113	0.8
271.09607	1.8
271.22772	100.0
272.23123	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0971
Annotation	2-O-Methylisohemigossylic acid lactone
Peak:m/z	Relative Intensity
57.03324	1.2
65.00205	0.5
67.83572	0.4
70.97111	0.8
70.97453	0.6
71.04884	4.0
77.03828	0.8
79.01752	4.5
92.36240	0.4
93.03345	1.2
95.04900	11.3
97.02827	3.1
107.04897	0.7
114.35092	0.5
121.02847	3.7
122.03612	1.3
123.04388	1.4
131.04912	1.3
133.06447	0.6
135.04372	0.9
136.05190	2.3
137.02356	0.7
139.03899	15.3
139.04967	0.9
140.04218	0.5
141.07022	0.6
143.08530	0.6
145.06474	0.5
147.07994	0.5
156.05714	2.8
157.06367	0.5
165.01845	5.1
167.08531	0.7
169.06503	1.4
170.07230	1.1
171.08054	1.2
173.06004	6.5
179.03462	0.9
180.04202	1.9
183.08131	0.9
185.09645	7.1
199.11188	0.5
209.09653	2.1
212.08403	0.9
225.09013	0.8
227.10721	25.6
228.11026	2.0
229.07663	0.5
253.08710	4.6
271.09744	100.0
272.10129	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	271.0976
Annotation	Uvangoletin
Peak:m/z	Relative Intensity
50.04919	0.3
52.74461	0.3
54.56894	0.3
59.01255	0.5
65.00196	4.0
68.99686	0.5
71.28699	0.6
89.00204	0.8
91.01789	0.8
93.03336	0.4
95.01269	0.8
96.02057	0.5
97.02834	3.2
107.27782	0.4
108.02094	1.2
109.02830	1.2
111.00805	0.5
121.02821	1.5
123.00815	2.1
124.01553	41.4
125.02380	1.2
130.22165	0.4
137.02328	1.9
139.00305	0.6
139.03918	11.2
139.48482	0.3
140.04262	0.4
143.15326	0.3
145.06508	0.8
149.99529	1.0
151.00279	0.7
152.01060	87.8
153.01361	3.1
165.01848	9.2
173.05986	0.6
184.00029	0.6
195.08058	0.5
197.81261	0.4
227.10606	0.5
239.07060	0.9
256.07379	10.1
257.07727	0.8
271.09753	100.0
271.22714	1.2
272.10107	8.7
278.93393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15457	0.3
55.94828	0.3
63.02262	10.0
65.00192	16.4
66.00519	0.4
68.99701	0.5
71.49238	0.3
79.08688	0.3
81.03340	0.6
83.01256	11.8
84.61610	0.3
93.03329	13.9
95.01254	0.3
107.01263	26.5
108.02049	1.0
108.99198	0.4
109.02821	0.6
117.03301	0.3
119.04912	73.8
120.05259	2.6
121.02843	1.1
121.06451	0.6
125.02319	2.5
136.01534	0.4
137.02365	0.4
143.04889	1.0
145.02899	1.8
151.00266	69.9
152.00587	2.5
161.06013	1.6
165.01846	6.1
165.05463	2.4
169.01324	4.5
170.01678	0.3
174.01614	0.7
177.01845	11.0
178.02113	0.5
185.05997	1.8
187.03926	3.3
199.07675	0.3
209.05946	0.4
209.88953	0.3
225.13391	0.3
227.07040	2.3
228.26413	0.3
229.04962	0.6
253.04951	0.7
271.06094	100.0
271.22549	0.7
272.06427	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	271.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05719	0.5
59.88371	0.5
64.95322	0.5
65.00163	0.7
65.93727	0.4
69.47618	3.5
72.70576	0.6
79.01783	0.5
93.03334	2.6
99.47320	0.5
108.02029	1.5
109.02818	1.4
115.77147	0.5
117.03322	1.7
119.04900	1.4
125.02363	4.2
133.02847	1.2
139.05457	0.5
141.06978	1.4
143.03836	1.0
143.04924	15.7
144.05247	0.9
145.02849	1.3
146.03485	0.5
156.05750	0.5
157.06500	2.9
159.08072	4.2
165.06923	0.5
167.04900	5.0
169.06480	1.3
173.06046	0.7
177.67934	0.5
180.05763	4.0
181.06516	5.3
182.07249	2.3
183.04475	4.1
183.08078	6.1
185.06001	21.7
186.06293	1.3
196.05106	0.6
197.05994	3.6
199.07545	0.6
208.05269	4.9
209.06000	16.7
210.06361	0.6
211.03966	5.1
212.04684	3.9
224.04744	1.3
225.05504	13.5
226.05882	1.4
227.07076	57.9
228.07393	4.0
252.04221	1.7
253.05028	100.0
254.05373	7.7
271.06100	61.4
271.09442	3.9
271.22723	2.2
272.06476	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92183	0.3
53.11214	0.3
55.03304	0.3
57.03322	8.9
57.75113	0.3
59.01246	0.6
61.98680	0.6
65.00193	1.0
71.40919	0.6
79.01740	0.5
81.03333	1.8
83.01253	11.0
83.04883	0.4
85.58884	0.4
93.03323	0.4
101.03883	0.9
107.01273	1.2
108.02046	1.3
109.02849	1.1
119.04896	1.9
121.02892	0.8
125.02334	100.0
126.02703	2.8
126.29279	0.4
145.02852	16.0
146.03160	0.6
148.07634	0.6
149.02336	1.1
150.99182	0.4
151.00233	1.9
162.05553	0.8
171.04454	1.1
173.06064	0.7
182.60811	0.4
199.03934	0.4
227.07114	0.4
243.02921	0.9
271.02469	5.2
271.06006	5.0
271.09717	3.3
271.14630	1.6
271.19272	3.4
271.22491	2.9
272.06448	0.4
272.19556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	7.5
64.02617	0.3
65.00196	22.1
66.00529	0.6
68.99677	0.8
69.19701	1.4
69.20131	1.8
78.69765	0.3
83.01257	13.5
93.03334	9.9
94.03679	0.4
98.19846	0.5
107.01270	30.7
108.01529	0.5
108.02139	0.6
108.99218	0.5
109.02848	0.6
117.03346	0.8
119.04916	76.1
120.05252	2.8
121.02840	0.7
125.02328	2.4
133.02800	0.6
137.02328	0.3
143.04916	2.8
145.02858	3.3
146.03313	0.3
151.00275	99.6
152.00610	3.4
156.05711	0.4
161.06015	3.0
165.01845	3.9
169.01323	3.1
177.01845	7.3
184.05305	0.4
185.06003	3.9
187.03932	7.3
188.04483	0.3
196.98277	0.3
199.07613	0.5
203.07104	0.3
227.07071	4.2
227.09056	0.4
229.05006	1.1
271.06113	100.0
272.06436	8.3
291.81580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.0
59.01222	0.5
63.02265	5.9
65.00199	5.6
71.49564	0.7
81.03317	0.6
83.01254	6.3
91.05396	0.5
93.03334	1.1
93.47334	0.3
95.01270	0.7
107.01259	6.6
108.02076	2.0
109.02823	2.0
115.05399	1.7
119.04929	4.9
120.10712	0.4
120.62426	0.4
121.02840	0.4
122.71380	0.4
124.01572	2.5
125.02338	12.7
131.04866	0.5
135.00713	0.5
137.02351	1.0
141.07036	0.6
147.07968	0.5
148.60101	0.4
151.00282	7.1
152.00871	0.7
153.01845	0.7
153.07033	0.7
157.06487	2.3
159.04510	0.6
161.05992	6.3
162.06326	0.5
165.01816	1.9
165.06984	0.6
169.01349	1.8
169.06541	0.6
173.05989	1.9
175.07561	0.6
177.01723	0.5
180.05772	0.6
181.06535	1.9
185.06044	2.5
187.03786	0.5
197.06017	9.6
198.06389	0.5
199.07625	1.1
203.07060	0.5
209.06027	1.3
213.05560	0.6
215.07074	2.1
225.05487	3.4
227.07080	1.0
229.04910	0.5
240.04208	0.5
241.05031	0.5
243.06502	1.0
253.05023	12.9
254.05357	0.9
256.07404	0.8
271.06113	100.0
271.09418	4.2
271.19257	2.6
271.22711	3.1
272.06433	7.6
272.09067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	Isopestacin
Peak:m/z	Relative Intensity
53.78277	1.5
57.03334	1.7
59.01228	2.1
65.00185	3.6
68.99676	2.7
79.01770	12.4
80.29098	1.4
83.01279	2.0
85.02789	1.6
86.33376	1.6
93.03371	2.5
95.01261	8.8
97.02814	2.2
98.20556	3.8
99.00744	5.6
101.03838	1.5
108.02047	6.3
109.02837	5.8
111.00768	6.0
119.04910	3.0
123.00768	4.5
124.01580	5.7
125.02332	14.7
131.04929	2.4
140.01131	1.5
141.06905	2.0
145.06490	3.5
151.00291	3.4
152.01027	2.9
155.04913	2.2
157.06476	5.8
157.78914	1.5
160.67075	1.6
165.01753	2.3
171.04399	8.0
173.06003	34.4
181.06458	3.5
182.26906	1.5
183.08104	2.6
184.05188	3.2
185.06006	4.6
199.07549	6.3
201.05498	1.9
209.06009	2.6
225.05496	6.5
225.22102	1.4
227.07086	8.5
229.05054	14.7
241.05023	2.0
243.06607	21.8
253.05051	6.1
271.06122	100.0
271.19205	6.7
271.22714	6.0
272.06421	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	269.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.4
59.01250	86.1
61.98679	1.1
68.99686	7.9
69.80489	5.2
71.01250	1.3
72.35322	0.7
76.89272	0.9
79.27258	0.9
80.59969	0.8
83.04893	1.3
84.04536	0.8
99.04379	2.9
101.03846	2.0
109.02849	1.2
115.05424	0.9
127.05423	1.2
132.39749	0.9
137.02348	1.6
145.92490	0.9
165.01787	1.0
165.11592	1.0
165.12756	6.0
171.04434	41.7
171.05925	2.0
172.04816	2.2
173.09610	1.2
189.12790	1.1
197.05963	1.7
198.06825	2.3
207.13817	16.1
208.14246	1.2
209.11769	16.4
210.12070	1.7
225.05460	3.1
225.14865	7.7
226.06201	1.3
241.08768	1.1
251.12910	5.5
254.05904	1.5
269.04727	5.7
269.08185	100.0
269.13971	59.7
269.21219	17.3
269.24756	4.2
270.08481	9.7
270.14285	3.6
270.21371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1182
Annotation	Neocryptotanshinone II
Peak:m/z	Relative Intensity
59.01232	0.4
65.00192	0.4
68.99699	0.3
71.01231	0.3
71.34327	0.3
73.02818	0.4
76.37525	0.3
79.01745	0.4
85.02800	0.3
93.03341	0.4
95.04902	0.4
97.02856	0.4
98.20603	0.6
109.02826	0.7
109.06455	2.4
117.03374	0.4
121.02853	0.4
121.06445	0.4
121.74409	0.3
122.03619	16.1
123.00653	0.3
123.04446	0.7
131.04918	1.1
135.04401	1.7
136.05180	0.6
137.02357	5.9
137.05977	21.8
138.06328	1.0
149.02328	1.4
150.03087	1.1
150.57143	0.3
154.02647	0.6
155.07080	0.4
163.03935	1.3
163.11200	0.4
165.01846	4.3
165.05527	0.7
167.08585	0.4
171.04408	1.5
178.06239	0.8
181.04909	0.4
186.95476	0.6
195.08073	0.7
198.06708	0.3
199.07498	0.3
207.13795	0.6
209.09543	0.3
211.07524	0.4
213.09082	0.7
225.09177	0.3
226.09927	1.0
227.10565	0.6
239.07104	4.1
240.07507	0.3
241.08678	0.3
241.12350	1.8
253.08693	0.4
254.09456	17.8
255.09842	1.8
269.04459	2.1
269.08337	8.0
269.11795	100.0
269.21194	6.0
269.24768	1.3
270.04822	0.3
270.08994	0.5
270.12149	8.4
294.80823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16701	0.4
55.01768	0.5
61.28228	0.3
65.00195	1.5
68.99650	0.5
70.81871	0.8
70.82197	0.4
77.03838	3.3
79.01762	9.7
95.04890	0.4
97.02826	4.3
108.29105	0.4
109.02843	1.2
121.02835	8.4
122.03587	1.1
130.04196	0.4
137.02383	2.1
139.03880	1.1
141.07004	0.5
143.04955	0.5
143.87886	0.3
145.06485	2.7
147.04413	1.0
150.03110	1.7
155.08597	1.0
159.08020	0.8
165.01846	9.2
166.02167	0.9
169.06500	1.0
171.04439	4.3
172.05215	0.6
178.02658	2.1
182.07394	0.5
183.08072	3.6
186.06804	0.5
197.09639	0.7
199.07578	2.1
201.09137	0.5
210.01611	0.5
210.06775	0.6
223.07666	0.4
225.09215	4.2
227.07097	7.1
241.08676	2.2
255.82909	0.4
269.08179	100.0
270.08508	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	269.0817
Annotation	Strobopinin
Peak:m/z	Relative Intensity
52.14081	0.4
55.01766	0.7
59.01258	0.6
59.27216	0.4
65.00188	1.5
65.03829	0.6
72.32999	0.4
77.03837	1.2
79.01754	3.8
86.27791	0.4
90.68798	0.6
97.02824	2.0
109.02854	3.5
117.03329	0.5
121.02853	4.2
121.99908	0.4
122.03619	3.2
136.01628	0.6
137.02335	100.0
138.02664	3.9
139.03941	0.7
139.82434	0.4
145.06473	0.8
149.02341	0.8
150.03130	4.8
155.08545	0.5
159.08121	0.6
165.01834	83.5
166.02187	3.1
171.04437	1.8
178.02614	1.8
181.06325	0.5
183.08052	1.0
197.09599	0.5
199.07658	0.6
207.07959	0.5
225.09251	1.2
226.06323	0.5
227.07036	2.5
235.37541	0.4
241.08647	2.6
253.04845	0.5
254.05739	0.8
269.04874	1.7
269.08163	57.4
269.21191	8.0
269.24765	1.7
270.08551	3.8
270.21567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
58.78920	0.5
59.01233	0.6
65.00185	6.1
65.03834	0.7
68.99689	4.5
81.03362	0.8
89.00230	1.3
91.01775	1.3
95.03071	0.5
97.02831	3.8
98.20561	1.6
101.03889	0.5
108.02054	0.9
109.02847	3.0
109.99974	2.5
121.02861	3.4
122.00057	0.6
122.03622	1.9
124.01553	1.4
136.01547	0.6
137.02344	79.7
138.02686	2.4
139.03909	1.5
139.15457	0.7
149.02248	0.8
149.99495	1.3
150.03148	4.2
163.00288	0.9
165.01846	72.0
166.02184	2.5
169.06483	1.3
171.04425	8.8
171.33047	0.6
177.01897	3.7
178.02586	1.1
184.05252	1.6
186.95494	0.6
197.05940	0.8
198.06804	1.2
210.06902	0.6
225.05588	3.9
225.09242	0.9
226.06293	10.8
227.06993	2.2
241.08704	1.7
251.07195	0.8
253.05037	4.6
254.05801	6.6
255.05853	0.8
266.02728	0.5
269.08188	100.0
269.21237	4.9
269.24905	1.5
270.08499	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.4
61.08887	0.3
65.00196	14.7
68.99673	1.8
71.13201	0.8
87.84637	0.4
89.00191	3.3
91.01777	2.9
94.00530	0.5
97.02829	9.8
97.03833	0.5
108.02096	0.5
109.99985	1.0
114.67648	0.4
117.03349	0.4
121.02849	4.4
121.99950	0.6
130.73625	0.4
135.00749	0.4
137.02342	1.9
139.03934	1.1
139.57726	0.4
149.02341	0.9
149.99486	9.6
151.00066	0.4
163.00221	0.7
165.01837	18.7
166.02194	0.8
169.06528	0.6
171.04424	3.7
177.01891	1.9
181.06642	0.4
183.02899	1.5
183.04335	0.5
184.03706	0.6
184.05232	9.2
185.05827	0.8
197.05952	0.9
198.06779	1.5
212.04712	2.6
213.05560	0.5
225.05568	1.7
225.09116	0.6
226.06229	3.4
227.07100	11.5
228.07332	0.9
253.05019	4.2
254.05826	11.6
255.06157	0.9
269.08182	100.0
269.21207	7.4
269.24808	1.9
270.08533	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	269.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.9
58.04764	0.5
65.00187	2.1
68.99677	0.9
77.03840	1.3
79.01761	10.4
93.03333	0.5
97.02832	3.3
98.20592	1.1
109.02850	0.8
121.02846	7.8
137.02341	0.6
139.03882	0.8
141.06989	0.6
145.06474	2.4
147.04372	1.5
150.03244	0.6
155.08566	0.8
156.40521	0.5
159.08047	0.9
165.01831	10.3
169.06535	0.8
171.04437	4.8
172.05186	0.7
178.02649	0.6
181.06548	0.5
183.08070	2.9
184.08310	0.6
197.09630	0.7
199.07460	0.5
201.09093	0.7
225.09134	6.5
226.09456	0.9
227.07106	1.5
228.07394	0.5
241.08549	0.7
261.96085	0.5
269.08163	100.0
270.08514	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	269.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	8.1
67.45010	0.4
68.99684	4.4
70.25721	0.9
70.26094	1.9
82.00481	0.6
85.39725	0.4
89.00199	1.8
91.01769	1.7
94.00462	2.3
97.02833	5.9
109.99986	3.1
121.02828	3.2
121.99992	2.2
124.01573	1.1
128.27016	0.6
136.01538	0.6
139.03914	4.5
149.02338	1.3
149.99492	1.9
154.72429	0.5
156.05699	0.7
163.00256	0.8
165.01839	10.9
166.02023	0.5
169.06458	1.5
171.04353	0.5
177.01874	6.6
183.02791	0.5
184.05263	1.6
193.06544	0.7
197.06070	0.7
198.06740	2.5
209.06033	0.8
210.06767	0.6
225.05528	6.9
226.06294	20.6
227.06929	4.4
230.05836	0.6
232.69739	0.5
233.02937	0.5
253.05035	8.7
254.05817	15.3
255.06198	1.5
266.64240	0.5
269.08170	100.0
270.08493	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	269.0819
Annotation	Flemichapparin
Peak:m/z	Relative Intensity
52.22702	0.2
53.16809	0.2
54.24921	0.2
67.62420	0.2
68.99686	7.2
71.29171	0.3
71.29503	0.4
78.00993	0.4
94.75854	0.2
96.58645	0.2
101.03847	1.9
109.02852	0.6
115.05408	0.8
117.03342	0.6
127.05434	0.8
130.04092	0.3
137.02344	0.5
139.03856	0.4
143.04901	0.6
153.07008	0.8
157.06482	0.3
171.04428	38.0
172.04752	2.2
173.09612	1.3
181.06473	0.5
197.05992	0.5
197.09642	1.4
198.06822	2.0
199.07161	0.4
210.06757	0.4
225.05562	1.4
225.09268	0.3
226.06268	2.0
241.08713	0.4
254.05824	0.9
258.05276	0.8
262.39050	0.3
269.08176	100.0
270.08493	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	269.0819
Annotation	Pinostrobin chalcone
Peak:m/z	Relative Intensity
55.01760	0.9
59.01241	0.8
62.96285	4.4
65.00201	2.8
68.99680	1.4
71.01228	0.6
71.35757	0.9
73.02815	0.6
77.03848	3.3
79.01765	18.1
80.02099	0.5
93.03325	0.8
95.04861	0.5
97.02824	6.0
101.03835	0.7
109.02840	1.9
109.99971	0.4
115.05404	0.5
117.03384	0.9
119.04881	0.6
119.28015	0.3
121.02845	13.1
122.03590	1.5
127.05376	0.4
130.04190	0.4
134.03693	0.5
137.02341	13.0
137.05936	0.4
138.02617	0.3
138.64697	0.4
139.03903	1.3
141.06982	1.3
143.04932	0.4
145.06490	4.3
147.04408	2.8
149.02353	0.6
150.03131	2.6
155.08499	1.9
156.05626	0.4
159.08073	1.5
165.01842	26.4
166.02226	1.1
169.06516	1.7
171.04428	9.5
172.05093	1.4
178.02628	2.1
179.03120	0.4
181.06519	0.7
183.08063	6.3
191.03448	0.4
197.09627	1.2
198.13710	0.4
199.07561	0.9
201.09148	1.0
207.08112	0.8
210.01602	0.6
210.06755	0.5
211.80887	0.4
223.07515	0.8
225.05780	0.4
225.09163	9.8
226.09474	0.7
227.07062	4.6
241.08702	2.5
251.07063	0.4
265.41553	0.4
269.08179	100.0
269.21204	5.3
269.24820	2.4
270.08508	9.2
270.11401	0.5
270.21576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
51.24577	0.7
51.97385	0.6
57.03320	2.6
59.01251	100.0
60.01588	1.1
60.99218	0.8
65.82114	0.8
69.30459	1.8
69.30874	4.9
71.01239	2.0
71.04904	2.5
83.04910	1.2
85.45467	0.7
87.00770	2.1
89.02326	1.0
101.02338	1.8
133.58760	0.7
161.13290	2.0
163.11229	2.3
171.00229	0.7
187.11375	1.1
205.12323	1.5
207.10271	2.2
223.13354	41.6
224.13728	3.0
267.12399	2.5
267.16068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0454
Annotation	Baicalein
Peak:m/z	Relative Intensity
51.33977	0.2
56.24197	0.2
59.01233	0.2
65.00195	3.3
66.59146	0.2
67.01750	0.4
68.99684	0.8
69.46416	1.9
71.47318	0.2
77.00197	0.2
79.01755	0.3
95.01263	1.5
97.45238	0.2
101.03846	0.5
111.00768	0.4
111.91370	0.2
117.03370	0.4
123.00767	1.3
127.05428	0.2
136.98712	4.5
137.02354	0.7
139.00270	3.0
140.00635	0.4
141.06985	1.9
143.04953	1.1
145.02853	0.6
145.06494	0.3
151.05431	0.9
153.07047	0.4
155.04922	0.4
157.06480	0.7
164.98186	0.4
165.01895	0.3
166.99730	1.4
167.04958	2.1
169.06506	4.2
171.04430	4.3
171.08040	0.3
173.05974	0.5
179.04919	0.4
181.06471	0.3
185.05963	0.8
195.04428	3.0
196.05046	0.5
197.06010	3.8
199.03903	0.4
207.04491	0.3
213.05531	2.3
214.05772	0.3
223.03951	5.2
224.04515	0.6
225.05579	1.3
225.22333	0.3
240.04176	0.4
241.05032	4.6
251.03461	3.5
252.04005	0.3
268.03763	0.5
269.04547	100.0
269.07880	4.0
269.21210	3.7
269.24823	1.1
270.04901	8.1
270.07837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58556	0.3
54.26522	0.3
55.01761	0.8
55.02829	0.3
57.03320	5.0
58.00467	0.8
59.01249	23.9
60.01590	0.5
67.01772	0.5
68.99691	0.6
69.03320	0.8
70.61260	0.9
71.01254	38.4
72.01609	0.4
72.99179	5.2
73.02811	1.6
75.00745	15.6
83.01270	1.5
84.02039	0.8
85.02822	37.3
86.03145	0.4
87.00750	15.3
89.02319	10.3
91.03877	1.5
95.01261	5.8
95.01842	0.5
99.00759	9.8
99.04441	0.6
101.02337	1.5
103.00243	2.7
106.89700	0.3
111.00787	0.7
112.01572	1.0
113.02333	47.0
114.02657	1.1
115.00226	1.8
117.01785	2.4
127.03899	0.4
129.01813	2.9
131.03419	1.2
137.76498	0.4
139.00188	0.7
142.16664	0.4
149.04454	0.7
157.01328	0.8
175.02386	2.6
178.40649	0.3
191.05515	0.6
196.78503	0.4
205.07094	0.7
207.04984	1.9
249.06125	5.0
267.07199	100.0
268.07596	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	267.1026
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
55.01757	0.6
57.03338	0.2
59.01245	0.8
60.93748	0.2
66.41383	0.2
71.01250	0.8
73.02815	0.3
74.07361	0.1
83.04899	1.7
85.02834	0.3
89.02320	0.4
101.02325	0.7
106.57068	0.2
107.01259	0.2
107.04893	0.8
108.02058	0.4
109.06496	0.8
111.21061	0.1
113.02335	0.6
115.05439	0.5
117.03339	0.4
121.02856	0.2
121.06453	0.2
122.03622	7.0
126.59850	0.2
131.04918	0.2
133.02827	0.2
135.04379	0.2
136.01575	0.7
136.05188	0.8
137.05980	30.4
138.06293	1.1
141.05600	0.2
141.05801	0.3
141.06999	3.5
143.04958	0.2
147.04420	0.9
148.01541	0.2
148.05193	1.1
154.02631	0.2
155.08556	0.3
158.24748	0.2
161.02429	0.8
161.04498	0.3
161.05981	0.4
169.06480	2.0
169.10104	0.3
171.08064	0.3
175.03902	1.3
176.04703	5.8
177.05099	0.2
179.08611	0.6
181.06531	0.3
183.08072	0.4
189.05525	0.7
193.10226	0.2
195.11693	2.1
196.08836	0.3
196.12053	0.2
197.06039	1.0
197.09619	0.5
198.06796	0.9
199.11241	0.4
200.11688	0.2
206.07338	2.3
207.07968	0.5
208.08798	0.2
211.07729	0.3
211.11221	1.5
212.11525	0.2
215.07097	0.3
221.09650	1.5
223.07591	3.6
223.11246	0.6
224.08372	8.4
225.08810	0.9
237.05673	1.1
237.09163	0.2
238.09972	0.6
239.10741	18.1
240.11095	1.4
249.09103	0.2
251.07111	2.1
252.07893	5.3
253.08150	0.4
265.08554	0.2
267.10257	100.0
268.10602	8.0
268.12891	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	265.075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.7
71.01243	0.3
71.04908	0.5
71.49309	0.4
79.95197	0.2
79.95570	1.3
96.95885	100.0
97.95814	0.3
102.00444	0.2
113.05968	0.6
123.24392	0.2
140.20015	0.2
147.04456	1.3
175.03874	0.4
185.02368	0.3
185.11768	1.8
194.88014	0.3
265.07477	30.5
266.07758	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	266.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10302	0.3
59.01247	2.2
69.33982	1.0
69.34409	1.9
71.01251	1.3
74.40699	0.4
85.02837	0.6
86.81538	0.4
89.02272	0.5
91.01767	0.9
93.03334	3.9
96.95903	0.6
98.19764	0.6
101.02350	0.9
113.02316	0.4
118.02869	10.6
119.03259	0.5
119.04874	0.4
120.04443	0.5
126.24164	0.3
129.01801	0.4
134.04584	0.5
136.03941	100.0
137.04303	3.5
146.06020	8.3
147.06345	0.5
152.57100	0.3
162.05519	2.2
190.05005	1.1
216.87576	0.3
223.13435	0.7
234.04128	1.8
243.35109	0.4
258.29523	0.4
267.06870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0661
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
51.05408	0.2
55.01764	0.2
59.01249	1.7
61.16266	0.2
65.00174	1.1
70.40170	0.5
70.40568	0.4
71.01254	1.6
73.02818	0.5
77.03838	5.6
78.04182	0.3
79.01765	4.7
81.03288	0.2
83.01257	0.4
85.02817	0.6
85.62694	0.2
89.02327	0.7
93.03355	0.3
95.01232	0.2
96.33466	0.2
97.02832	0.5
99.00763	0.4
101.02328	1.4
101.03848	0.4
103.01775	0.4
105.05447	0.3
109.02938	0.3
113.02309	0.7
119.03420	0.2
119.04903	1.7
121.02836	2.5
126.26320	0.2
134.03633	0.6
137.06012	0.6
143.04930	2.7
145.02852	3.2
149.05882	0.2
149.86317	0.2
153.06998	0.4
155.04765	0.2
157.06546	0.5
161.04434	0.6
162.03220	0.3
163.00301	0.3
165.01862	2.4
167.04979	0.2
167.08531	1.5
172.21632	0.3
179.08554	0.4
180.05684	0.6
181.06488	2.4
195.08093	1.1
199.33516	0.2
208.05103	0.4
223.07596	4.0
224.04843	0.3
224.07991	0.4
239.07195	1.4
247.21480	0.2
265.05072	0.7
267.06616	100.0
268.06955	9.9
268.10052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0719
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
54.28918	0.7
55.01744	1.3
57.03326	6.3
58.00454	1.1
59.01247	30.6
68.99689	1.0
69.03348	0.8
70.05482	2.4
70.05888	1.4
71.01252	43.9
72.34801	0.7
72.99173	6.6
73.02814	2.1
75.00747	18.4
83.01257	1.7
84.02014	1.1
85.02824	43.7
86.03180	0.8
87.00745	18.5
89.02316	11.2
91.03871	1.1
95.01268	6.2
99.00752	11.5
101.02321	2.2
103.00241	3.5
106.02827	0.7
111.00710	0.9
112.01576	1.3
113.02333	51.3
114.02698	1.1
115.00257	2.5
117.01800	3.0
121.98705	0.7
129.01822	2.4
131.03387	2.0
157.01343	0.9
175.02435	2.7
180.82515	0.8
191.05525	2.2
205.07156	0.9
207.05032	3.1
249.06087	6.4
267.07202	100.0
268.07553	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	263.1289
Annotation	(-)-Abscisic acid
Peak:m/z	Relative Intensity
53.57886	0.6
55.01756	0.8
57.03331	3.8
59.01248	3.4
67.01759	1.3
69.03358	0.9
71.01261	6.9
71.04883	1.1
71.60030	0.7
74.64333	0.8
75.24679	0.6
79.05403	1.4
81.03310	1.0
83.04886	4.1
83.33755	0.6
83.73580	0.7
85.02825	1.3
89.05171	0.6
93.03331	0.9
95.04901	3.6
97.02834	9.6
97.06430	1.1
98.19753	1.1
105.06963	2.0
106.20643	0.7
107.04906	2.5
108.04988	0.8
108.05700	6.7
109.02828	8.9
109.06464	4.7
111.04399	12.7
111.08049	1.9
113.05974	8.5
119.04965	1.2
119.08537	5.6
120.05705	0.8
121.06489	4.0
122.03633	16.3
123.04395	3.2
123.08060	7.8
124.05227	0.8
125.05975	19.5
125.09611	0.9
126.06316	0.9
135.08070	4.7
136.04156	0.9
136.05208	20.4
137.05995	8.3
137.09628	2.2
138.06767	23.8
139.07555	36.6
140.07857	1.8
143.08582	0.8
145.06540	1.0
147.08110	0.9
148.05185	11.0
149.05980	4.5
151.07552	70.1
152.04724	7.4
152.08348	41.9
153.09138	12.0
159.11751	3.7
161.09642	9.0
163.07555	17.1
164.08203	1.3
165.05533	0.9
167.07019	3.3
170.05774	2.1
171.08075	2.1
175.07576	1.6
175.11183	1.0
177.05397	0.7
177.12769	1.0
179.07001	0.9
179.10727	0.8
183.11758	0.9
185.09650	3.0
186.10390	2.9
188.08351	4.0
189.09125	9.7
189.12753	1.5
191.14230	0.7
196.07257	0.7
201.12785	32.1
202.13112	2.8
203.10719	26.4
204.11493	74.4
205.11847	4.8
219.13853	100.0
220.14168	6.8
234.80403	0.7
236.10498	1.3
245.11754	1.1
248.10565	1.6
263.10089	1.0
263.12921	9.1
274.19421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1652
Annotation	Actinolide A
Peak:m/z	Relative Intensity
50.01555	1.0
55.30301	1.0
59.01244	4.1
63.16857	1.1
64.14906	1.1
71.01257	1.6
81.03339	32.7
83.01256	2.1
90.03024	1.1
97.02792	1.1
100.08575	1.2
113.02281	1.2
125.35946	1.1
138.30258	1.3
174.81673	1.2
175.03908	1.5
179.14307	4.9
180.14619	1.4
219.17502	100.0
220.17883	7.2
221.15367	14.5
222.15729	1.4
263.02170	1.3
263.09271	2.5
263.16510	75.6
264.16959	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	263.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.2
59.01252	5.3
68.79456	1.3
69.87697	3.1
69.88113	5.7
71.01253	5.3
71.04925	1.8
83.04892	4.6
85.02809	1.5
93.03303	2.1
95.04903	2.8
96.95885	5.6
97.02834	11.1
105.07005	2.1
107.04894	3.7
108.02037	1.7
108.05682	8.1
109.02822	9.6
109.06493	3.7
111.04414	12.6
111.08010	1.8
113.05972	13.3
114.01849	3.2
116.54790	1.3
119.08540	6.8
119.93854	1.3
120.05673	1.3
121.06503	3.0
122.03631	15.8
123.04449	1.9
123.08052	9.7
124.05164	2.1
125.05988	17.2
130.22606	1.5
135.08093	2.8
136.05188	19.2
137.06001	8.3
137.09634	1.6
138.06779	22.1
139.03955	1.5
139.07567	40.5
140.07915	1.8
142.02661	1.6
143.86748	1.3
147.08037	1.6
148.05226	11.9
149.05939	5.0
151.07556	81.7
152.04684	6.2
152.08344	46.1
153.09143	9.8
159.11716	4.2
161.09636	8.5
163.07550	15.4
167.07050	4.6
170.05620	1.6
171.08049	2.4
175.07628	1.8
179.22742	1.4
185.09576	2.4
186.10446	1.4
188.08334	2.3
189.09158	8.6
201.12804	30.4
202.13155	2.3
203.10725	28.6
204.11497	61.8
205.11876	4.3
219.13858	100.0
220.14243	7.2
236.10468	1.8
245.11914	1.6
248.10487	2.3
263.05740	2.2
263.10101	2.5
263.12875	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	262.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08544	4.3
56.85038	3.5
57.03309	4.2
59.01239	6.1
59.81626	3.7
60.88042	4.2
67.30108	3.3
69.03324	4.2
71.01262	5.2
71.48678	3.5
76.66121	3.8
85.02818	64.7
90.64263	3.2
96.04423	100.0
97.02815	12.9
99.00753	5.1
112.03923	3.9
113.02302	4.7
115.03844	7.1
128.03421	6.6
129.01805	22.0
135.02914	4.7
140.03424	10.8
141.01884	6.3
158.04478	22.1
200.05566	5.9
261.22180	4.6
263.09314	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	259.1701
Annotation	2-Polyprenyl-6-methoxyphenol
Peak:m/z	Relative Intensity
52.65042	0.3
59.01216	0.7
67.01715	0.2
71.01266	0.4
71.49461	0.3
71.49821	0.3
79.74380	0.3
83.04890	0.4
85.02821	1.6
86.36672	0.3
88.23270	0.3
92.22005	0.3
93.03329	0.4
95.67175	0.3
97.06441	0.5
105.89884	0.3
107.04916	2.6
109.02836	1.7
113.06016	0.4
121.02811	0.5
121.06483	0.3
122.03622	11.1
123.04471	2.2
127.03915	0.6
128.03467	0.3
130.08633	0.6
134.03598	1.5
135.04410	38.2
136.05209	27.4
137.05992	13.8
138.06358	0.7
145.06476	0.3
148.05202	8.6
149.05986	7.6
150.06323	0.4
151.03914	3.3
159.04417	0.9
160.05182	0.5
161.05971	0.4
162.06772	0.6
172.05174	0.4
173.06052	0.4
174.06830	1.4
175.07567	3.1
176.08223	1.0
177.09126	1.0
189.01987	0.3
189.09122	3.9
201.09177	0.4
202.09747	0.5
207.13821	0.7
215.06941	0.7
215.10681	0.4
231.13829	0.4
241.16016	0.4
244.14642	11.1
244.17136	0.7
245.15163	1.6
258.16208	1.1
259.02597	2.0
259.17004	100.0
260.14548	0.5
260.17331	10.1
263.16559	0.8
273.14987	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	259.1336
Annotation	Dihydroshikonofuran
Peak:m/z	Relative Intensity
52.84272	0.2
58.04818	0.2
66.66991	0.2
67.72345	0.2
68.99682	2.8
69.96942	1.0
69.97350	0.7
88.24258	0.3
91.68181	0.2
95.01270	0.6
97.02869	0.3
98.19978	0.4
103.05406	0.7
108.02043	8.2
109.02845	0.6
110.91985	0.2
111.00768	2.5
118.39058	0.3
121.02805	0.4
122.03604	0.6
123.00767	1.1
124.01531	0.3
131.04918	4.0
133.06436	0.3
135.00772	2.1
136.01573	4.2
137.02327	0.9
140.00990	0.3
145.06482	0.3
147.04390	2.9
148.01547	5.6
148.05147	1.2
159.04424	0.6
161.02356	0.4
161.05984	10.3
162.06769	11.6
163.07085	0.4
172.05205	0.6
173.05968	0.3
175.03914	8.3
175.07553	0.2
176.04497	0.6
176.99358	0.2
177.05481	0.8
189.05493	3.9
190.06271	13.5
191.06665	1.0
194.05756	1.0
222.91180	0.3
231.13849	9.5
232.14153	0.8
241.12418	0.3
259.13370	100.0
260.13727	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	258.9917
Annotation	Caffeic acid 3'-sulfate
Peak:m/z	Relative Intensity
60.87025	0.7
63.44948	0.7
69.71648	4.0
72.38341	0.9
93.77050	0.7
96.71671	0.8
96.95880	5.7
107.04939	1.0
107.66210	0.7
128.03419	1.7
128.63092	0.9
134.03676	2.0
135.04414	97.1
136.04773	5.0
142.54904	1.0
146.22600	0.9
162.74249	0.8
179.03416	100.0
180.03763	5.3
215.00175	1.2
258.99158	22.7
259.05960	1.7
259.47540	0.9
259.99417	1.7
262.37277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63962	0.8
60.52731	0.8
70.86861	1.7
74.02351	0.9
78.14047	0.8
80.17708	1.0
82.02878	2.0
84.04407	1.5
108.35960	1.0
127.04993	0.9
128.03432	100.0
129.03746	2.1
130.08636	67.1
131.09015	1.7
179.11887	1.5
197.12883	5.7
215.54709	0.8
223.10864	10.0
241.11903	21.7
242.12219	2.0
259.06052	1.5
259.12988	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	259.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90539	0.4
57.79849	0.4
58.02851	0.4
59.13528	0.4
68.04935	0.4
69.03609	0.3
69.26288	0.3
70.86781	1.2
74.02343	1.0
82.02840	4.2
84.04437	2.0
92.29670	0.4
107.82787	0.4
112.03918	0.7
127.05039	1.4
128.03424	100.0
129.03783	3.2
130.08626	83.8
131.08946	3.5
141.10237	1.7
151.08678	1.4
153.10229	0.9
160.86923	0.4
167.11745	0.5
169.13364	0.5
179.11816	3.3
180.10138	0.6
197.12880	11.8
198.11163	0.5
223.10814	9.2
223.12895	0.8
224.11176	0.8
241.11884	15.8
241.14275	0.9
242.12344	1.1
256.90698	0.5
256.93570	0.4
259.12979	8.6
260.13226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0817
Annotation	2',4',6'-Trihydroxydihydrochalcone
Peak:m/z	Relative Intensity
57.03310	1.3
59.01219	0.5
65.00183	2.1
70.14335	1.3
81.03328	12.6
83.01257	2.1
83.90272	0.4
93.03332	0.5
94.36054	0.4
107.01264	2.1
109.02790	0.8
121.02843	0.4
122.03638	6.8
124.01587	0.4
125.02335	6.6
131.04906	1.4
141.06978	0.4
143.08498	0.7
145.06424	0.8
147.08067	0.9
149.05988	0.7
150.56334	0.4
151.00259	4.5
156.05731	2.8
166.02597	1.8
167.08563	0.6
169.06512	2.4
170.07324	0.4
171.08064	5.0
172.08394	0.5
173.05988	6.9
174.06323	0.5
183.07979	0.4
184.05162	0.6
185.09624	0.6
195.08058	2.3
198.06790	0.9
205.35831	0.4
213.09151	39.9
214.09460	3.0
239.07076	4.4
255.72615	0.4
257.08170	100.0
258.08508	7.2
268.66089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0818
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
65.03827	0.5
71.20357	0.3
77.57688	0.3
80.02539	0.3
81.03333	4.4
83.01237	0.2
91.05396	0.5
93.03338	0.6
95.01257	0.6
108.02046	3.6
109.02836	0.9
122.03627	38.9
123.00774	1.0
123.03965	1.6
124.01585	0.4
125.02338	3.9
129.06947	0.3
135.04370	0.4
136.01534	0.8
137.02342	3.6
153.01843	1.4
154.02623	0.9
156.05731	1.2
169.06561	1.2
169.10133	4.6
171.08069	15.8
172.08432	1.1
213.09151	100.0
214.09502	7.6
243.07309	0.3
256.23492	0.5
257.08176	82.8
258.08521	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	252.0512
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
59.01252	1.5
69.78175	0.3
70.36092	1.4
71.00860	0.4
71.01256	8.2
77.97504	0.3
79.68727	0.3
84.43047	0.3
88.03912	3.8
89.02323	0.5
91.01775	1.8
93.03337	19.8
97.76707	0.3
114.01830	0.5
115.00259	13.0
115.01077	0.6
118.02876	17.4
119.03207	0.6
121.02844	1.0
132.02916	3.5
136.03940	100.0
137.02350	5.5
137.04291	5.3
138.02664	0.4
146.06007	1.7
162.05518	0.5
162.78619	0.4
163.50958	0.3
164.07083	7.8
165.07431	0.5
190.05011	0.5
207.96512	0.4
208.06108	5.0
209.06271	0.4
234.04066	1.1
252.05115	20.1
253.05380	1.7
253.09225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1227
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.81155	0.3
55.01745	1.6
57.03322	40.8
58.03650	0.8
59.01250	6.2
65.86163	0.3
69.03340	0.4
71.01257	2.2
73.02816	0.6
79.01758	7.2
79.05401	6.4
81.03306	0.9
83.01270	0.5
83.04886	1.8
83.60495	0.4
85.02825	0.8
87.03853	0.7
87.04386	11.6
89.02319	1.3
93.03331	0.4
95.01274	0.5
98.19741	0.6
101.02325	2.3
101.03832	0.9
106.04121	0.5
107.04869	0.5
109.02841	0.7
111.04374	0.5
113.02328	0.9
115.05434	1.8
117.03307	1.0
117.06982	1.5
117.70399	0.4
119.03391	0.6
119.04888	0.6
120.05705	0.4
121.06477	8.9
122.03590	0.5
123.04412	0.4
123.08038	1.3
130.04207	0.5
131.04900	1.1
133.06474	1.8
135.08057	0.5
141.07001	1.7
144.05734	0.9
145.06497	0.6
147.04419	4.5
147.08014	0.7
149.05951	1.0
154.07719	0.5
155.08549	4.0
156.05681	0.6
159.08057	0.4
160.05302	0.4
161.04434	1.1
161.05962	3.2
162.06805	2.2
165.07124	0.5
169.06438	0.4
169.10104	0.7
171.08011	0.7
175.07607	1.0
176.29955	0.4
181.06497	1.1
182.07339	1.6
183.08075	10.5
183.11699	1.0
184.08450	0.4
185.05948	2.3
193.06889	0.4
193.10057	0.5
195.08037	2.0
196.08804	3.7
197.05936	0.5
198.06779	0.8
200.08362	5.6
203.62909	0.4
209.05986	0.6
209.09647	1.5
210.06766	1.7
210.10342	1.2
211.07457	0.5
211.11234	9.6
212.11557	0.6
214.06361	0.5
220.08842	0.4
223.07576	1.0
225.12749	2.5
235.11214	1.1
237.09180	3.7
238.09940	2.9
251.10661	0.5
253.12299	100.0
254.12640	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	255.0661
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
59.01253	0.6
63.02258	1.0
65.00197	13.1
67.01762	0.7
68.99687	2.0
71.06566	0.6
83.01257	7.2
101.03857	0.9
107.01267	14.7
108.01571	0.4
115.05418	0.9
117.03333	0.5
119.77812	0.3
120.02070	0.6
125.02346	1.0
130.04120	0.6
133.02866	1.7
137.29842	0.3
141.07028	1.9
143.04890	0.7
144.43205	0.3
145.06503	7.2
146.06830	0.3
149.52588	0.3
150.90135	0.3
151.00276	29.9
152.00636	1.2
155.08571	0.8
158.31343	0.3
164.01059	0.8
165.07047	0.4
169.06511	5.1
171.04436	18.7
172.05177	3.2
177.01790	0.3
182.07381	0.3
182.78743	0.3
183.08081	3.8
187.07574	3.6
192.40761	0.3
193.06482	0.8
196.05261	0.4
211.07590	15.4
212.07884	1.2
213.05528	3.7
237.05585	0.6
255.06602	100.0
255.23271	1.5
256.06943	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	247.1699
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
61.26775	0.2
69.19584	2.0
70.45615	0.2
71.01260	0.5
79.95619	0.2
82.05555	0.2
103.03893	0.3
138.37587	0.2
142.72208	0.2
151.02696	0.2
184.00089	2.2
203.07004	0.3
205.15947	0.4
220.17032	0.4
231.13782	0.5
247.17000	100.0
248.08009	2.6
248.17348	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	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11031	1.2
53.70525	1.3
58.23357	1.5
59.01242	5.6
61.98685	1.8
70.62711	5.5
72.61131	1.6
85.64390	1.3
103.85085	1.6
109.84549	1.5
127.07556	5.9
133.10106	2.0
139.71632	1.4
149.09654	1.8
161.13249	6.4
163.03703	1.4
167.06848	2.2
181.12265	23.3
183.13675	1.7
201.08914	4.0
203.10486	10.2
205.08670	3.3
205.12206	5.3
213.07246	1.7
217.08429	2.8
219.06456	1.7
219.09877	8.3
221.11519	7.6
223.13123	66.7
224.13425	3.8
233.07965	7.1
234.05223	1.4
235.09485	17.1
237.11072	30.7
238.11353	3.1
241.14197	2.2
247.81633	1.4
249.07813	5.4
249.11078	94.6
249.15074	6.1
250.11386	7.8
250.14474	16.8
265.10510	13.2
267.12137	100.0
268.12543	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	244.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.6
57.03322	4.6
59.01242	7.8
65.99718	45.9
67.01762	4.6
68.01283	17.6
68.73153	3.7
68.99675	4.1
69.03311	14.8
69.25301	25.8
69.25704	6.9
71.01252	30.5
72.99182	32.9
73.02821	19.6
75.00748	5.6
79.95620	4.8
80.96381	7.4
81.03310	5.1
82.02869	9.7
83.04881	5.1
85.02823	20.1
87.00756	62.1
88.58833	3.7
93.03320	20.9
94.97961	23.3
95.01267	22.8
96.00785	19.4
96.45517	3.5
97.02811	19.0
98.02385	17.9
98.20502	7.9
99.00758	13.0
99.04377	5.0
100.03794	3.9
101.02309	17.1
103.00274	4.2
109.02840	47.7
110.02351	20.7
111.00746	12.8
111.04359	6.1
113.02321	11.3
115.00244	17.3
118.02828	6.1
119.03355	5.2
120.04404	20.5
123.00726	18.1
123.76252	4.2
124.01551	20.9
124.03903	8.5
125.02337	20.9
126.01836	16.1
127.03896	13.4
129.01811	4.4
136.03925	13.5
137.02347	90.4
138.01840	6.0
139.00197	7.1
139.03922	4.9
140.03395	5.6
141.01839	29.5
145.01314	4.9
146.02412	6.9
152.03407	4.5
153.01779	12.2
155.03459	21.9
161.00829	7.3
164.03450	100.0
165.03745	6.7
171.02876	9.6
180.02916	7.1
181.01341	13.7
182.04491	19.7
186.11938	4.3
199.02417	19.7
208.02397	26.9
217.03461	13.1
226.03586	51.8
244.04596	94.2
244.08290	10.7
245.01115	4.8
245.03062	22.6
245.07913	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	241.1078
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.08642	0.6
51.02884	0.8
51.60976	0.7
57.03329	3.8
59.01248	100.0
60.01590	1.2
60.75250	0.6
64.05540	0.8
66.74429	0.7
67.05407	0.7
70.13666	1.7
70.14082	1.7
71.04890	1.3
83.04942	0.8
99.04406	1.5
108.02056	1.7
119.08569	2.6
121.25214	0.7
133.08072	0.7
135.08107	1.8
135.11621	0.7
137.09621	5.1
153.12830	0.8
161.09657	0.9
163.07668	1.2
167.35239	0.8
169.06538	0.8
179.10648	4.2
181.08620	13.2
187.06122	0.7
197.11761	38.1
198.12173	2.6
199.03984	1.0
213.05522	1.1
223.09674	0.8
241.05029	4.0
241.10733	10.4
241.14491	3.1
241.21750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39853	0.8
57.03296	1.4
59.56843	0.7
61.57759	0.7
61.98691	3.7
62.65069	0.8
64.36386	0.8
70.52687	0.7
70.77676	1.7
81.03353	1.4
83.04899	4.6
95.04891	2.0
97.06464	11.7
98.76471	0.8
108.02049	1.8
109.06482	1.4
111.08050	9.5
123.04403	0.9
138.72784	0.8
139.00253	0.9
147.11690	0.9
149.09654	0.9
163.11189	3.0
165.12766	100.0
166.13080	8.1
195.13780	1.7
197.15413	20.8
198.15791	1.8
204.97690	1.5
209.11757	5.8
218.67065	0.8
226.06366	1.0
227.12845	1.3
241.05013	1.5
241.07143	2.4
241.14421	7.9
241.18112	2.9
241.21684	2.4
242.14648	1.1
242.17705	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	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58092	0.3
52.90793	0.3
53.00844	0.3
59.01250	7.8
59.45433	0.3
59.96590	0.7
61.98689	0.5
71.01247	0.4
71.06380	0.5
71.06737	0.3
71.78594	0.3
74.98947	10.8
75.18623	0.3
78.35327	0.3
78.35835	0.2
85.02820	0.3
87.00748	1.0
91.02084	10.0
92.02018	0.4
93.00011	4.7
99.00774	0.4
101.02344	0.3
102.26553	0.2
107.99770	0.3
129.57932	0.3
149.00847	5.1
161.04428	0.9
179.05525	5.2
206.99660	3.0
223.02783	100.0
224.02832	12.9
239.05739	0.7
239.12746	0.7
241.03929	1.4
242.07616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.3
60.01582	1.2
65.34673	0.5
67.20699	0.5
79.95632	1.0
80.13570	0.5
85.08572	0.6
96.95886	13.6
100.48634	0.6
108.02078	0.7
116.04945	100.0
117.05274	7.8
140.74953	0.6
160.03947	80.2
161.04312	4.4
180.05869	1.3
196.00665	10.3
239.99677	41.8
240.99937	2.7
241.05067	1.2
241.07065	1.1
241.10960	0.9
241.14310	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35498	0.3
59.01246	0.7
69.77141	0.3
70.57067	0.3
70.84018	0.2
71.01245	0.4
85.82380	0.3
93.94035	0.3
98.20667	0.6
107.04859	0.3
125.02418	0.4
134.03621	0.8
135.04430	0.3
136.05176	0.8
148.05188	9.5
149.05656	0.4
149.09666	1.4
158.02475	0.3
162.06749	0.6
175.07619	0.5
176.08368	1.0
177.09119	45.2
178.09441	3.2
190.09917	2.1
191.10677	0.8
192.11478	32.4
193.11862	3.1
201.09074	0.4
203.07095	0.7
217.08621	3.1
218.09395	9.3
219.09787	0.5
224.10365	0.5
229.64880	0.4
236.10487	100.0
237.07393	0.4
237.08224	0.5
237.10857	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	237.0613
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03330	3.3
57.03580	0.7
59.01247	2.8
63.13864	0.6
68.99670	0.8
70.96451	2.0
71.01255	2.5
72.99174	2.0
73.02808	1.5
75.00726	1.0
83.01220	1.0
85.02816	6.1
87.00751	100.0
88.01094	1.8
95.01273	1.1
99.00735	0.9
101.02328	1.3
109.02831	1.0
111.00766	1.6
112.32748	0.7
115.00307	0.6
123.55196	0.6
129.01831	11.5
130.02162	0.7
131.03416	1.5
138.09119	0.7
139.00272	1.8
157.01308	0.7
202.93336	0.6
219.01360	1.2
237.06076	3.4
256.28198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0667
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
58.74902	0.5
59.01241	2.2
61.54084	0.5
65.03818	0.7
68.01302	0.6
68.99674	0.6
69.03337	1.5
71.01256	4.6
71.19901	1.2
72.99176	1.1
73.02811	2.0
75.00761	0.7
78.32832	0.5
79.01770	0.5
81.03345	2.9
83.01249	0.7
83.04906	0.9
85.02816	2.4
87.00237	1.1
87.00750	15.2
94.02879	0.9
95.01283	1.0
96.00800	0.5
96.04426	0.7
97.02821	2.7
98.02377	0.9
99.00751	1.5
99.04381	1.6
101.02258	0.5
109.02834	15.6
109.24281	0.5
111.00753	1.3
112.00310	1.0
113.02335	1.3
115.00298	3.3
121.02854	2.4
123.00806	0.7
123.04414	2.9
124.03905	3.1
125.02340	7.9
126.01885	0.7
127.03899	11.8
128.04253	0.5
131.85803	0.5
132.04485	5.2
139.03931	1.6
141.01787	0.8
143.03378	0.7
148.03926	0.8
149.02304	2.1
149.16785	0.6
150.05513	6.0
153.01840	5.4
156.02975	0.5
166.05026	1.1
169.01358	2.4
171.02910	27.5
172.03226	1.8
176.03444	15.3
177.03871	0.9
189.03954	5.5
194.02922	1.0
194.04520	11.6
212.05653	2.7
216.28691	0.6
230.06651	100.0
231.06947	6.2
231.10234	0.6
247.70787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.8
59.01251	63.1
62.57327	1.1
67.01751	4.9
70.63988	3.5
71.01254	12.9
73.02808	1.8
76.97908	1.2
83.01257	3.2
85.02826	2.9
87.00744	1.5
93.03334	14.5
99.00784	2.0
105.63710	1.0
111.00748	4.8
111.04371	1.9
129.01834	6.0
173.04483	12.3
205.04984	1.3
233.04453	2.8
233.06439	2.3
233.15433	100.0
234.15756	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.4
59.96597	0.4
60.42640	0.3
60.97382	0.5
69.97830	1.1
72.45634	0.3
74.98940	7.3
74.99355	0.4
75.96073	0.3
78.19411	0.3
91.02092	0.8
93.00008	3.1
93.03352	0.8
94.83175	0.3
118.96195	0.9
125.49041	0.3
134.99292	8.1
135.92805	0.3
136.97212	2.5
141.07393	0.4
143.05182	0.7
149.00862	72.0
150.00842	4.9
150.98799	1.1
152.96713	0.4
159.08386	2.2
161.06303	4.2
173.04486	0.7
184.00107	0.5
193.81650	0.3
196.03023	0.3
207.97617	0.3
215.05524	1.6
217.07161	100.0
218.07268	11.0
233.10304	96.1
234.06494	0.7
234.10458	12.4
234.15627	0.6
235.08354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03305	1.0
59.01254	0.8
61.98679	0.8
71.01223	0.7
71.49493	0.9
97.02945	0.4
111.00739	0.5
130.25623	0.5
137.02309	0.7
163.06204	0.6
165.12782	1.2
167.14316	31.7
168.14658	2.5
185.06055	0.5
185.15450	0.5
201.01814	1.2
201.05455	0.7
207.93179	0.5
211.13318	27.4
212.13631	1.9
229.01439	1.1
229.05060	1.7
229.08900	2.6
229.14388	100.0
230.14717	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.16428	0.3
54.58676	0.3
57.03319	1.7
59.01239	0.7
61.98677	0.8
70.26435	0.8
70.26813	0.6
71.04891	0.4
75.50365	0.3
80.02555	0.4
83.04902	0.6
84.02063	0.3
85.02805	0.7
92.79897	0.3
98.20518	0.5
111.04416	0.3
120.05623	0.3
125.09643	2.3
127.11184	4.3
145.05098	0.4
155.14349	1.7
160.02744	0.3
160.05064	0.7
165.12779	0.9
167.14326	1.5
171.10184	5.0
183.13815	1.3
185.11847	0.7
201.05487	0.3
203.05630	0.6
209.11758	3.0
211.13336	8.0
212.13629	0.5
229.14397	100.0
230.14734	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	228.0508
Annotation	Showdomycin
Peak:m/z	Relative Intensity
65.99712	14.2
67.01733	2.0
68.01289	2.1
68.99669	1.3
69.03320	7.0
71.01254	14.7
71.49955	1.6
72.99174	2.0
73.02806	5.1
81.03323	4.6
82.02844	4.9
83.01237	2.3
83.04905	1.7
85.02832	5.3
87.00744	17.9
93.03330	2.4
93.07866	1.2
94.02858	7.5
95.01251	3.1
95.04913	2.0
96.00783	4.8
97.02822	10.6
98.02332	1.6
99.00744	1.9
107.01311	1.2
108.02036	3.0
108.04434	1.2
109.02827	2.3
110.02355	3.3
111.00751	3.0
111.04398	2.0
113.02318	6.4
115.00273	7.2
120.04464	2.0
121.02830	10.8
122.02366	3.0
122.06005	1.4
125.02331	100.0
126.02685	6.0
139.03920	14.0
140.03435	3.1
141.01897	2.7
143.03355	1.2
148.03940	15.1
164.03423	14.3
165.01782	5.6
166.04982	23.3
167.05440	1.6
169.01335	16.0
170.01659	1.2
192.02946	25.3
193.03336	2.0
210.04012	64.3
211.04250	5.6
228.05048	25.0
229.05309	2.7
229.14293	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	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.82623	0.2
52.98769	0.2
54.15810	0.1
57.03322	0.5
62.00452	0.2
63.18619	0.1
65.63062	0.2
70.92651	0.3
70.92965	0.2
80.09508	0.2
109.06431	0.3
111.08054	1.1
150.33575	0.2
165.12767	18.8
166.13103	1.7
181.12216	0.3
183.13832	100.0
184.14172	8.8
184.84207	0.2
189.07886	0.2
199.00233	0.2
209.11745	1.9
210.12100	0.2
227.12842	15.6
228.13202	1.6
234.42598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03323	0.4
59.01234	0.5
59.14684	0.4
64.93766	0.3
65.01305	0.7
69.15679	3.9
71.04891	0.7
71.24231	0.4
80.02533	2.8
81.03333	1.8
83.01264	0.6
83.04900	7.7
84.02037	3.3
90.36157	0.4
93.03335	0.4
95.04904	0.8
98.19833	0.7
111.00827	0.4
125.06021	0.5
125.09543	0.5
127.44082	0.4
130.03992	0.3
135.08035	1.0
139.11198	0.4
142.04041	0.5
146.03488	0.6
163.11201	6.0
164.11449	0.6
165.12798	3.6
181.12222	1.4
183.13815	1.7
191.10712	1.6
199.13246	0.4
201.07739	0.4
209.11778	100.0
210.12123	9.5
210.14027	0.8
213.89410	0.4
227.03540	0.8
227.07053	1.4
227.09180	0.6
227.12839	5.2
227.16483	0.6
227.20158	1.8
228.08842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.2
57.03326	19.4
59.01249	14.3
68.99705	1.4
69.61633	2.3
69.62040	5.9
71.01257	14.1
72.99174	8.4
73.02825	3.5
75.00760	5.9
83.01271	11.4
84.02032	2.1
85.02823	100.0
86.03175	2.8
87.00739	8.4
87.91511	1.2
88.01529	1.3
89.02308	1.4
91.02093	3.3
98.20520	1.3
99.00766	1.9
101.02339	11.5
103.00278	1.9
111.00764	40.6
120.99578	2.4
125.02355	2.2
129.01823	26.5
129.69958	1.3
135.01111	5.4
145.44896	1.4
147.02910	6.6
161.04494	2.0
187.02412	2.4
191.01903	2.1
205.03465	28.3
206.03700	1.4
223.02681	2.7
223.04547	29.7
223.06544	2.3
224.04933	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.20161	0.2
53.64622	0.3
57.03316	0.6
59.01248	100.0
60.01590	1.6
60.76997	0.2
60.99155	0.3
61.98718	0.6
71.01272	0.6
71.04892	1.1
71.59411	0.3
73.02827	0.4
85.02826	0.7
87.00745	1.2
88.19031	0.3
89.00217	0.4
91.03846	0.3
94.86766	0.3
95.01266	0.4
101.02305	0.8
109.02815	0.4
111.00764	0.5
114.83775	0.3
123.00769	0.4
124.12985	0.2
132.54565	0.3
137.02351	0.5
144.04401	0.3
149.02393	0.3
151.03928	0.6
161.04471	0.3
161.13264	1.5
163.03860	0.3
163.11220	0.5
165.01819	0.3
166.55502	0.3
171.77174	0.3
176.98209	0.8
177.12883	0.3
179.07072	0.5
179.10719	0.4
193.01367	1.3
194.99249	0.6
196.06195	0.7
205.12277	0.4
208.03667	1.4
223.02776	1.7
223.06020	1.1
223.07893	0.5
223.09802	0.7
223.13341	13.9
224.09286	0.3
224.13721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16001	0.2
59.01236	0.6
59.96588	0.9
61.98698	1.6
63.11152	0.2
65.00176	0.2
69.66084	0.7
74.98939	16.3
75.96078	0.6
75.98891	0.5
81.03333	0.2
83.01280	0.2
85.02824	0.3
89.00212	0.3
93.00005	8.5
93.99944	0.3
101.02325	0.3
109.02869	0.2
119.68909	0.2
121.06352	0.2
125.02322	0.2
134.26752	0.2
137.02318	0.2
149.00858	13.0
150.00801	0.9
150.98773	0.9
151.00055	0.2
151.03856	0.3
169.01163	0.1
176.98213	0.5
188.55075	0.2
193.01382	0.5
194.99207	0.3
195.13831	0.2
206.99640	5.5
207.99689	0.6
208.03630	0.4
208.97615	0.3
223.02771	100.0
223.13327	0.7
224.02818	14.0
225.00761	0.3
241.03877	1.9
242.04030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.3
57.03316	19.7
58.00468	1.9
59.01245	15.1
67.01747	2.4
68.99686	3.2
70.77055	2.8
70.77359	1.9
71.01258	19.2
72.99171	7.6
73.02819	8.2
74.98933	2.4
75.00739	10.8
75.64099	1.8
81.03311	1.8
83.01248	13.3
84.02058	2.4
85.02816	100.0
86.03165	3.1
87.00748	10.9
99.00742	3.2
101.02320	14.8
103.00277	2.2
111.00757	43.9
112.01042	2.6
120.99526	3.2
125.02314	3.3
129.01828	27.2
130.02252	2.0
137.05911	2.0
147.02888	5.2
149.05959	1.9
151.03877	3.2
161.04398	3.8
165.01854	2.1
193.01350	8.6
205.03447	31.7
205.05199	2.8
206.03830	2.3
208.03706	9.4
223.02661	5.1
223.04449	29.8
223.06186	3.8
223.09706	3.3
223.13344	3.0
242.14160	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	213.1492
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.03283	0.2
59.01258	0.6
62.91291	0.2
70.25333	0.5
71.56437	0.1
92.13116	0.2
160.93182	0.2
165.12854	0.2
169.06523	1.6
170.06789	0.3
171.04417	0.2
177.12799	0.5
183.13832	28.6
184.14166	2.5
195.13843	23.4
196.14203	2.1
211.13351	0.8
213.14909	100.0
214.15250	9.4
218.87135	0.2
234.13116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1647
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
51.22938	0.3
59.01240	1.3
61.98696	0.5
65.00190	0.7
65.01284	0.3
65.90520	0.3
71.01234	0.8
71.01621	0.3
72.44402	0.3
74.76019	0.4
93.03320	0.7
98.20599	0.5
99.00734	0.3
108.91022	0.3
122.89311	2.3
137.02284	0.7
137.84485	0.3
144.00797	3.1
147.95854	0.3
153.12766	0.5
169.15904	5.1
171.01866	0.6
171.63797	0.3
172.00418	0.4
175.93027	0.3
186.89656	1.2
197.15417	2.3
206.05251	0.3
213.14847	0.9
215.00931	20.1
215.07083	0.9
215.16464	100.0
215.99411	0.3
216.01212	1.6
216.14842	0.6
216.16817	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	217.1077
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.03328	5.2
59.01255	4.5
60.75801	0.8
60.84956	0.8
62.88688	0.8
69.29675	1.3
69.30087	6.1
71.04887	1.8
73.02781	0.9
74.31541	0.7
74.77749	0.7
81.03345	1.0
83.04902	9.4
83.64137	0.7
88.03922	1.1
93.51248	1.0
93.78155	0.8
97.06478	1.8
99.00756	1.8
99.08029	1.7
109.03975	1.0
109.06460	1.3
127.11188	14.2
135.08034	1.9
137.09630	23.4
138.10005	1.3
153.09177	1.6
155.10687	49.0
156.11032	3.1
159.02950	0.9
169.62383	0.9
171.10149	2.4
173.05989	1.2
173.11749	14.0
174.12209	1.1
181.08603	6.5
189.05464	1.1
190.06119	1.2
199.09698	67.7
200.10056	6.2
215.09200	1.1
217.01505	1.4
217.05118	4.3
217.10762	100.0
218.11128	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	219.1385
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
57.03312	0.9
59.01250	0.4
61.86036	0.3
61.98698	1.3
66.68739	0.3
67.26236	0.3
71.41202	0.7
75.00747	0.5
83.04898	1.4
93.06978	1.0
106.03989	0.3
109.02846	0.7
110.48031	0.3
111.04401	5.1
119.08562	0.4
121.06457	0.7
123.04444	0.5
125.05978	3.4
125.09608	0.4
132.05643	0.3
135.08025	0.8
137.09615	0.9
147.04369	0.6
147.08069	0.6
148.05199	2.9
149.05995	0.9
161.09625	3.9
163.07570	3.6
164.08159	0.3
170.05743	1.1
171.08054	0.5
175.03943	0.6
175.07602	1.4
175.11162	0.6
177.05426	0.6
177.12741	0.7
179.07109	0.4
179.10670	0.3
183.11610	0.4
186.10374	1.1
188.08403	1.3
189.09132	4.5
189.12756	1.1
191.10669	0.4
201.12794	10.8
202.13106	1.2
203.10707	13.4
204.07826	1.2
204.11493	32.1
205.11856	3.2
219.06879	1.7
219.13866	100.0
219.17467	10.2
220.14206	12.3
220.17815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.60165	0.3
56.88824	0.3
58.86974	0.3
61.98731	0.3
69.03318	0.9
70.82130	0.9
83.04884	0.5
97.06461	0.4
115.89675	0.3
121.16216	0.3
126.95587	0.3
138.78394	0.4
139.06314	0.3
155.10622	0.3
165.12735	0.6
167.10661	0.6
167.14322	1.5
181.12276	0.5
183.13821	13.2
184.14165	0.9
193.12296	3.8
211.13333	100.0
212.13676	8.9
228.55782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57801	1.6
63.48535	1.5
63.92795	1.1
65.01318	3.1
77.47655	1.4
81.03309	4.1
82.78687	1.2
88.02302	1.3
106.09469	1.2
108.02032	4.0
121.03974	1.7
122.03625	31.3
125.02299	3.1
130.08673	2.2
131.51703	1.5
137.02319	3.2
145.03970	1.3
154.02641	1.8
160.05032	2.1
169.06425	2.8
169.10168	3.9
171.06732	2.0
171.08029	11.0
172.06224	2.9
187.06139	3.5
213.05797	2.5
213.09161	100.0
213.14870	10.9
213.18640	2.4
214.07413	2.7
214.09486	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	213.0913
Annotation	Tetradehydrochromoarnottione
Peak:m/z	Relative Intensity
57.03319	0.2
59.01214	0.5
59.36658	0.3
60.39040	0.2
65.01308	0.5
65.99731	0.3
70.26739	0.8
71.01228	0.3
80.02552	0.2
81.03330	3.7
83.01257	0.3
85.02797	0.2
85.21246	0.2
89.00201	0.2
90.18229	0.2
91.05379	0.2
91.51568	0.2
93.03340	1.1
95.01267	0.6
108.02042	3.5
109.02859	0.5
112.17067	0.2
121.02795	0.3
122.03619	33.3
123.00751	1.0
123.03925	1.7
124.01539	0.4
125.02331	4.1
129.07024	0.3
136.01509	0.8
137.02345	4.1
144.05556	0.4
146.21191	0.3
151.11189	0.5
153.01852	0.8
154.02618	1.5
156.05693	1.0
160.05017	0.3
169.06493	1.3
169.10120	3.2
169.12283	0.4
171.08055	12.5
172.06212	0.5
172.08423	1.0
176.98262	0.7
183.13814	0.6
186.06587	0.3
187.06108	0.5
194.99251	0.6
195.13797	0.6
212.31221	0.2
213.09151	100.0
213.18530	0.8
214.07420	0.4
214.09468	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	213.0914
Annotation	Tetradehydrochromoarnottione
Peak:m/z	Relative Intensity
57.03314	0.3
57.03780	0.2
60.20337	0.3
61.98685	0.6
65.03822	0.3
71.01243	0.6
71.49482	0.4
72.37723	0.3
81.03316	4.3
81.61610	0.3
83.01223	0.6
89.00187	0.4
89.91623	0.3
93.03329	0.7
95.01254	0.3
97.02823	0.4
105.67726	0.3
108.02028	3.1
109.02821	0.6
111.00771	0.5
121.89483	0.3
122.03616	31.6
123.00719	1.4
123.03912	1.5
124.01556	0.4
125.02335	3.2
130.08586	0.5
134.21213	0.3
136.01552	0.6
137.02325	3.4
138.02609	0.4
146.03604	0.3
153.01852	1.1
154.02580	1.4
156.05685	0.7
169.06506	1.2
169.10123	3.1
169.12251	0.6
171.08047	12.7
172.08421	0.8
176.98221	0.8
183.13815	4.3
184.14191	0.5
194.99274	1.2
195.13802	3.5
196.14212	0.4
213.09135	100.0
213.14862	18.0
213.18298	0.8
214.09479	9.6
214.15161	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	211.0758
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
57.03325	0.3
59.01254	0.3
61.98701	0.9
65.00198	0.4
65.01317	0.7
65.03819	1.4
66.00854	0.4
71.05723	0.3
75.80238	0.3
95.01264	0.7
98.19791	0.6
109.02807	0.3
112.18468	0.2
123.00823	0.4
123.04417	0.4
123.08043	0.3
124.01472	0.3
125.02361	0.8
130.03989	0.5
137.05978	0.3
139.00218	0.4
149.05916	0.4
151.11276	0.3
152.06189	0.9
153.05507	0.7
157.05116	0.4
160.31512	0.2
163.03839	0.3
164.98193	0.9
165.05629	0.5
165.07011	1.7
167.03499	0.3
167.08574	6.8
167.10677	0.9
167.14261	0.4
168.08992	0.8
169.06505	18.2
170.06888	1.5
181.01390	0.6
181.05069	0.3
183.13817	0.9
184.06262	0.3
185.04604	0.5
185.08247	0.3
192.97723	0.3
193.05003	1.2
196.03725	0.5
209.06006	0.6
211.07591	100.0
211.13225	6.1
212.06378	0.4
212.07919	11.2
212.13599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.23708	0.5
51.75606	0.6
57.03325	3.0
59.01246	100.0
59.24401	0.6
60.01579	1.1
60.88615	0.6
61.98698	4.6
65.00198	0.7
70.79213	1.5
71.01250	0.9
74.95370	0.7
77.50555	0.6
80.02576	1.4
81.03348	1.9
83.04909	1.2
91.01830	0.7
92.99700	1.8
94.02857	1.5
95.04900	1.3
97.06459	3.7
109.02802	0.7
109.06464	3.2
113.02209	0.6
120.02030	0.9
121.02834	42.3
122.03222	2.3
123.04388	1.1
124.03951	2.5
125.02345	0.6
135.04453	0.9
137.02376	1.2
137.06041	1.2
144.48155	0.6
151.03931	0.8
156.05617	1.5
164.98216	1.0
165.05536	1.5
165.12772	4.6
179.03474	1.7
183.06715	1.7
194.02177	1.0
194.05823	1.1
209.04497	9.0
209.08304	2.0
209.11743	18.2
209.94960	0.7
210.07823	1.2
210.12154	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	211.0746
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
59.01247	1.3
61.98705	1.0
65.00179	1.2
65.01338	1.3
65.03835	1.6
71.49335	1.0
71.49702	1.7
83.01241	1.4
95.01252	1.7
97.02848	1.8
100.50481	0.9
107.04918	1.0
108.02022	1.3
111.08030	1.5
121.02869	1.1
121.06458	2.0
123.04435	1.6
123.08011	4.7
125.02319	1.8
137.02347	2.5
139.03854	1.1
139.07536	2.3
142.04048	1.0
145.05124	1.1
149.06003	2.6
149.09641	1.0
151.07466	1.1
153.05435	1.3
153.09175	1.1
157.05106	2.4
163.03954	1.4
164.98209	2.2
165.05540	1.0
165.07016	1.2
167.07056	4.3
167.08569	7.0
169.05186	1.8
169.06520	17.1
170.06819	1.6
172.03816	1.1
181.01349	2.1
184.06314	1.6
185.04585	2.4
187.93256	1.0
193.04968	1.7
196.03780	1.5
200.15224	0.9
211.06055	4.1
211.07607	100.0
211.13176	6.2
212.05907	1.4
212.07768	9.0
212.16522	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0602
Annotation	9,10-Dihydroxyanthracene
Peak:m/z	Relative Intensity
59.01226	0.5
61.10559	0.2
65.27711	0.2
70.41008	0.9
83.04866	0.4
85.02833	0.3
89.96245	0.2
90.56596	0.2
109.02850	0.3
121.02843	11.6
122.03173	0.5
123.04391	0.3
124.03928	0.5
139.09232	0.2
141.06984	1.3
142.04097	0.2
142.15930	0.2
142.28706	0.2
156.05603	0.5
163.11226	0.3
164.98207	0.3
165.07005	43.5
166.07332	4.2
167.04922	14.6
168.05333	1.2
179.03445	0.4
183.06682	0.7
185.41541	0.2
194.02022	0.3
194.05794	0.3
208.05260	0.3
209.06021	100.0
209.11473	2.9
210.06342	10.4
210.12109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0655
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02276	0.2
55.41893	0.2
55.77206	0.2
59.01232	0.3
63.92269	0.2
69.50656	0.5
69.51081	0.9
69.82646	0.2
77.03828	0.4
95.04904	0.8
98.20618	0.3
105.03337	5.3
119.01251	0.2
119.08532	0.2
121.02877	0.2
123.04393	0.7
127.52515	0.2
130.28688	0.2
132.01999	0.2
133.02841	37.9
134.03192	2.4
137.05983	0.5
148.05196	0.8
149.02339	2.2
151.03847	0.6
160.01480	0.2
163.07544	1.0
163.14752	0.2
164.04697	3.1
165.05086	0.4
177.01840	12.9
178.02127	1.1
179.07048	0.7
192.04195	100.0
193.04535	7.6
193.06317	0.4
207.06551	18.0
207.13757	0.3
208.06932	1.3
213.42371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0298
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
50.19183	0.4
50.55558	0.4
50.78172	0.4
55.01743	0.9
57.03323	7.5
58.00466	0.5
59.01249	6.7
63.21853	0.4
65.99712	1.2
68.99699	1.7
70.91285	1.0
71.01254	17.5
72.99176	5.0
73.02793	0.9
75.00737	3.9
83.01260	2.4
84.02018	2.2
85.02824	100.0
86.03138	2.5
87.00768	2.7
89.02326	7.9
94.02869	0.5
96.00776	0.6
96.95890	0.6
97.02867	0.5
100.48743	0.4
101.02328	0.9
103.00257	2.8
106.48251	0.4
108.13526	0.5
110.02378	0.9
111.00767	4.4
113.02348	0.5
115.00259	1.8
121.02834	2.6
123.04433	0.5
124.00651	0.5
124.03925	0.7
125.02348	3.2
129.01825	8.4
130.02191	0.4
133.01324	10.8
134.09985	0.5
136.98990	0.8
137.05992	0.8
139.03888	0.7
145.01396	0.6
147.02885	4.7
148.03896	1.1
151.03847	0.4
165.05449	0.7
165.83188	0.4
165.95906	0.5
165.97403	0.4
166.04988	1.5
167.03357	0.5
169.01306	1.2
173.00880	2.6
174.45573	0.4
179.03401	0.9
191.01894	27.8
192.02316	1.7
194.02116	0.8
194.05826	0.6
209.02942	31.7
209.08237	1.2
209.11816	2.1
210.03397	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36223	2.5
55.01755	9.9
57.03310	2.9
58.00462	4.0
59.01254	89.7
68.99681	16.2
71.01256	100.0
71.06274	5.4
71.06614	3.4
72.99181	46.2
73.02816	11.1
75.00744	38.9
83.01262	14.9
85.02815	8.7
87.00758	58.5
89.02293	4.8
96.99182	10.5
99.00759	30.4
101.02312	10.7
101.12601	3.2
103.00224	7.0
103.46992	2.5
111.00768	27.3
112.98695	4.4
115.00263	88.4
115.01070	4.4
116.00589	3.8
117.01831	15.0
120.42272	2.6
124.98717	19.3
125.02328	8.4
127.00263	7.7
129.01836	15.1
130.99745	5.5
142.99780	20.4
145.01338	18.1
154.99767	11.5
173.00908	4.6
175.02425	5.8
187.02408	3.0
205.03397	8.2
210.46924	2.9
216.31958	2.4
224.09346	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	205.1591
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.02839	0.3
59.01244	0.4
59.11388	0.1
61.98710	0.2
68.80806	0.1
70.23309	0.4
71.01241	0.2
75.00742	0.2
85.02800	0.1
98.20459	0.1
99.00742	0.1
101.13326	0.1
113.26152	0.1
115.00272	0.2
120.44174	0.1
133.02858	0.2
135.04472	0.1
147.04385	0.2
161.02295	0.2
161.05978	0.3
162.89249	0.1
164.07085	0.5
177.01778	0.2
187.03987	0.2
189.12802	1.7
190.02592	0.2
190.13013	0.2
205.01361	0.3
205.05104	0.7
205.15913	100.0
206.16254	10.0
222.58366	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	206.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74136	2.8
55.01765	8.0
56.02090	3.0
57.03306	5.1
58.00470	6.2
58.02835	5.6
58.13598	2.6
59.01247	73.4
60.01580	16.4
60.99174	3.2
61.36327	2.5
64.57163	2.6
68.99684	15.0
70.00022	3.1
71.01249	56.0
71.28274	7.7
72.01587	29.6
72.99174	51.6
73.02812	7.9
73.99516	11.0
74.03150	4.1
75.00741	36.2
76.01074	9.1
78.08752	2.9
83.01263	7.5
84.99187	7.8
86.03142	3.8
87.00748	74.3
88.01093	17.6
89.01205	3.0
97.99535	4.5
99.00768	20.6
100.01067	15.5
100.98677	10.9
101.02319	8.5
102.02649	5.0
103.00236	9.7
111.00756	7.0
112.01105	11.0
112.98679	13.8
115.00247	35.9
116.00574	42.4
117.00677	5.3
117.01802	8.5
118.02154	5.7
121.02822	2.8
125.99006	7.0
127.00289	3.9
128.00609	6.4
129.01787	20.5
130.02144	9.2
130.99762	100.0
132.99490	2.8
142.99762	12.0
143.30643	3.0
144.00417	24.3
145.01332	60.8
146.01674	10.4
147.04436	3.6
156.00082	9.5
157.01306	19.3
164.07126	5.2
176.02721	6.7
177.01857	16.3
192.04247	22.3
201.42746	3.3
206.04233	28.0
206.08058	5.1
207.06606	10.0
229.99666	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	206.0816
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
58.02848	35.7
59.01240	4.1
64.46599	1.3
64.81436	1.4
67.06170	1.4
69.34322	8.7
69.34734	1.8
70.02845	12.7
72.00784	6.2
75.00763	1.6
79.50423	1.2
79.95602	4.1
91.05401	5.3
93.03310	1.4
99.00807	1.2
110.27245	1.3
119.04887	1.6
122.03490	1.6
123.00773	1.9
123.04408	1.5
135.04385	5.2
147.04420	39.6
148.04814	2.0
149.02356	1.5
153.01738	1.1
154.21051	1.3
162.09193	1.5
163.07480	1.8
164.07080	100.0
165.07417	5.0
166.02666	1.1
169.53363	1.2
177.01837	9.4
192.00551	1.7
192.04202	11.6
206.08133	36.2
206.12682	2.1
206.16267	2.1
206.99274	1.2
207.02884	2.8
207.06548	6.4
207.08539	3.6
207.10275	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	197.1541
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
54.00964	0.9
57.03317	3.5
59.01239	1.9
61.98692	3.3
65.00206	4.0
67.01739	1.0
68.99664	1.3
69.03328	2.3
69.57273	4.9
71.04891	1.2
74.46391	0.7
81.03332	3.9
82.02853	1.4
83.01243	1.9
83.04896	15.0
85.02785	0.8
85.06464	0.9
87.00751	0.8
89.00205	0.9
91.04108	0.7
93.03339	1.8
95.01261	5.7
95.04904	4.8
97.06466	28.6
98.06807	1.9
99.00755	0.8
107.04938	1.2
109.02861	4.0
109.06470	3.6
111.00779	1.5
111.04410	0.8
111.08043	20.3
112.08408	1.0
116.92780	1.6
121.02837	3.3
123.00771	16.0
123.04406	1.7
123.08038	1.2
125.02348	3.1
126.90406	3.4
135.04446	1.0
135.08054	1.6
137.02373	1.1
137.09608	2.6
138.03145	5.3
139.07550	0.9
147.11687	2.3
149.09621	1.3
151.00282	1.7
151.03909	1.3
153.01865	3.2
153.05495	3.9
153.09088	1.5
153.12729	3.8
160.84149	1.4
162.83838	4.6
163.11224	7.0
164.11607	1.1
165.12758	100.0
166.13086	7.9
166.99773	11.6
168.96420	0.7
178.99791	2.9
179.03421	2.2
179.10658	1.2
182.02133	24.2
197.00851	0.9
197.04503	11.1
197.06174	1.7
197.08124	3.5
197.09853	1.6
197.11728	6.1
197.15425	2.4
197.80768	2.8
198.08327	1.0
209.11789	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	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.95461	0.2
59.01246	0.3
61.98679	0.3
71.13677	0.6
82.02849	0.3
107.04896	0.3
109.06461	4.0
111.08041	3.3
121.02907	0.4
122.03625	0.6
125.09615	1.2
133.10153	0.3
135.11687	0.5
138.06749	1.0
139.07547	0.4
149.05908	0.3
150.03117	0.7
151.03935	0.6
151.11153	0.5
152.10721	0.4
160.84120	0.7
165.01825	0.5
165.05531	0.4
167.14316	6.9
168.14677	0.6
176.98224	0.4
179.10683	5.0
180.04189	1.0
180.11119	0.5
194.99362	0.4
195.02870	0.5
195.06685	2.3
195.13824	100.0
196.14174	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01236	0.8
61.98706	1.0
62.69464	0.3
65.00194	0.7
68.99686	0.3
69.03325	1.1
69.50206	1.1
69.50632	1.5
71.04885	0.9
81.03348	0.4
83.01263	0.5
83.04885	0.6
84.00603	0.3
85.02841	0.5
86.44745	0.4
91.12585	0.3
95.01260	1.3
95.04897	0.8
97.02828	0.6
97.06469	14.9
98.06805	0.7
99.08046	3.9
100.23742	0.4
109.02859	1.0
109.06484	0.9
111.04398	0.4
111.08042	0.6
120.41203	0.3
121.02850	1.3
122.03665	2.0
122.75078	0.3
123.00773	4.2
123.04414	0.4
123.08041	0.5
125.02339	1.6
125.09602	0.8
126.03118	1.2
126.90405	0.5
128.89186	0.4
130.99152	0.4
132.70457	0.3
137.02333	0.6
137.09596	2.0
138.03101	1.5
147.70831	0.3
151.11177	0.7
153.01828	0.9
153.05481	1.3
153.12756	100.0
154.13095	6.8
155.03554	0.4
162.83859	0.5
164.01213	0.4
166.99782	3.8
171.06693	0.5
171.47208	0.3
178.99805	0.8
179.10695	22.4
180.11003	2.2
182.02116	7.7
183.02579	0.6
197.04509	2.9
197.06096	0.4
197.08147	1.8
197.11769	8.6
197.15427	0.4
198.07948	0.4
198.12073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0656
Annotation	Cantharidin
Peak:m/z	Relative Intensity
55.01738	1.1
57.03318	0.4
59.01260	0.2
61.98700	0.3
68.99678	2.0
71.04888	1.6
79.01763	14.7
80.02104	0.6
81.03330	1.0
89.00189	0.3
95.04894	1.5
97.02817	1.2
99.08044	2.7
100.08356	0.1
103.91850	0.2
109.02839	1.7
110.02361	0.1
111.04418	1.3
121.02837	0.2
121.06468	0.5
123.00783	0.3
123.04417	0.4
123.08028	0.7
124.79723	0.1
125.02309	0.3
125.05989	1.3
126.06488	0.2
127.07536	0.1
128.72685	0.1
131.75023	0.2
135.04500	0.2
136.05191	0.4
137.02306	0.3
139.03873	0.2
149.05988	16.3
150.03127	0.4
150.06302	1.1
151.03926	0.4
151.07538	2.0
152.04678	2.2
152.07878	0.2
160.84061	0.1
165.01848	0.4
165.05460	0.4
167.07043	13.7
168.07390	1.0
176.98169	0.2
178.02647	0.2
179.03430	0.8
180.04213	4.6
181.04591	0.3
193.04993	32.2
194.05353	2.3
195.06554	100.0
196.06902	7.3
211.05937	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	195.0656
Annotation	Methyl veratrate
Peak:m/z	Relative Intensity
69.03331	0.4
69.24026	3.6
71.01249	0.4
79.01764	1.5
91.05432	0.4
93.03338	1.6
95.04906	2.6
107.04904	3.5
108.02048	0.6
108.05723	1.9
109.02827	1.1
109.06461	1.5
121.02856	2.9
122.03638	3.7
123.00800	0.4
123.04405	2.7
124.01548	0.6
125.02352	0.6
134.03494	0.4
135.04413	4.2
136.01567	0.6
136.05222	2.9
137.02338	1.0
137.05997	2.6
139.03926	0.8
139.07538	1.1
142.04033	0.6
148.01511	0.4
149.02347	4.3
150.03139	14.9
150.04346	0.7
151.03746	1.4
151.07562	0.9
152.04652	2.2
152.10710	0.6
153.05440	0.7
154.02673	0.4
163.03917	1.8
164.04555	0.4
165.01833	1.3
165.05482	12.5
166.05923	0.8
167.03300	0.4
167.07094	0.9
168.04126	0.3
169.05148	1.2
180.04211	10.8
180.05782	0.6
181.04568	0.4
195.06557	100.0
196.06935	7.2
196.09644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	ferulic acid
Peak:m/z	Relative Intensity
54.22996	0.4
59.01241	1.9
69.03353	0.5
71.01247	2.2
71.02971	0.6
71.03284	0.5
71.33806	0.4
73.02824	1.3
74.87507	0.5
78.95786	0.6
83.01261	0.5
85.02811	2.6
85.08736	0.5
87.00729	1.1
93.03321	1.0
95.01248	0.5
97.02832	0.9
99.00734	1.7
101.02338	3.1
102.94388	0.4
106.04118	1.6
109.02841	1.5
111.00781	0.9
121.02843	3.0
124.01538	0.5
133.02847	6.7
134.03627	100.0
135.03958	6.4
137.01286	0.7
137.02339	21.1
138.02661	1.4
139.03925	6.2
149.02353	1.5
149.05980	22.0
150.03136	2.5
150.06386	1.2
161.04431	2.5
165.01848	1.3
168.10367	0.5
178.02629	69.0
179.02995	4.7
193.04977	27.8
193.06995	2.2
193.08670	0.9
194.05334	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	191.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.1
58.00452	0.3
59.00957	0.4
59.01244	4.6
60.99169	0.4
64.09901	0.2
67.01756	2.0
69.03324	0.8
70.67321	0.2
70.67634	0.4
71.01247	2.6
72.99181	0.4
73.02811	1.4
81.03300	1.3
83.01260	0.4
83.04893	1.5
85.02818	38.6
86.03143	1.3
87.00745	21.4
88.01073	0.4
93.03329	8.9
94.03662	0.3
95.01276	0.4
99.00764	0.4
99.04360	1.1
101.02342	0.6
108.02046	0.2
109.02829	2.1
111.00759	34.3
111.04380	2.8
112.01118	1.2
112.04765	0.2
113.02354	0.3
117.01804	0.3
125.02288	0.3
127.03896	5.3
128.04204	0.3
129.01207	0.2
129.01862	1.8
130.99745	0.3
136.37296	0.2
137.02330	0.5
153.01813	0.2
153.47400	0.2
154.99692	0.3
155.03406	0.2
171.02904	1.4
173.00850	0.8
173.04472	2.4
191.01903	3.9
191.05530	100.0
192.05867	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	192.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
58.03661	0.5
59.01254	4.3
60.01588	1.4
62.32238	0.2
65.31331	0.2
67.01754	1.0
68.02090	0.6
69.03309	0.4
70.03655	0.4
70.69297	0.7
71.01254	2.2
72.01596	1.5
72.99199	0.5
73.02828	1.3
74.03161	0.5
81.03334	0.7
82.03652	0.8
83.04903	0.3
84.05231	1.2
85.02826	17.8
86.03161	18.6
87.00757	4.3
87.03214	1.4
88.01089	3.5
90.98473	0.3
93.03333	2.8
94.03674	7.9
97.00994	0.2
99.04411	0.5
100.01080	0.2
100.04739	1.0
109.02889	0.6
110.03181	2.5
111.00767	0.6
111.04394	0.7
112.01129	2.2
112.04728	2.3
127.03912	1.4
128.04245	4.6
129.04359	0.3
131.03403	0.4
138.02673	0.5
150.84485	0.3
154.02170	0.4
156.03738	0.3
172.03247	1.7
173.03305	0.4
174.04811	2.6
175.06094	0.4
192.05887	100.0
193.05981	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	191.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
59.01242	2.8
62.16971	0.3
63.91200	0.3
67.01769	1.0
69.03335	0.5
70.87827	0.7
71.01263	2.3
72.99205	0.4
73.02814	0.9
78.86307	0.3
80.39022	0.3
81.03342	0.7
83.04893	0.9
85.02821	23.3
86.03169	0.9
87.00751	9.3
93.03330	6.4
94.03683	0.5
99.04400	1.0
101.02344	0.3
108.02056	0.4
109.02840	2.0
110.99989	0.5
111.00764	10.3
111.04388	2.2
112.01089	0.4
112.56557	0.3
113.55271	0.3
119.04945	1.8
121.02844	100.0
122.03172	5.4
125.02319	0.4
127.03901	4.5
129.01816	0.7
137.02333	0.3
147.04408	6.4
148.04883	0.4
163.03827	0.5
171.02898	1.4
173.04485	2.0
176.01074	1.2
191.03517	7.3
191.05531	82.9
192.04027	0.5
192.05862	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	187.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66301	0.7
55.01756	6.8
55.76820	0.7
56.27085	0.9
57.03308	1.5
59.01257	4.3
65.00204	1.9
66.38267	0.7
67.01749	4.4
68.99687	9.4
69.61317	4.8
71.01255	34.8
71.04899	1.5
72.99194	4.1
73.02822	0.9
75.00735	2.2
80.26664	0.7
80.99679	1.1
81.03326	6.3
83.01254	10.2
85.02814	3.2
89.02323	5.0
96.99181	4.7
97.02834	0.9
97.06463	2.1
97.99969	2.4
98.02352	3.5
99.00105	1.3
99.00758	34.5
99.04392	41.4
100.01104	1.1
100.03895	0.9
100.04726	1.5
100.98666	1.1
101.02319	4.5
102.05482	4.4
109.99967	0.9
111.00757	6.5
113.02368	0.9
114.05487	1.2
115.03892	9.1
116.03410	6.0
117.01800	2.1
124.98698	2.0
125.02335	100.0
125.09614	14.5
125.99512	4.0
126.02708	4.5
126.10014	1.2
127.00261	16.1
128.03435	3.4
129.01828	3.2
134.55577	0.7
136.98691	0.9
141.01839	1.4
142.05035	1.1
142.99783	3.2
143.03410	8.2
143.04459	1.7
143.07053	0.8
144.02910	6.6
144.06572	1.2
145.01320	1.8
154.99739	5.7
157.01340	3.3
158.02129	1.2
159.02901	1.7
159.04333	0.7
160.03587	1.0
162.67218	0.8
169.01367	7.2
173.00999	0.8
187.02396	22.5
187.03705	1.3
187.06024	1.9
187.09683	5.1
188.03044	1.1
188.05580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0241
Annotation	2-Methyl-trans-aconitate
Peak:m/z	Relative Intensity
55.01752	13.0
57.03316	3.6
59.01237	6.4
62.46210	1.1
64.03711	1.2
65.00190	4.0
67.01754	4.8
68.85196	1.1
68.99686	13.9
69.03320	1.3
71.01250	47.6
71.04897	2.0
71.48327	1.4
72.00797	1.2
72.99171	6.8
73.02834	1.8
74.66224	1.2
75.00744	2.6
80.99684	2.0
81.03336	5.0
83.01256	13.6
85.02825	3.8
87.00719	1.8
89.02318	8.6
96.99190	3.6
97.02806	2.9
97.06454	2.8
97.99956	3.0
98.02363	4.1
99.00750	50.9
99.04385	46.2
100.04711	2.1
100.98676	1.4
101.02300	5.6
102.05476	4.6
107.30080	1.1
111.00770	7.9
113.02366	1.8
114.05533	1.8
115.03893	9.1
116.03402	5.5
117.01791	2.8
124.98682	2.6
125.02328	100.0
125.09609	17.0
125.99514	5.6
126.02682	4.5
127.00258	18.9
128.03404	4.7
129.01836	4.0
136.98691	1.5
141.01825	2.4
142.05013	1.6
142.99730	2.3
143.03421	10.9
143.04463	2.6
144.02887	6.1
145.01369	2.3
154.99794	6.8
157.01318	2.9
159.02922	1.5
169.01317	8.5
187.02388	29.8
187.03851	2.6
187.05917	1.9
187.09634	8.0
188.03026	2.4
188.05588	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	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03312	1.1
59.01249	4.1
61.93464	0.6
61.98697	1.7
65.00204	1.6
65.01313	1.4
67.01747	2.1
68.99679	1.0
69.03325	2.2
69.42124	0.6
71.01243	1.0
71.50134	0.9
81.03334	1.0
83.01252	1.5
83.04904	2.2
83.39303	0.6
85.02818	0.9
85.06457	0.7
89.01307	1.4
89.68062	0.7
90.00832	0.8
91.02869	1.0
91.19096	0.7
92.69913	0.7
92.99693	1.5
94.02867	0.9
95.01251	2.1
95.04875	1.8
95.29322	0.6
96.99192	1.0
97.02827	1.8
108.04433	0.8
109.02805	1.3
111.00778	6.1
111.04422	2.2
111.08015	0.9
112.03909	1.3
115.02892	0.8
117.71544	0.6
119.89018	0.6
121.06490	3.2
122.02381	1.3
123.00739	1.3
123.04385	0.9
124.01534	3.7
124.03941	2.7
124.98711	1.8
125.02304	0.8
130.03989	1.4
136.98688	2.6
137.02338	1.0
137.05980	0.8
139.00278	3.3
139.03925	1.6
139.07565	2.7
139.11195	1.2
140.00996	1.8
140.07054	1.8
141.01894	1.1
141.05479	0.9
142.04012	1.4
143.04745	1.2
143.63728	0.6
152.98196	3.5
153.00723	0.9
154.54733	0.7
156.05568	4.5
157.05069	6.0
159.62106	0.8
164.98177	3.2
165.01904	1.6
165.05469	2.3
168.00549	6.2
168.04237	2.3
182.99170	0.7
183.02922	14.9
183.06586	11.7
183.10382	5.5
183.13823	100.0
184.03279	0.8
184.06056	4.1
184.14171	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	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01247	0.3
87.64911	0.3
91.32979	0.2
108.00167	0.3
111.00749	0.3
116.07562	0.3
156.05557	0.3
168.00537	0.6
183.02890	1.4
183.06575	0.8
183.13817	100.0
184.14140	9.0
203.97433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.47279	0.2
57.03328	0.2
57.61767	0.2
59.01235	0.6
65.00199	0.3
65.01316	0.6
67.01751	0.3
68.99673	0.3
70.40968	0.7
83.01235	0.2
83.04924	0.2
85.02791	0.2
87.12137	0.2
95.01260	0.4
96.99201	0.2
98.02373	0.3
100.74969	0.2
111.00744	0.8
112.48845	0.2
115.02839	0.3
121.06464	0.7
123.04420	0.3
124.01524	0.6
124.98688	0.2
125.02254	0.2
130.04005	0.3
136.98682	0.4
137.06003	0.2
139.00246	0.6
139.03880	0.3
139.07553	0.5
139.11203	0.5
140.00986	0.3
140.07045	0.4
141.01852	0.2
142.04022	0.4
143.04755	0.5
144.04333	0.3
152.98232	0.5
156.05586	1.3
157.05096	1.4
164.98238	0.8
165.05486	0.2
165.12750	0.2
168.00534	1.0
168.04163	0.3
183.02937	2.1
183.06622	2.2
183.13826	100.0
184.06107	0.5
184.14160	9.1
190.87981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0291
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
55.01738	0.3
59.01244	0.3
65.00169	0.9
67.01752	0.8
68.99681	0.8
69.03319	0.2
70.50784	0.4
71.01255	1.0
72.99178	1.2
82.00458	0.6
83.01254	1.1
84.51867	0.2
84.99210	0.2
87.00755	0.4
95.01255	0.5
96.99188	0.6
98.15843	0.2
99.00713	0.3
109.99976	1.4
111.00761	8.3
123.00746	1.2
124.01556	3.6
124.98668	0.3
127.00266	3.9
136.98692	6.1
137.99042	0.3
139.00270	8.6
139.03915	0.6
139.07559	0.2
139.11220	0.3
140.01050	13.2
141.01376	0.6
151.00273	0.5
152.98192	0.2
154.99756	1.0
168.00549	16.1
169.00867	0.9
183.02901	100.0
184.03242	5.7
184.05890	0.3
203.14011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0553
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
55.01734	1.2
57.03309	1.3
57.04556	1.0
59.01249	21.4
61.96667	0.9
63.38107	1.3
69.03328	2.8
70.63580	2.2
71.01251	22.0
71.04893	3.1
72.99177	7.9
73.02818	12.6
73.76640	1.1
75.00745	100.0
81.03323	5.1
83.01247	3.6
84.01988	1.1
85.02818	12.7
87.00748	55.4
89.02317	4.4
95.01276	1.2
97.02819	4.4
99.00751	18.3
99.04404	1.9
100.01098	1.1
101.02316	5.7
113.02346	2.6
117.01830	7.0
118.45249	1.0
125.02323	6.3
125.88946	1.0
129.01810	1.7
141.01808	3.2
143.03400	11.3
159.02884	1.7
161.04463	25.1
175.74768	1.0
179.05530	70.8
180.05859	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	183.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37522	0.3
59.01262	0.4
65.00180	0.7
67.01752	0.9
68.99676	0.8
70.98840	0.6
70.99214	0.6
71.01244	1.4
72.99176	1.0
83.01255	1.0
87.00758	0.5
95.01265	0.5
96.99188	0.5
99.00794	0.4
99.42062	0.3
109.99972	1.3
111.00763	8.9
111.08027	0.3
121.06454	0.4
123.00738	1.4
124.01545	4.4
124.98702	0.6
127.00254	3.3
136.98698	6.4
137.99059	0.3
139.00262	9.2
139.03842	0.6
139.07436	0.4
140.01056	13.3
141.01427	0.6
151.00285	0.7
154.99779	1.1
168.00548	15.3
169.00883	0.7
183.02902	100.0
184.03247	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	173.0083
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
52.64942	0.7
53.00182	1.3
55.01752	5.7
57.03321	6.6
58.00462	1.2
59.01246	5.4
60.99170	3.3
65.03815	1.2
67.01757	22.7
68.02084	0.9
68.99689	2.0
69.03321	4.0
70.91307	0.9
70.91656	1.5
71.01250	76.2
72.01608	1.6
72.99183	6.3
73.02814	18.7
80.99696	1.2
81.03317	4.7
83.01252	8.8
83.04900	8.9
85.02821	10.8
87.00739	4.5
93.03331	100.0
94.03664	4.8
96.99181	2.1
99.00753	27.5
99.04386	5.1
101.02327	1.5
109.02850	1.6
111.00761	41.3
111.04397	18.7
111.08039	2.3
112.01087	3.0
112.98686	16.0
115.00253	3.3
118.48671	0.7
118.95473	0.8
124.98691	17.7
124.99564	1.3
128.07059	0.8
129.01816	2.9
137.02336	7.4
140.98172	1.1
142.99760	37.4
143.03401	1.1
144.00099	1.3
144.76526	0.7
145.01344	0.8
154.99762	3.4
155.03421	2.5
173.00856	7.5
173.02272	0.9
173.04463	8.0
173.07982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
53.00183	0.6
55.01761	2.3
57.03318	5.4
58.02827	0.7
59.01243	2.6
67.01762	11.5
68.57606	0.5
68.99683	1.2
69.03325	1.0
70.01344	0.5
70.66283	0.9
71.01254	22.9
72.99178	4.0
73.02812	4.7
81.03309	0.5
83.01255	4.8
83.04908	1.7
85.02294	0.9
85.02818	17.1
87.00755	1.9
89.37457	0.4
93.03335	18.5
94.03701	0.7
96.99154	0.8
99.00761	7.2
99.04391	0.8
100.07591	0.8
101.02323	1.2
111.00763	100.0
111.04391	2.6
112.01107	3.8
112.98686	7.5
115.00278	1.6
124.98690	7.3
126.86388	0.4
128.07079	1.5
129.01830	3.0
132.06587	0.6
137.02336	1.1
142.99759	13.3
154.99748	5.0
155.03430	0.5
162.92621	0.5
173.00854	3.6
173.04463	1.5
174.07649	1.0
181.51804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0291
Annotation	5-Methylmaleylacetate
Peak:m/z	Relative Intensity
59.01247	3.5
65.03833	11.3
67.01765	4.9
69.03326	11.5
69.61243	4.1
71.01252	6.0
71.04897	1.4
81.03327	27.9
82.03679	1.2
85.02837	1.5
91.01761	2.7
95.01273	0.8
97.02838	1.6
99.04372	3.1
108.02055	16.1
108.02738	1.3
109.02837	100.0
110.03171	5.6
111.00738	1.2
124.57167	0.6
124.98684	0.7
125.02345	2.1
127.03898	35.8
128.04225	1.8
153.01881	1.4
171.02908	5.9
171.10164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Gallic acid
Peak:m/z	Relative Intensity
57.03331	0.3
67.01759	1.0
67.63531	0.3
68.99717	0.4
69.03329	7.5
69.76253	1.9
70.03638	0.4
72.70536	0.3
79.01759	1.7
81.03329	3.4
83.01278	0.8
83.04964	0.3
85.02830	0.5
95.01271	1.2
97.02834	5.8
99.00784	0.5
103.55983	0.4
107.01280	1.3
113.02326	0.5
124.01556	2.6
125.02339	100.0
125.09665	0.3
126.02676	5.2
133.99675	0.3
153.26277	0.4
157.29967	0.4
169.01343	34.9
170.01671	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	169.0131
Annotation	Gallic acid
Peak:m/z	Relative Intensity
50.46448	0.3
54.19665	0.3
65.00201	0.4
65.22385	0.3
65.99635	0.3
67.01747	0.9
69.03326	6.1
79.01777	1.5
81.03324	2.3
81.84071	0.3
83.01268	0.7
95.01267	1.2
97.02836	5.4
107.01286	0.7
108.02020	0.3
120.99418	0.3
123.00819	0.8
124.01549	1.3
125.02335	100.0
126.02673	5.4
142.03886	0.3
143.02373	0.3
169.01338	27.5
169.05072	0.6
170.01686	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	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
55.97367	0.3
57.03323	1.6
63.86061	0.3
67.01764	1.2
68.99689	0.9
69.03323	4.7
69.62007	1.9
71.01238	0.4
79.01763	0.9
79.50606	0.3
81.03346	1.4
83.01267	0.9
85.02825	1.6
87.33108	0.3
88.18681	0.3
95.01272	1.1
97.02824	3.8
99.00767	1.8
107.01299	0.7
110.00002	0.7
111.00822	0.6
113.02338	2.3
123.00777	0.7
124.01544	1.3
125.02337	100.0
125.99511	0.9
126.02669	5.2
147.03581	0.3
169.01340	35.4
170.01645	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	168.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	97.8
59.03188	1.8
67.01777	0.8
69.03326	6.1
70.04743	1.5
79.01767	0.9
81.03352	2.7
81.99676	0.5
83.01245	1.3
89.22849	0.5
90.06622	0.4
95.01257	1.4
97.02827	5.4
101.96722	0.5
107.01260	1.2
109.09679	0.4
118.95394	0.5
123.00767	0.9
124.01548	1.5
125.02330	100.0
125.09615	0.6
139.03719	0.6
151.00281	1.8
151.11140	0.5
153.01459	1.1
168.13837	6.0
169.01332	28.3
169.04984	1.2
169.12187	0.5
169.14229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Gallic acid
Peak:m/z	Relative Intensity
57.03294	0.8
67.01782	1.1
68.99677	1.3
69.03324	4.4
81.03323	1.4
85.02807	0.9
93.58292	1.0
96.38222	0.8
96.99155	1.3
97.02824	4.2
98.20615	1.5
122.89268	1.7
124.01604	0.9
125.02335	100.0
126.02692	5.0
132.86688	2.9
134.86452	12.4
151.00259	2.4
169.01341	27.9
169.83304	2.0
170.01697	1.8
181.36145	1.0
189.87346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03102	0.4
57.03324	4.9
59.01241	0.5
59.38042	0.4
67.01746	0.6
69.20538	4.3
73.02805	0.5
81.03306	0.5
83.01264	0.6
83.04885	0.5
91.01767	1.6
92.99660	1.0
95.01252	2.4
95.04897	1.6
97.02817	4.7
97.06475	1.0
99.08030	48.2
100.08366	2.1
108.02046	16.3
108.04456	0.6
109.02859	0.9
111.00825	0.7
111.04362	0.7
119.51997	0.4
121.02818	1.2
123.00758	2.2
123.04407	12.2
123.08049	1.4
124.01529	2.0
124.04768	0.8
125.02354	3.2
125.05984	2.2
137.02325	0.5
138.03076	1.2
139.00258	0.7
139.03920	3.8
151.00449	1.3
152.01056	26.9
152.04666	10.6
153.01460	2.2
164.98210	0.7
167.03409	18.1
167.07043	100.0
168.03806	0.9
168.07451	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	166.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56458	1.0
65.01315	1.6
66.03345	1.9
67.01778	1.3
71.48807	1.3
71.49196	1.8
80.02557	1.0
81.03346	5.0
83.01271	1.6
84.97952	1.0
91.01765	2.6
91.08079	1.2
93.03323	1.4
95.01241	5.8
95.04905	4.5
97.02857	5.2
99.04404	4.7
107.03665	1.0
108.02051	19.3
109.02825	4.4
111.00761	1.7
111.04388	1.6
118.90633	1.1
121.02851	3.1
122.03163	1.9
122.06033	2.5
123.00754	8.3
123.04418	19.3
123.08066	2.6
124.01550	3.4
125.02321	5.2
125.03355	1.4
137.02330	8.6
138.03165	9.9
138.09343	1.2
139.00330	2.1
139.03894	6.7
139.04909	1.8
149.02322	1.5
151.00267	8.0
152.01059	48.6
153.60062	1.0
165.01839	8.1
166.02629	100.0
166.04965	4.3
166.99776	1.6
167.03407	30.6
167.07086	4.5
170.02130	1.8
182.99704	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	166.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58368	0.2
52.97564	0.2
53.89704	0.2
58.83615	0.2
59.01254	0.4
65.00218	0.3
65.01300	0.2
65.03813	0.3
65.99704	0.3
66.00830	0.3
66.03341	0.7
66.32726	0.2
67.01747	0.6
68.47929	0.2
68.99689	0.3
69.03321	0.5
78.90269	0.2
79.58260	0.2
80.04917	0.3
81.03302	0.3
81.04444	0.4
82.02852	0.3
82.03968	0.7
83.01264	0.3
83.04899	0.5
91.01770	1.0
92.99716	0.5
93.03330	1.3
94.03713	0.2
95.01257	1.8
95.04910	1.1
97.02818	0.9
97.03935	1.1
98.20583	0.5
108.02052	10.1
108.04445	0.3
109.02814	0.8
111.00746	0.7
111.04414	0.6
121.02839	12.7
122.02352	0.4
122.03150	2.8
122.06026	0.5
123.00782	2.6
123.04414	8.4
123.05363	0.3
123.08046	0.7
124.01532	0.9
124.03940	1.0
124.05036	0.9
125.02354	1.5
125.03337	0.2
136.05199	9.6
137.02322	0.3
137.05544	0.8
138.02797	0.2
138.05501	0.6
139.00241	0.3
139.03923	1.9
140.02423	0.5
149.02335	0.3
151.00276	1.9
151.02647	22.8
152.01056	20.8
152.02817	1.3
165.01819	0.2
166.05002	100.0
166.99724	0.5
167.03403	11.9
167.05328	6.7
167.07031	1.5
183.01654	11.8
184.01950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12205	0.8
57.03318	7.1
59.01257	5.5
61.98696	1.8
65.00196	7.7
66.00851	0.8
66.03361	1.1
67.01762	1.8
68.99693	1.4
69.03316	1.7
71.01252	5.9
71.28976	1.2
72.99176	2.6
73.02828	1.6
75.00744	1.7
77.03826	5.6
80.02505	1.9
80.04966	1.1
81.03326	5.5
82.03979	3.2
83.01241	0.8
83.04908	11.6
85.02847	2.0
87.00751	1.1
89.02309	2.4
91.01759	4.5
92.99680	9.1
93.03340	13.2
93.99205	0.9
94.02851	1.2
94.03668	0.9
94.17482	0.9
95.01263	2.9
95.04902	7.9
96.99227	1.0
97.02829	1.3
97.03983	1.1
97.06461	13.6
101.02288	1.9
107.04913	2.3
108.02021	2.3
108.04440	0.8
109.02844	8.6
109.06547	2.0
111.08047	14.7
113.81013	0.8
119.04889	4.2
121.02846	100.0
121.06442	4.5
122.02312	1.6
122.03201	5.6
122.03725	2.4
122.06001	2.6
123.00763	2.9
123.04411	6.6
123.05528	1.1
124.03930	1.7
135.04402	1.9
136.01550	1.4
136.05206	1.2
136.98724	1.1
137.02345	19.3
137.05983	3.5
138.02744	1.2
138.05495	1.3
147.04413	7.3
147.06482	1.1
149.00873	5.2
149.02237	0.7
150.03119	14.3
151.00240	5.2
151.03545	1.1
163.11194	4.8
164.89484	4.0
165.00511	1.8
165.01852	24.7
165.04111	1.5
165.05482	20.3
165.07590	2.3
165.09108	4.2
165.11380	1.6
165.12762	29.1
166.01270	1.2
166.02550	1.6
166.04941	6.5
166.13158	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	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.8
57.03311	2.0
58.00448	1.2
59.01253	13.8
67.01769	1.4
67.26383	0.9
68.99686	1.2
70.24175	3.0
71.01251	10.6
72.99178	11.4
73.02815	2.0
75.00746	100.0
76.01077	2.0
79.95618	1.8
81.03302	1.1
83.01266	1.2
83.04878	1.1
85.02820	2.8
87.00750	64.8
87.04385	1.0
88.01109	2.3
89.02306	4.8
91.01759	1.8
93.03331	4.9
99.00753	6.9
101.02309	4.5
105.01815	48.9
106.02144	1.5
106.15793	0.9
109.02853	3.0
112.02955	1.0
117.01833	2.7
119.03439	0.9
119.04917	2.2
121.02856	15.0
121.06482	1.5
122.03686	1.7
123.00781	1.6
123.04420	2.6
124.05218	1.1
129.01848	10.1
135.02876	1.4
136.01582	1.1
137.02371	5.2
137.05959	1.6
147.02896	9.6
147.04427	4.1
150.03145	6.2
151.00304	3.5
163.77216	0.9
165.01894	9.3
165.03987	61.4
165.05481	12.3
165.07680	1.8
165.09137	1.6
166.02701	1.4
166.04158	1.2
166.04929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63593	1.0
59.01252	6.0
61.68966	0.7
61.98683	1.4
64.19802	0.8
65.00188	8.1
65.03837	3.7
66.00832	0.8
66.03353	2.1
67.01749	1.0
68.99679	1.6
69.03328	1.0
71.01248	5.0
72.99187	3.2
73.02819	1.9
75.00765	2.3
77.03833	4.5
80.04933	0.8
81.03333	3.3
81.04488	0.8
81.06966	26.4
81.07446	1.5
82.03988	5.8
82.07321	0.9
83.04906	2.3
85.02820	1.9
87.00754	2.2
89.02322	3.0
89.22903	0.8
91.01765	2.9
92.99685	9.7
93.03333	13.9
93.99190	1.1
95.01263	2.7
95.04908	3.0
96.99189	1.0
97.02820	1.5
97.03962	1.8
99.04384	0.7
101.02329	2.0
105.01814	1.2
107.04896	0.9
108.02019	1.9
108.77747	0.7
109.02837	9.8
113.00867	0.9
119.04916	3.3
120.04435	1.0
121.02843	100.0
121.06474	4.5
121.10107	2.2
122.03216	5.1
122.05976	1.3
123.00784	3.7
123.04424	7.4
124.03909	1.6
124.05026	1.7
135.04440	1.7
136.01497	1.1
137.02342	16.9
137.05977	2.8
138.02773	0.8
138.05493	1.2
141.41959	0.9
147.04433	6.1
149.00888	5.4
149.02107	0.9
150.03123	14.5
151.00243	4.1
160.43462	0.7
164.83482	1.0
164.89462	2.1
164.98161	1.6
165.01846	27.0
165.04059	2.5
165.05466	21.9
165.07695	1.2
165.09117	18.0
166.02354	1.2
166.04907	4.1
166.09554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	7.6
59.01251	26.5
65.01316	42.0
65.99706	4.0
68.99676	9.2
69.03343	7.4
71.01258	34.6
71.04878	3.6
71.49395	4.6
72.99184	3.7
73.02792	3.0
73.51234	3.5
77.16501	3.0
81.03349	4.7
83.04891	9.6
83.79970	2.9
85.02815	13.0
85.06420	3.4
87.00735	6.3
88.01837	4.0
89.01317	22.7
90.00842	5.5
91.02888	12.9
95.04903	12.2
98.02360	5.4
99.00747	15.9
102.00890	3.4
102.57754	3.7
103.02906	3.2
106.03997	5.7
109.06474	6.4
111.00768	5.9
111.04389	3.1
111.07305	3.3
111.08034	12.0
113.05943	13.4
113.09596	9.5
115.00254	6.7
115.02912	13.1
116.02443	9.9
116.07076	3.4
127.00269	42.5
127.07558	37.9
130.04007	80.9
131.03517	23.2
131.04366	5.1
139.00252	7.6
139.07535	33.0
152.55745	3.1
156.89319	4.1
157.01347	10.0
157.02499	4.5
157.05078	100.0
157.08611	94.7
157.12202	15.6
158.03497	32.2
158.04553	4.0
158.05690	6.1
158.08975	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	163.0392
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01278	0.2
63.40057	0.1
63.46529	0.1
69.41618	1.3
91.05418	0.5
93.03325	1.0
98.20481	0.3
107.04898	0.2
117.03349	0.2
119.04914	100.0
120.05246	6.3
121.05069	0.2
135.04407	0.3
136.03979	0.2
163.00256	0.5
163.02541	0.3
163.03914	6.4
163.06015	0.3
163.07510	0.2
164.04289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.48795	0.2
54.52685	0.2
55.15282	0.2
56.86686	0.2
59.01262	0.2
60.30855	0.2
61.09747	0.2
65.01321	1.0
65.99702	0.5
67.02874	0.2
69.89627	0.2
71.01238	0.3
71.36646	0.3
76.51491	0.2
81.04461	0.5
82.03975	1.5
83.02382	0.2
85.02846	0.3
91.01777	0.6
91.05416	0.2
93.03320	1.1
93.04464	0.2
94.02899	0.2
95.02370	0.2
95.06023	0.2
97.03958	0.4
99.86465	0.2
101.02319	0.4
109.03983	0.2
117.03383	0.3
118.04029	0.3
119.04916	100.0
120.04394	0.5
120.05234	6.3
121.03994	0.8
121.05096	3.3
122.03480	0.5
134.03506	0.5
135.00734	0.2
135.04433	0.5
136.05031	0.7
137.03465	0.4
146.03500	0.3
162.89212	0.3
163.00261	1.5
163.02551	0.5
163.03917	7.2
163.05940	0.9
163.07405	0.3
164.04453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	100.0
56.02079	3.0
59.01255	2.3
65.00188	3.5
67.01759	2.0
68.99664	2.0
69.03323	1.4
69.58346	8.4
71.01250	17.4
72.99175	1.3
73.02827	1.8
81.03325	2.4
83.01254	53.7
83.04904	6.1
84.01585	1.9
84.04429	2.0
85.02812	3.8
93.03326	24.8
94.03680	1.9
95.01258	6.3
98.02355	1.3
99.00748	4.8
99.04436	1.7
109.02841	2.8
111.00742	6.3
111.04385	7.9
112.03913	2.3
112.98687	1.4
114.05492	17.2
117.01801	1.8
123.00809	1.9
127.00273	24.2
127.03896	1.3
137.02344	4.5
140.01022	4.7
154.99760	59.3
155.02310	1.8
155.03481	9.2
155.06987	1.8
155.10596	1.5
156.00116	2.3
156.06651	1.7
170.60223	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	153.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36846	0.5
57.03325	0.8
58.02843	0.7
58.32258	0.6
59.01241	0.8
60.51922	0.6
64.87875	0.6
65.00190	2.2
65.01315	0.7
65.03817	0.9
65.26257	0.5
65.99749	0.7
66.03362	0.9
67.01783	0.6
68.01273	0.7
68.22978	0.7
68.99680	1.2
69.03333	2.1
70.83963	0.5
71.01228	1.2
71.48946	0.7
71.49368	0.9
72.99178	1.1
81.03323	4.9
82.02858	2.0
82.03990	1.1
83.01282	2.1
83.02363	0.8
83.04917	0.7
84.04387	0.6
85.02817	1.3
86.07644	0.6
95.01271	1.3
95.02390	0.6
95.04881	2.8
97.02827	8.2
97.06458	1.1
98.02395	1.1
98.82710	0.5
104.53880	0.5
107.01268	1.3
107.04886	1.6
108.02056	7.9
108.05701	1.6
109.02837	100.0
109.06480	9.8
109.99971	6.8
110.02428	1.2
110.03127	5.2
110.06833	0.7
111.00769	1.3
111.01846	0.7
111.04398	2.4
111.05513	1.4
111.08029	1.4
112.03886	1.2
112.05088	1.7
113.05971	2.3
117.89469	0.6
122.03627	65.5
123.03962	2.3
123.04401	3.6
123.08057	4.2
124.01553	1.2
124.03955	1.0
124.05143	1.0
124.98747	0.8
125.02341	5.0
125.05960	2.8
135.04398	1.1
135.08051	1.9
136.04103	1.0
136.05190	10.8
137.05997	17.7
137.99490	7.0
138.06769	56.7
139.00247	1.9
139.07602	5.5
149.05992	0.8
150.39307	0.5
151.00281	2.4
151.03906	1.9
151.07553	30.0
151.11194	0.7
152.04681	2.2
152.08342	20.0
153.01840	29.5
153.03067	1.5
153.05507	6.8
153.09123	8.3
153.12746	2.2
154.02251	1.9
154.03925	1.2
154.04985	1.1
154.06073	0.9
154.09387	0.7
159.32645	0.6
167.07085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.3
57.03296	0.3
65.00186	2.7
65.03824	0.6
66.03341	0.6
67.01761	0.7
68.99681	0.6
69.03308	1.1
69.26913	2.9
74.45170	0.3
80.02550	0.3
80.28305	0.3
81.03321	3.4
81.14806	0.3
82.02860	1.2
83.01254	1.5
83.04882	0.6
85.02840	0.4
85.06457	44.5
86.06794	2.0
91.01752	1.0
95.01257	0.7
96.99197	0.6
97.02826	4.0
97.82797	0.4
107.01293	0.5
107.04900	0.6
108.02056	8.6
109.02831	100.0
109.06486	1.5
109.99983	3.5
110.02404	0.6
110.03153	5.8
111.04397	3.9
112.03984	0.4
123.00755	0.5
123.04407	2.1
124.01550	0.5
124.03944	0.9
124.98676	0.7
125.02322	2.9
135.04401	0.4
136.03970	0.3
137.99475	3.7
138.03117	0.9
141.42279	0.3
151.00272	1.1
153.01842	25.7
153.05464	35.9
153.12776	1.0
153.86771	2.3
154.01120	0.5
154.02307	1.5
154.04768	0.5
154.05945	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	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69474	0.1
59.01249	0.5
65.00195	1.0
65.01304	0.2
65.03845	0.2
65.99716	0.4
66.03352	2.0
67.01742	0.2
67.02874	0.6
68.99720	0.2
69.03324	0.4
72.04415	1.8
72.99191	0.2
79.95618	0.3
80.96404	0.5
81.03330	1.3
81.04453	0.5
82.02863	0.4
83.01257	0.4
83.02393	0.3
83.04920	0.2
84.58570	0.1
91.01785	0.4
95.01234	0.3
95.02368	0.3
97.02846	0.3
98.19737	0.2
106.04046	0.3
107.01312	0.2
107.04862	0.2
108.02063	3.3
108.04479	0.7
108.05158	0.2
109.02835	31.7
109.06470	0.6
109.99100	0.5
109.99982	2.1
110.02385	0.4
110.03512	0.4
111.00777	0.2
111.04442	0.3
111.05528	0.3
121.02856	1.1
122.03627	39.0
123.00763	0.4
123.03993	2.0
124.01571	0.2
124.04798	0.3
124.98698	0.2
125.02345	1.5
125.03350	0.3
134.03499	0.3
135.04422	0.7
137.01868	1.3
137.99484	2.3
138.03102	0.5
151.00258	0.7
152.03435	100.0
153.01846	9.2
153.03789	6.4
153.05482	1.6
153.06596	0.2
153.12740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64962	0.7
51.19468	0.6
52.41703	0.6
56.07032	0.6
58.02853	0.9
59.01252	6.3
61.68574	0.7
63.02266	3.0
65.00197	5.5
65.01321	2.7
65.99722	3.2
66.00848	1.3
66.03362	6.6
67.01751	1.3
67.02896	5.8
68.01278	2.7
70.97353	1.1
70.97673	1.0
71.01250	9.7
72.04414	8.7
73.02833	3.5
79.01779	1.3
79.95605	0.8
80.04932	1.5
80.96389	2.2
81.03322	2.6
81.04451	3.4
82.02864	2.8
82.04007	1.2
83.01270	3.1
83.02381	2.4
85.02818	1.1
89.02319	5.2
91.02854	0.7
93.03333	2.4
95.01259	4.6
95.02397	1.6
97.02847	0.8
97.03985	1.3
101.02319	7.8
106.03970	1.7
107.01262	3.6
107.02380	0.8
107.04906	11.1
108.02050	14.2
108.04444	4.1
108.05141	1.0
109.02876	5.0
109.03949	9.0
109.05116	0.8
109.05822	0.7
109.06494	2.0
109.99061	2.7
110.02367	2.6
110.03501	3.3
110.04221	1.0
111.01826	1.4
121.02844	1.2
121.06511	0.8
122.03611	5.9
123.00782	4.7
123.04407	22.7
123.05358	0.7
123.08063	0.7
124.01474	1.4
124.03952	1.2
124.04851	1.5
125.03429	1.8
125.05961	13.3
126.06267	1.1
134.03450	2.0
135.04445	4.4
136.01563	80.7
136.05197	56.4
137.01974	5.4
137.05518	5.2
150.06783	2.5
151.00333	2.9
151.03929	44.9
151.04948	2.7
151.07549	100.0
151.99991	3.3
152.01085	2.1
152.03308	4.5
152.04556	6.2
152.07886	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	152.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02856	0.6
59.01249	1.1
65.00186	1.3
65.01328	0.6
65.03838	0.6
65.99720	1.5
66.03356	2.4
67.01749	0.4
67.02882	1.6
68.01282	0.9
68.99684	0.9
69.03316	0.6
69.97646	0.7
69.98044	0.6
72.04412	4.4
73.63235	0.3
78.03355	1.6
79.95604	0.5
80.96387	1.3
81.03332	3.5
81.04452	1.3
82.02846	1.6
82.03979	0.7
83.01252	1.6
83.02390	0.5
85.02805	0.3
91.01753	0.8
91.02906	0.4
93.03327	0.5
95.01263	0.8
95.02405	0.8
96.99180	0.4
97.02837	1.1
104.01303	0.4
106.02856	0.6
106.03986	0.7
107.01296	0.4
107.03648	6.1
107.04819	0.4
108.02051	7.0
108.04459	0.9
109.02832	68.6
109.06470	0.9
109.99052	1.3
109.99973	3.9
110.02374	0.9
110.03503	1.7
111.01869	0.9
111.04363	0.5
111.05549	0.6
121.02798	0.7
122.02322	1.1
122.03620	30.1
123.00774	0.7
123.03948	1.6
123.04414	1.3
124.01538	0.8
124.03938	0.4
124.04738	0.6
124.98655	0.3
125.02329	3.1
125.03441	1.1
125.05905	0.4
134.02429	0.5
134.03513	1.1
135.04401	0.8
136.01463	0.4
137.01883	2.1
137.99480	3.6
138.02092	0.4
138.03136	0.8
146.05043	0.3
151.00241	0.8
152.00172	1.7
152.03424	100.0
153.01837	21.8
153.03772	6.4
153.05449	4.3
153.06583	0.2
153.12737	0.9
159.61679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74952	13.1
55.01749	15.0
57.03302	12.9
59.01240	25.8
60.18918	13.5
70.24606	21.6
70.25008	31.9
71.01250	52.8
72.87601	13.8
72.99194	21.7
73.02809	25.7
87.00755	48.7
90.01910	14.6
101.02316	43.4
102.05484	100.0
115.00259	38.0
127.00241	22.4
128.03386	28.7
145.01274	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	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04781	4.5
57.03322	31.2
59.01253	48.2
69.55787	22.8
69.56194	7.1
71.01245	38.2
72.99184	7.5
75.00737	19.2
77.33578	3.8
85.02818	92.5
87.00745	100.0
99.00764	7.6
101.02312	9.0
101.05914	5.4
103.03847	9.0
122.19321	4.8
129.01831	20.5
129.03822	5.6
134.27075	5.3
147.01843	9.0
147.02895	35.5
147.04430	15.7
147.06520	6.8
148.05026	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	10.9
61.98693	9.0
63.07444	3.3
65.01317	13.7
70.22687	3.0
71.01247	4.7
71.07075	7.0
77.41385	3.1
82.57344	3.4
84.99168	5.0
90.73192	3.3
103.37492	3.5
105.04441	8.6
106.03979	10.6
107.02402	5.1
107.45628	3.4
119.04890	13.3
120.05512	4.1
147.04420	100.0
147.06580	3.9
148.04991	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09549	1.7
51.04384	1.5
54.16907	1.5
58.02835	2.2
59.01246	5.2
64.01773	2.8
65.00189	2.0
65.01311	12.8
65.99723	16.5
67.02882	10.5
68.01254	1.8
71.01262	19.2
73.02819	6.5
75.00745	3.3
77.03831	3.0
79.02918	2.6
81.04459	8.2
82.02838	3.3
82.03989	1.8
83.02394	5.1
87.00749	5.7
89.02317	41.8
89.02843	2.9
91.02888	3.9
92.02391	3.1
93.03325	9.5
94.02876	2.8
94.99200	5.3
95.01249	3.3
95.02370	3.5
104.97655	2.2
105.03282	2.2
105.04453	2.1
106.03999	19.3
107.02390	6.9
107.03577	2.4
107.04906	3.3
108.01959	6.3
108.04417	3.5
108.05557	10.3
109.03976	5.9
110.04737	2.6
119.02440	2.0
120.01930	3.6
120.03194	2.4
120.05560	3.0
121.02844	39.2
121.03816	2.6
121.05084	3.9
122.02402	3.2
122.03426	7.6
123.01905	6.9
123.04402	2.1
123.05558	2.3
130.04129	2.5
131.03421	5.4
131.04904	2.2
132.05476	2.2
134.03656	4.2
147.04454	2.0
148.05176	2.3
148.96596	2.6
149.02432	19.9
149.03468	7.3
149.04565	19.6
149.05991	100.0
150.00131	7.9
150.01852	2.4
150.03049	9.7
150.05484	1.6
150.06488	14.6
169.92175	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	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80741	1.2
59.01255	1.9
64.01784	1.4
65.01323	5.7
65.99724	6.0
66.00032	1.3
67.02887	3.9
70.65711	4.1
71.01257	4.5
73.02818	1.9
74.06726	1.4
74.85097	1.3
75.00748	1.7
77.03824	1.4
78.03354	1.8
81.04478	1.3
82.02847	1.2
89.02307	9.8
92.02448	2.2
93.03329	4.1
95.01236	1.5
95.02402	1.2
102.04639	5.2
103.05426	12.2
105.03277	2.2
106.03984	4.2
107.02386	2.8
107.03618	1.4
108.02023	2.2
108.05563	2.2
120.01913	3.4
121.02859	18.3
121.05097	1.3
121.06459	1.7
122.02384	1.6
122.03508	4.3
123.01886	3.6
130.04134	74.0
131.04935	100.0
132.05240	9.7
134.03610	2.0
139.03799	1.5
149.02400	8.0
149.03432	2.6
149.04543	7.8
149.05901	9.1
150.00117	2.0
150.01926	1.5
150.03017	6.9
150.06577	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74952	13.1
55.01749	15.0
57.03302	12.9
59.01240	25.8
60.18918	13.5
70.24606	21.6
70.25008	31.9
71.01250	52.8
72.87601	13.8
72.99194	21.7
73.02809	25.7
87.00755	48.7
90.01910	14.6
101.02316	43.4
102.05484	100.0
115.00259	38.0
127.00241	22.4
128.03386	28.7
145.01274	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	7.3
57.03312	8.3
57.30893	5.2
59.01261	35.2
63.93253	4.7
70.96206	9.9
71.01254	100.0
71.04864	4.7
72.99170	32.8
73.02817	9.1
78.07902	4.6
81.03298	10.8
81.57697	5.4
83.01248	29.9
83.04874	20.2
87.00755	75.3
99.00750	13.1
99.04383	6.3
99.08035	5.5
101.02334	31.9
101.05956	20.4
102.05482	21.9
106.82236	5.2
112.98688	6.2
115.00243	59.2
118.02885	11.1
127.00271	28.7
134.75928	4.7
144.96370	6.2
145.01340	32.8
145.02859	10.8
145.04955	9.5
146.02403	59.5
150.60287	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74952	13.1
55.01749	15.0
57.03302	12.9
59.01240	25.8
60.18918	13.5
70.24606	21.6
70.25008	31.9
71.01250	52.8
72.87601	13.8
72.99194	21.7
73.02809	25.7
87.00755	48.7
90.01910	14.6
101.02316	43.4
102.05484	100.0
115.00259	38.0
127.00241	22.4
128.03386	28.7
145.01274	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00196	18.8
57.15483	2.4
59.01267	6.4
68.99681	5.6
70.05841	5.5
70.06233	7.2
71.01254	54.0
72.99181	4.5
80.99697	5.7
82.37424	2.7
84.16021	2.4
85.02867	3.0
87.00742	15.3
87.04379	3.5
96.99188	28.2
98.19823	3.7
99.04474	2.8
107.03467	2.6
112.98702	30.8
115.00285	10.2
124.98705	70.4
125.02338	4.3
140.98207	13.2
142.79497	2.6
142.99779	100.0
143.03381	6.1
144.00102	7.6
153.13570	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	141.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	10.9
57.03331	17.1
59.01242	4.0
67.01748	10.4
68.99683	14.0
69.03328	57.8
70.03684	2.6
70.31437	5.9
71.01252	45.9
72.99175	2.2
73.02826	12.5
79.01778	4.1
83.01250	9.8
85.02828	35.5
87.00732	2.8
95.01261	60.5
96.01604	3.0
96.99201	2.6
97.02831	40.9
98.19903	2.7
99.00099	4.9
99.00758	97.1
100.01102	3.1
100.03923	3.6
111.00761	11.2
112.98705	3.7
113.02332	22.3
116.52958	2.3
123.00765	49.1
125.02355	4.4
127.35020	2.2
139.41313	2.0
140.01039	2.8
140.98196	3.6
141.01843	100.0
142.02237	4.7
142.04018	3.0
143.32942	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	136.0156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68497	0.8
65.00193	1.3
65.03826	0.7
67.01756	0.9
68.99670	0.8
69.94776	1.4
69.95154	3.3
75.12452	0.6
81.03301	1.3
92.04921	1.2
93.03333	95.8
99.92461	5.9
100.92463	1.6
108.02054	4.3
109.02836	2.9
116.77470	0.7
135.89378	33.2
136.01553	42.9
136.04787	1.0
136.86198	2.7
136.89067	100.0
137.02364	31.0
137.05959	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	137.0234
Annotation	p-Salicylic acid
Peak:m/z	Relative Intensity
65.03835	1.3
77.62486	0.2
93.03331	100.0
94.03663	5.8
98.19767	0.4
114.99110	0.2
117.29245	0.2
137.02338	11.1
138.02690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
58.17662	0.4
66.80733	0.3
68.58005	0.4
70.89192	0.5
70.89525	0.8
71.41254	0.4
83.01257	0.4
94.03670	1.7
108.02052	74.0
109.02369	4.2
111.00758	3.4
136.00316	0.5
138.01865	100.0
139.00293	1.0
139.02217	7.0
139.03827	0.7
139.17941	0.4
147.53481	0.3
150.51575	0.3
155.36115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00207	0.6
58.13678	0.5
62.17444	0.5
64.27412	0.5
65.01311	1.8
65.99717	1.3
66.03358	1.7
67.02867	1.3
68.01274	0.6
69.61227	0.6
71.29076	1.3
79.01675	0.6
79.02889	5.4
80.01291	0.7
82.01587	2.9
84.00892	0.5
91.02876	1.1
92.02446	1.6
93.03344	3.5
94.02864	14.3
95.01241	0.7
95.02399	2.4
107.51228	0.6
108.02059	3.4
120.01919	0.7
121.02840	100.0
121.03867	3.4
121.05091	5.7
121.05848	1.3
122.02361	9.4
122.03408	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14070	4.1
52.80187	4.3
55.01751	9.8
57.03314	33.2
67.01757	72.3
68.99680	24.8
70.68639	9.3
70.69006	8.8
71.01247	11.7
72.99174	16.8
73.02816	5.4
83.01272	9.0
85.02815	100.0
87.00759	5.7
88.03908	15.8
91.46479	4.0
101.02326	6.2
108.88784	4.3
111.00702	5.0
129.01817	41.8
130.04001	15.4
141.85338	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24217	1.6
57.03317	4.1
59.01261	2.8
62.73554	1.6
70.41629	6.1
70.54073	1.8
71.01250	100.0
72.01603	2.1
72.99178	29.4
85.02831	2.2
87.00757	3.2
87.04394	8.6
89.02316	8.3
95.48223	1.6
98.19965	2.5
100.43713	1.7
107.03475	1.7
115.00253	95.4
116.00605	5.0
127.95612	1.7
128.65771	1.8
133.01305	17.1
133.04942	8.3
134.02380	1.9
134.04587	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	1192.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04405	0.4
86.02351	2.7
86.05982	0.5
86.98979	0.7
87.05527	1.4
90.00050	0.7
97.03947	1.5
99.05523	6.5
101.07072	1.5
102.05470	1.0
109.03957	1.9
111.05547	0.8
112.03960	0.7
116.01636	0.6
123.05583	0.5
124.03883	0.6
125.02334	2.7
125.03347	0.7
126.01839	0.5
127.05018	1.0
128.03429	19.3
129.03769	0.4
131.04497	0.4
134.93124	0.4
135.05531	2.7
137.07108	0.5
141.06607	2.4
143.04523	26.3
144.04883	0.6
145.06076	1.0
146.04506	2.2
153.06633	2.3
160.00656	8.5
166.09787	1.8
167.04538	2.9
167.08148	1.0
167.95494	0.4
169.01376	2.4
170.03246	0.9
177.01820	1.1
177.03311	2.6
179.04558	7.0
181.06076	1.2
184.10838	0.5
185.05554	1.0
192.07664	0.7
197.05652	0.6
209.11798	0.7
210.08781	6.7
213.03328	0.4
231.04259	0.4
242.07945	0.4
254.07794	7.5
272.08887	16.0
273.09015	0.8
288.06644	5.6
306.07645	100.0
307.07886	4.3
308.07364	0.6
319.04474	0.5
1174.54626	0.6
1192.56604	8.8
1193.56921	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	1192.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
83.02386	0.2
84.04398	0.4
85.03951	0.5
86.02355	2.8
86.05965	0.4
86.98970	1.0
87.05517	1.8
88.03929	0.3
90.00068	0.7
93.04449	0.2
95.02399	0.3
97.03940	1.0
99.05518	7.0
101.07071	1.4
102.05473	1.2
107.06048	0.6
107.97765	0.2
109.03955	1.7
109.07606	0.4
111.03145	0.3
111.05523	0.8
112.03933	0.8
113.03448	0.2
113.07117	0.2
116.01656	0.8
120.01186	0.2
123.05527	0.9
124.03968	0.4
124.07536	0.2
125.02335	0.8
125.03451	0.9
126.01922	0.3
127.05020	1.2
128.03427	22.4
129.03798	0.3
129.99585	0.4
131.04520	0.4
135.05551	2.6
137.07121	0.5
139.01445	0.3
139.05057	0.2
141.06564	1.9
143.04527	29.6
144.04895	0.4
145.06084	1.5
146.04497	2.7
149.07112	0.5
153.06596	2.1
155.08208	0.3
160.00653	8.4
161.00963	0.3
164.08115	0.2
166.09787	1.8
167.03333	0.4
167.04547	2.6
167.08211	1.3
168.10069	0.2
169.01308	0.6
170.03165	0.4
171.04123	0.2
171.07697	0.3
174.08266	0.2
177.01868	0.5
177.03288	3.0
179.02995	0.3
179.04549	6.7
181.06168	1.0
184.10809	0.6
185.05597	1.3
185.76570	0.2
192.07721	1.0
197.05626	0.8
198.08699	0.4
204.45175	0.2
209.11781	0.7
210.08786	6.6
213.03268	0.2
228.09752	0.5
242.07742	0.7
243.03081	0.2
254.07805	8.2
255.08049	0.5
264.56808	0.2
272.08884	14.0
273.09241	0.5
277.21613	0.3
283.09842	0.8
288.06619	5.0
306.07645	100.0
307.07922	4.3
659.80157	0.2
675.72516	0.2
963.65033	0.2
1174.55444	0.6
1192.56897	9.5
1193.57813	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	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	1.5
58.44476	0.8
59.01241	2.9
63.89763	0.7
65.01316	6.8
65.99712	3.6
68.01274	1.0
71.01233	1.3
71.07626	2.2
73.02818	1.8
77.01297	1.3
83.13976	0.9
88.57716	0.9
91.02892	2.5
91.05437	1.0
92.01283	2.7
92.02389	1.9
93.00820	3.0
93.03340	3.6
118.04041	1.1
119.02485	7.3
119.03452	3.6
119.04906	100.0
120.01913	8.8
120.04397	1.9
120.05578	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	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00221	3.0
55.26331	0.4
56.11821	0.5
59.01236	2.3
64.01791	2.0
64.19065	0.5
65.01312	10.9
65.99717	9.4
66.00839	0.7
68.01285	2.6
69.56878	1.0
69.57282	2.3
71.01237	1.2
73.02820	1.0
75.75443	0.4
77.01317	3.1
79.02882	1.2
89.10849	0.5
91.02895	5.8
91.05394	1.2
92.01288	5.2
92.02386	3.2
92.03243	0.6
93.00813	4.3
93.03321	3.6
93.04446	0.8
101.92268	1.2
104.02493	1.2
105.03190	0.7
106.99921	0.5
111.82710	0.4
117.03278	0.6
118.03995	2.5
118.92539	2.6
119.02397	18.2
119.03441	5.1
119.04897	100.0
120.00751	0.6
120.00923	0.7
120.01923	13.5
120.02715	0.7
120.05563	44.2
133.07097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.473
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01264	2.1
87.04421	0.5
97.02821	1.1
99.08036	7.6
101.03845	0.4
109.02861	0.6
115.12601	0.3
121.06451	1.0
125.02292	2.3
125.06002	0.5
128.03447	0.6
136.92747	0.3
137.02289	0.4
143.04541	0.5
145.06508	0.3
149.05977	4.9
150.03157	0.4
152.04735	1.6
155.08585	0.6
161.05882	0.5
167.07048	38.5
168.07397	2.0
169.01337	1.9
171.04422	6.5
177.01837	0.9
183.08063	1.3
191.03491	0.4
193.03339	0.6
193.04987	7.7
194.05539	0.4
196.08835	0.6
200.08368	0.7
209.09648	0.4
210.72839	0.3
211.11226	5.7
212.11458	0.4
222.17400	0.3
222.45073	0.3
225.12805	0.4
242.32634	0.4
243.02660	0.3
248.06801	0.5
250.04004	0.3
253.12325	17.4
254.12628	1.2
255.10257	15.3
255.12373	0.2
256.10562	0.8
273.09055	0.3
281.08240	0.6
295.13388	0.5
297.11316	100.0
298.11676	6.5
305.06610	0.4
306.07635	3.2
307.07736	0.6
327.14014	0.6
339.12354	11.3
340.12650	0.4
371.64499	0.4
383.16501	1.0
384.16425	0.3
401.17715	0.6
427.15515	13.4
428.15918	1.1
577.22375	1.6
595.23401	34.8
596.23822	4.2
1035.58228	0.4
1116.92310	0.4
1191.54553	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	1129.6066
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03335	1.4
83.01241	2.7
89.03880	0.6
93.03336	1.7
95.01257	0.7
95.04901	1.7
105.03341	5.2
109.02837	2.2
111.04346	0.5
117.03358	3.3
119.04913	36.9
120.05241	0.8
121.02886	0.7
123.00764	0.8
125.02332	100.0
126.02682	2.0
132.02084	0.7
133.02861	1.4
137.02345	11.4
139.03915	2.7
145.02866	5.6
149.05956	0.9
151.00194	0.5
151.03857	0.5
159.04407	0.9
160.01588	0.9
161.02348	41.6
162.02815	0.8
163.03915	49.3
164.01074	1.8
164.04297	0.8
165.01848	8.3
167.03395	3.5
175.03917	1.0
177.05496	5.4
179.03368	3.1
199.03885	0.7
201.05531	1.6
203.03337	1.1
204.04190	0.7
219.06581	3.5
221.04581	1.2
225.05605	0.9
225.15970	0.6
227.03493	0.8
241.05110	0.9
241.33188	0.5
243.06682	1.0
245.04353	0.7
261.07697	0.9
269.04596	2.7
269.08127	1.1
281.08139	1.0
285.04449	0.6
285.07562	2.4
286.04834	1.6
287.05582	24.7
288.05948	1.6
304.06223	0.7
305.06641	26.3
306.06998	1.4
307.85638	0.5
325.07257	1.1
450.09723	0.7
451.10321	6.9
677.49829	3.4
715.04205	0.6
751.26849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
59.01239	1.4
66.13625	0.4
71.01251	1.3
71.04893	0.7
71.36453	0.9
73.02814	100.0
74.03141	2.6
85.14188	0.4
87.00737	0.5
90.00845	0.6
91.02866	0.5
99.00761	8.1
99.92436	1.3
104.19505	0.4
116.92717	3.8
117.01015	0.8
117.01833	13.4
117.92759	0.4
118.02159	0.6
118.02863	1.6
118.04026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
56.51439	0.4
59.01260	2.2
69.14941	0.4
70.39896	1.1
71.01237	2.2
71.04897	1.0
72.99213	0.4
73.02818	100.0
73.87770	0.5
74.03143	3.6
91.02853	0.4
96.92039	0.4
99.00755	9.1
99.04389	0.4
99.73009	0.4
99.92460	9.3
100.01044	0.6
100.92479	0.9
106.08842	0.3
116.92745	31.0
117.01822	13.3
117.05447	0.6
117.92761	2.9
118.02138	0.7
118.02878	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	1170.5839
Annotation	Unknow
Peak:m/z	Relative Intensity
81.04439	0.4
82.02846	0.9
84.00777	0.2
84.04431	0.5
85.03971	0.2
86.02347	2.7
86.05996	0.5
86.98984	0.7
87.05511	1.8
90.00041	0.8
95.02400	0.2
96.04411	0.2
96.95901	0.4
97.03970	1.2
98.44460	0.2
99.05513	6.8
100.03963	0.2
100.05824	0.2
101.07084	1.0
102.05474	1.2
103.50082	0.2
104.89570	0.2
107.06010	0.5
108.04430	0.2
109.03955	1.9
109.07568	0.3
111.05518	0.8
112.03943	0.8
113.03441	0.4
116.01637	0.7
120.01158	0.2
123.05552	0.9
124.03931	0.6
124.07577	0.2
125.02309	0.6
125.03429	0.7
126.01843	0.2
127.05000	1.8
128.03423	22.7
129.03796	0.3
129.99596	0.2
131.04514	0.3
135.05548	2.4
137.07072	0.5
139.04984	0.2
141.06573	1.7
143.04518	28.2
144.04863	0.3
145.06068	1.4
146.04489	2.6
149.07095	0.4
153.06593	1.9
155.08089	0.4
160.00636	8.5
166.06340	0.2
166.09749	1.4
167.04520	2.4
167.08165	1.2
169.01349	0.5
170.03204	0.5
171.04027	0.2
171.07654	0.6
177.01898	0.2
177.03294	3.1
179.04521	7.1
180.07631	0.3
181.06105	0.8
184.10837	0.4
185.05623	1.1
192.07724	0.8
197.05597	0.8
198.08745	0.3
209.11720	0.5
210.08765	7.5
213.03381	0.2
228.09845	0.5
231.04445	0.2
236.06761	0.3
242.07759	0.7
254.07794	7.5
255.08128	0.4
255.23152	0.3
265.14508	0.2
272.08871	14.4
273.09119	0.7
288.06564	5.1
300.02710	0.4
301.03531	0.3
306.07620	100.0
307.07874	3.6
352.15070	0.2
463.08716	0.4
626.66656	0.2
673.34888	0.2
1108.57886	0.2
1117.21350	0.2
1152.57593	0.5
1170.58386	10.3
1171.58557	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	1111.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03345	0.4
83.01258	2.5
95.01302	0.2
107.01270	8.3
108.01592	0.2
109.02833	6.8
110.03184	0.2
123.00769	0.4
125.02344	1.5
127.50558	0.2
135.00754	0.3
137.02342	17.1
138.02690	0.5
149.02315	0.2
151.00273	28.9
152.00665	0.6
155.03352	0.4
157.47652	0.2
161.02388	0.1
163.00322	1.2
164.01074	0.5
165.01842	1.6
169.01344	3.7
175.03845	0.3
178.99780	22.2
180.00146	0.8
183.04373	0.2
184.89217	0.1
190.99828	0.6
191.03447	0.3
192.00560	2.0
193.01379	1.4
199.03920	0.2
203.03436	0.4
215.03477	0.2
219.02956	0.2
227.03442	0.8
231.02824	0.2
233.04599	0.2
243.02942	0.7
245.04559	0.4
261.04016	0.5
270.01465	0.2
271.02469	2.9
272.02960	0.4
287.01965	0.9
288.02383	0.2
289.03528	0.5
299.01950	0.6
313.05618	0.8
316.02261	3.6
317.02997	100.0
318.03354	6.1
378.34653	0.2
479.08276	2.0
480.08551	0.3
631.09406	36.0
632.09717	3.8
871.65540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.6257
Annotation	Unknow
Peak:m/z	Relative Intensity
77.20872	0.2
77.88159	0.2
80.65939	0.1
93.03338	0.3
99.08065	0.2
107.18896	0.1
117.03345	21.8
118.03588	0.4
119.04913	26.0
120.05237	0.7
121.02859	1.1
123.04375	0.4
125.02323	0.4
133.02864	0.3
141.12759	0.2
145.02849	100.0
146.03195	3.1
162.03108	0.2
163.03915	19.9
164.04262	0.5
169.01332	0.5
212.56073	0.2
255.02896	0.5
267.19638	1.9
271.02411	1.2
283.09760	1.0
285.20712	9.5
286.21057	0.4
300.02771	1.5
301.03174	0.2
319.04962	0.2
413.23593	0.8
431.24347	82.0
432.24667	5.9
531.11157	0.3
583.45520	0.2
677.15009	0.3
926.58466	0.2
927.82489	0.2
1109.40442	0.7
1110.41406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93022	3.2
55.01746	8.9
66.60876	3.4
67.01759	58.1
70.83361	5.5
71.01233	4.7
78.95773	59.8
81.64622	3.2
83.01250	31.3
83.62683	2.8
91.25727	3.5
93.03000	3.1
94.46688	3.0
110.97498	4.5
111.00759	100.0
112.01113	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	1107.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
76.84174	0.3
84.81203	0.2
97.02800	0.2
100.13413	0.2
103.52850	0.2
121.02845	100.0
122.03183	2.5
125.02343	1.6
167.03514	0.3
169.01297	1.4
177.01810	0.4
180.05727	1.3
181.06494	7.1
195.53917	0.3
209.04541	0.7
209.11807	1.8
220.65877	0.2
225.05528	10.5
226.05840	0.6
227.12961	0.3
254.20781	0.2
269.08102	0.5
284.03250	0.4
285.04047	0.5
306.07813	0.3
313.07178	26.5
314.07501	1.9
319.04471	0.3
357.06158	6.7
358.06241	0.3
365.69186	0.2
401.08755	94.8
402.09079	6.7
499.78775	0.3
714.56995	0.2
1107.45435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	2.3
93.03341	1.0
95.01247	0.2
107.01271	7.4
109.02831	0.6
111.00768	0.1
113.02345	0.1
119.01253	0.1
121.02843	6.3
122.03156	0.2
123.00764	0.4
124.01574	0.2
125.02345	1.2
135.00850	0.1
135.09973	0.1
137.02338	0.1
139.00223	0.1
139.03918	0.3
143.04913	0.1
145.02870	0.1
147.04489	0.2
148.01575	0.2
149.02345	0.8
151.00273	29.1
152.00598	0.8
153.01840	0.1
159.04417	0.3
161.02403	0.3
161.05872	0.1
163.00311	0.8
163.03900	0.3
164.01109	0.5
165.01781	0.2
167.04988	0.1
168.00500	0.1
169.01344	3.3
169.02798	0.2
171.04390	0.1
173.02357	0.1
173.06029	0.1
175.03900	0.1
178.99783	14.8
180.00148	0.5
182.03603	0.1
183.04463	0.3
185.06000	0.1
187.03897	0.4
189.01933	0.1
189.05548	0.1
190.99747	0.1
192.00616	0.3
193.01334	0.6
199.03986	0.1
201.05521	0.4
203.03448	0.2
205.04990	0.2
211.03923	0.5
212.04462	0.1
214.02559	0.2
215.03426	0.2
217.04913	0.1
217.53772	0.1
227.03432	0.4
228.04111	0.1
229.04968	1.0
231.03064	0.1
239.03401	0.2
240.04251	0.1
242.02103	0.1
243.02939	0.3
245.04517	0.9
255.02937	0.7
256.03656	0.2
257.04587	0.6
258.42221	0.1
259.02444	0.1
270.01660	0.2
271.02512	1.2
272.02972	0.2
273.04059	2.0
274.04428	0.1
283.02451	0.3
284.03424	0.1
287.01801	0.4
299.02045	0.3
300.02780	0.9
301.03519	100.0
302.03854	5.4
313.05646	6.3
314.06168	0.4
316.02206	1.4
317.02832	0.3
463.08832	1.7
464.09158	0.1
495.07816	0.1
555.49139	0.1
615.09869	22.5
616.10181	2.4
813.90521	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	1089.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03337	1.1
83.01269	3.3
89.03831	0.9
91.01762	0.8
92.42889	0.7
93.03329	2.9
95.01246	1.4
95.04919	1.0
99.33420	0.7
105.03339	1.9
107.04923	3.5
109.02832	9.1
111.53440	0.7
117.03404	0.8
119.04869	1.4
121.02846	5.8
123.00761	1.9
123.04387	1.0
124.01542	2.1
125.02334	96.1
126.02659	2.6
131.04918	2.6
132.02104	1.1
133.02846	5.8
135.04416	1.4
136.01575	0.8
137.02333	13.9
139.03912	3.8
143.04883	0.9
145.02869	1.5
147.00757	1.7
147.04410	1.6
149.02342	10.1
149.05974	1.5
150.03001	0.7
151.00336	0.9
151.02690	1.0
151.03909	16.9
152.04123	0.8
155.04877	0.8
159.04395	1.9
160.01549	1.1
161.02350	12.2
161.05949	0.7
162.03064	1.2
163.00299	5.4
163.03922	3.1
164.00986	4.6
165.01857	8.2
166.02570	0.8
167.03435	3.8
169.01291	1.9
169.36517	0.8
171.04466	1.1
173.02332	1.2
173.05977	1.9
174.03139	2.3
175.00328	4.3
175.03912	24.6
176.01094	2.6
177.01848	100.0
177.05318	2.5
178.02211	3.5
179.03413	1.8
179.80707	0.7
183.04477	1.6
187.03920	4.0
189.01830	2.7
190.02681	1.5
191.03406	5.9
192.03783	0.9
193.04958	3.4
199.03932	10.6
201.01956	4.6
201.05511	3.0
203.03415	3.2
205.05013	0.9
211.03937	2.0
213.01869	1.0
213.05441	1.9
214.02582	1.2
215.03464	3.8
217.01399	2.5
217.05003	12.9
219.02931	12.6
219.06535	3.1
220.03357	1.1
221.00888	0.7
224.04488	0.7
225.05527	2.3
227.03569	3.4
229.01384	2.5
229.04984	2.3
231.02968	1.6
233.04512	1.1
237.05441	0.8
241.05020	2.2
243.02948	46.4
244.03296	2.9
245.00932	1.3
245.04460	2.7
249.05603	0.9
251.03505	0.8
255.02965	13.9
256.03580	3.0
257.04553	2.7
259.02390	1.5
259.06091	1.6
261.04013	20.4
262.04376	0.9
267.02939	2.3
269.04556	9.5
271.02515	0.9
273.04007	2.4
281.04541	1.3
282.01785	1.3
283.02411	5.2
284.02863	1.1
285.04034	5.8
287.02597	1.1
287.05576	6.4
293.04489	3.9
295.02402	3.4
295.05804	1.4
297.04037	3.7
299.05609	2.2
301.03445	4.8
303.05084	23.5
304.05490	0.9
305.06818	9.4
311.05713	1.2
313.03546	1.3
315.05026	1.4
323.05896	1.6
327.05267	1.6
335.05554	1.9
339.04889	1.5
347.05603	1.4
357.05887	1.1
359.05383	0.8
361.03516	2.4
373.03598	0.8
374.04062	1.5
377.07370	0.8
379.04251	1.4
379.08505	1.0
391.04544	2.5
395.07971	0.8
397.05518	1.0
400.77078	0.7
405.06213	4.8
407.07782	1.2
411.07367	1.2
419.04117	1.6
421.05658	4.2
423.07190	30.6
424.07397	2.4
427.06693	3.2
429.08218	6.3
437.05276	1.0
439.06705	5.3
441.08115	1.9
447.07117	1.2
463.06439	0.9
465.08279	6.2
466.08511	1.1
469.07370	0.8
481.06635	3.4
483.09460	3.5
497.08487	0.9
505.76749	0.9
515.09381	1.2
523.06763	1.2
541.07733	13.0
542.07990	1.4
559.08887	7.8
565.09845	1.3
573.10516	1.0
577.09674	1.4
583.08868	1.7
584.08179	1.1
589.09265	0.9
591.11261	7.2
599.12109	2.4
601.09668	4.1
607.11371	3.7
609.12805	2.4
617.12817	5.2
659.14117	3.2
691.11853	1.2
709.11792	10.5
710.13434	1.1
717.12518	2.7
727.13306	12.0
728.13477	1.9
735.13593	6.1
745.14502	1.0
753.14594	1.8
769.13898	2.6
785.17523	4.3
895.17664	1.5
903.17651	8.7
904.18127	1.9
921.18439	2.6
1089.23071	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	1061.278
Annotation	Unknow
Peak:m/z	Relative Intensity
74.68363	1.0
78.76395	0.9
81.03329	6.1
83.01275	3.8
85.02842	1.2
90.07163	0.9
93.03322	5.0
93.95121	1.1
95.01249	1.6
95.04902	3.8
97.02835	3.5
99.04404	1.9
103.00283	1.0
107.04911	1.4
109.02827	2.8
111.04411	1.9
113.02364	1.1
119.04930	8.2
121.02846	4.3
123.00807	1.4
123.04412	14.4
125.02329	15.8
135.04420	3.3
137.02332	5.2
137.05992	7.2
139.03908	9.5
147.04456	2.4
149.02383	1.6
149.05946	2.0
151.03926	3.7
153.05466	1.3
161.06006	1.8
163.03920	3.2
163.07562	1.5
165.01884	2.1
165.05469	6.0
167.03406	26.7
168.03743	1.9
168.30571	0.9
169.01315	3.1
175.03894	1.3
177.01865	3.3
177.05502	2.3
179.03406	6.3
179.07051	1.1
181.04959	3.7
189.05511	5.9
191.03410	2.0
193.04987	3.6
197.04506	3.4
205.05064	1.1
209.04475	25.5
210.04730	1.5
221.04543	4.4
223.06104	1.8
229.08652	1.3
239.05568	12.1
247.05884	1.1
251.05594	4.0
263.05569	1.3
269.06802	2.6
271.02307	2.4
273.07697	3.3
281.06650	1.1
285.03992	1.0
285.07651	1.6
301.03613	1.1
315.08820	16.4
316.02271	2.3
319.04724	1.6
327.08817	6.8
341.10373	1.8
345.09784	6.4
346.09906	1.4
357.09784	100.0
358.10074	9.1
369.09775	3.5
371.10974	1.4
387.10843	68.1
388.11136	6.1
399.10907	4.6
417.11917	23.0
418.11948	2.2
459.13046	10.9
460.13281	1.5
463.08722	6.2
477.13995	50.2
478.14340	5.2
489.13922	5.7
507.14984	5.6
579.16937	6.5
597.18237	71.3
598.18530	8.3
710.69403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
75.88895	0.1
79.01761	5.5
79.05446	0.1
91.05408	1.0
95.41843	0.1
97.02811	0.3
107.04896	0.5
111.03638	0.3
111.04391	4.6
116.92780	0.2
123.04403	2.2
124.61629	0.1
125.02309	0.4
135.04402	6.2
136.05225	0.9
141.44221	0.1
143.29817	0.1
145.06477	1.1
147.04440	0.2
148.05177	0.5
149.02284	0.6
151.03903	2.4
153.05440	0.8
155.08556	0.4
159.08051	0.4
161.06068	0.2
163.03873	0.6
164.04692	2.9
168.04131	0.1
169.01303	0.5
171.04416	0.9
173.06018	0.2
177.01833	0.5
179.03409	4.6
183.08072	2.0
186.06744	0.2
191.03369	0.4
192.04208	2.0
196.03635	0.3
197.04463	0.4
197.09610	1.2
205.04982	0.6
206.32320	0.1
211.11261	0.3
213.09108	2.0
215.10712	0.2
221.09689	0.3
224.03201	1.5
235.44769	0.1
237.09172	1.1
238.09366	0.1
239.10738	2.3
241.08640	4.5
242.08928	0.4
255.10237	5.1
256.10498	0.3
265.08661	0.5
281.08139	0.3
283.09726	100.0
284.10065	7.1
401.91910	0.2
484.41522	0.1
785.39929	0.4
956.75806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01757	6.4
80.02067	0.1
88.98674	0.2
91.05408	1.3
92.05740	0.1
97.02835	0.4
98.20500	0.1
107.04886	0.5
109.06467	0.1
111.04392	4.3
112.04756	0.1
119.04900	0.1
122.03630	0.1
123.03558	0.2
123.04403	2.3
125.02354	0.8
135.04407	6.9
136.05247	0.9
137.05991	0.1
145.06497	1.1
147.04391	0.1
148.05190	0.3
149.02339	0.8
150.03084	0.3
151.03903	2.7
152.04434	0.1
153.05473	1.0
154.05777	0.1
155.08559	0.3
159.08032	0.4
161.05974	0.2
163.03940	0.7
164.04698	3.4
165.05070	0.1
167.03354	0.1
168.05687	0.1
169.01324	1.1
171.04428	1.0
172.04791	0.1
173.05952	0.2
177.01851	0.4
179.03410	4.4
180.03799	0.3
181.06488	0.1
183.08064	1.9
183.60730	0.1
184.08435	0.1
186.06850	0.1
191.03430	0.5
192.04196	2.3
193.04617	0.2
193.10152	0.1
195.11633	0.2
196.03680	0.5
197.04454	0.4
197.09630	1.0
205.05054	0.5
209.11809	0.4
211.11230	0.2
213.09174	1.9
214.09407	0.2
215.10617	0.1
221.09610	0.2
222.06680	0.1
224.03180	1.4
224.08232	0.2
225.03401	0.1
237.09181	1.2
239.10730	2.3
240.11092	0.3
241.08661	4.5
242.08990	0.5
253.08952	0.1
255.10228	5.0
256.10596	0.5
265.08606	0.5
271.31982	0.1
281.08307	0.3
283.09729	100.0
284.10074	10.1
284.13391	0.2
285.10297	1.3
309.20578	0.3
400.32208	0.1
445.65442	0.1
487.99863	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	1061.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95602	4.4
95.76497	0.2
95.95115	0.2
96.95884	100.0
97.95825	0.2
125.02331	0.8
169.01363	0.9
172.26447	0.2
177.01778	0.3
191.05383	0.3
211.39456	0.2
222.06786	0.3
225.05640	0.3
227.07047	0.2
239.07088	0.5
240.07838	2.4
240.10175	0.2
241.08345	0.2
253.02966	0.2
253.08675	0.6
255.02791	0.3
265.08542	0.2
266.09634	0.3
271.02640	0.4
272.06870	1.1
279.10272	2.8
280.10547	0.2
283.09879	0.2
286.79251	0.2
293.11771	1.6
294.12601	14.9
295.12943	1.2
300.02832	0.9
309.14935	26.4
310.15213	2.0
312.13702	1.2
326.11612	0.4
327.15958	5.5
328.16284	0.4
392.09589	0.2
407.11655	94.6
408.11963	5.8
450.11655	0.2
576.59497	0.2
635.13562	0.2
653.15259	0.9
684.23914	0.2
899.72162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01228	2.1
83.82716	1.2
85.51605	1.1
89.02314	1.3
89.03834	1.2
93.03311	3.5
95.04888	1.7
105.03346	2.7
107.04902	4.1
109.02828	6.5
119.04893	1.0
121.02087	1.0
121.02811	6.7
123.00773	2.4
123.04404	1.4
124.01584	1.5
125.02335	85.2
126.02692	2.1
131.04964	2.0
133.02879	6.7
135.00821	1.1
137.02335	14.6
139.03888	4.0
145.02846	1.9
147.00768	2.1
147.04491	1.4
149.02380	8.4
149.05998	1.4
151.03908	14.9
159.04442	1.7
161.02328	10.6
163.00261	4.4
163.03915	4.3
164.01054	4.7
165.01852	7.4
166.02594	1.5
167.03419	4.0
169.01306	3.6
173.05933	1.6
175.00258	5.0
175.02512	2.0
175.03925	21.1
176.01001	1.7
177.01851	100.0
177.05299	3.0
178.02206	3.5
179.03358	1.6
187.03917	2.4
189.01830	2.9
190.02556	1.4
191.03384	6.3
193.05019	3.3
199.04015	9.7
200.04224	1.1
201.01831	3.9
201.05293	2.1
203.03439	3.3
205.01434	1.2
211.03880	2.3
214.02608	1.7
215.03419	3.3
217.01503	2.5
217.05017	11.0
219.02940	10.8
219.06511	1.9
221.04500	1.2
225.05515	3.5
227.03438	5.2
229.01482	1.5
229.04977	2.6
231.02950	1.4
233.04495	1.6
239.03334	1.4
241.04976	2.3
243.02942	43.5
244.03268	1.8
251.03430	1.5
255.02995	12.7
256.03683	2.5
257.04492	3.1
259.02429	1.5
259.06216	1.2
261.04010	19.3
261.07864	1.5
267.02847	1.8
269.04465	8.7
271.02576	1.3
273.03970	1.7
281.04565	1.9
282.01843	1.4
283.02481	4.6
284.03314	1.6
285.03983	6.5
286.04501	1.5
287.05545	5.7
293.04498	2.8
295.02557	2.0
297.03964	3.5
299.05792	1.4
301.03546	5.9
303.05078	24.9
304.05530	1.2
305.06763	8.4
311.05771	1.2
335.05719	1.8
337.07571	1.4
361.03616	2.6
373.03644	1.8
374.04272	1.7
381.06326	1.5
391.04584	2.4
393.06348	1.2
403.04633	1.2
405.05930	4.6
419.03854	1.5
421.05487	2.5
423.07178	31.8
424.07492	1.6
427.06647	2.2
429.08142	6.9
439.06570	4.7
441.08191	2.2
451.10425	1.6
465.08020	5.3
481.07806	4.2
483.09125	3.2
541.07642	12.4
559.08948	6.3
569.10809	3.8
571.08832	1.4
577.09344	1.8
587.11798	5.3
591.11237	4.9
601.09814	4.5
607.10834	4.5
609.12061	1.4
629.13190	3.1
687.11621	2.2
691.10754	1.7
705.12299	4.6
709.12024	11.8
727.12878	12.4
728.13422	1.7
755.15698	4.8
765.15552	1.6
769.14325	1.9
873.16925	8.1
874.16888	1.6
988.47565	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	1030.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00780	0.6
74.02340	9.2
81.04466	0.6
82.02859	1.2
84.04406	0.2
85.03965	0.4
86.02346	3.5
86.06002	0.3
86.98980	0.7
87.05511	2.1
89.02308	0.3
90.00069	0.9
95.02414	0.2
96.04442	0.3
96.95877	0.7
97.02867	0.3
97.03959	1.2
97.06435	0.3
99.05514	8.7
101.02316	0.2
101.07074	1.1
101.64146	0.2
102.05479	1.4
107.06026	0.4
107.59123	0.2
108.04468	0.2
109.03950	1.8
109.07587	0.4
111.05506	0.6
112.03933	0.9
113.03454	0.3
113.07075	0.3
116.01642	0.7
120.01125	0.3
121.03759	0.2
123.04575	0.2
123.05527	0.8
124.03939	0.5
124.07598	0.2
125.02335	4.4
125.03423	1.0
125.04223	0.2
127.04992	1.5
128.03423	23.2
129.03746	0.6
129.99591	0.4
131.04466	0.3
135.05528	2.6
137.07126	0.4
139.01360	0.2
141.06590	2.1
143.04523	30.1
144.01135	0.3
144.04866	0.5
145.06097	1.5
146.04485	2.5
153.06561	2.1
154.54305	0.2
155.08107	0.4
160.00645	9.3
161.02385	0.3
166.09747	1.1
167.03349	0.7
167.04543	2.7
167.08180	1.4
168.29747	0.2
169.01350	5.0
170.03238	0.3
171.03976	0.3
171.07759	0.3
171.10115	0.4
177.01874	0.8
177.03310	3.2
179.04532	7.1
179.07985	0.3
180.04875	0.3
181.06104	1.0
184.10829	0.4
185.05573	1.1
192.07751	0.7
193.12245	0.4
197.05592	1.0
198.08662	0.4
209.11757	0.7
210.08780	6.9
213.03268	0.3
225.14915	0.2
228.09856	0.5
231.04390	0.3
242.07745	0.7
243.02974	0.3
254.07788	6.4
272.08871	13.9
273.09268	0.5
277.21716	0.7
287.05530	0.2
288.06549	5.2
289.18198	0.6
290.18524	0.3
305.06573	0.4
306.07629	100.0
307.07944	4.6
307.19162	0.6
319.04520	0.6
341.23291	2.2
342.23676	1.1
397.13406	0.7
419.39893	0.3
1030.52161	2.5
1031.52368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00774	0.8
74.02338	10.4
80.03670	0.4
81.04450	0.5
82.02843	1.4
84.02050	0.5
86.02347	3.6
86.05956	0.6
86.98962	1.1
87.05505	2.8
88.03930	0.4
89.02303	0.8
89.95753	0.4
90.00071	0.9
92.46045	0.4
96.95895	2.1
97.03939	1.4
99.05526	7.9
101.02319	0.6
101.07063	1.5
102.05478	1.4
107.06034	0.6
109.03957	1.6
111.05518	1.0
112.03916	0.9
113.02303	0.6
113.03420	0.4
116.01608	0.8
120.01106	0.4
123.05523	1.1
124.03924	0.6
125.02325	2.5
125.03456	1.0
127.05006	1.4
128.03421	25.6
129.03789	0.6
129.99503	0.4
130.82831	0.4
135.05521	3.4
137.07109	0.5
141.06580	1.6
143.04523	30.4
144.04892	0.6
145.06085	1.6
146.04477	3.3
149.07036	0.5
153.06544	1.8
155.08154	0.4
160.00642	9.1
160.83205	0.4
161.59489	0.4
163.11205	0.5
163.63858	0.4
166.09760	1.6
167.03378	0.4
167.04544	2.7
167.08176	1.5
169.01302	2.2
170.03235	0.5
177.01924	0.5
177.03284	2.8
179.04497	6.9
181.06082	1.2
184.10838	0.6
185.05585	1.4
192.07680	0.6
193.12177	0.6
197.05592	0.9
209.11803	1.3
210.08792	7.2
225.14798	0.6
228.09746	0.5
229.39908	0.4
231.04468	0.4
242.07770	1.0
243.02934	0.4
254.07780	8.5
255.08043	0.7
272.08878	15.9
273.09177	1.0
274.27380	0.5
288.06552	6.4
288.34387	0.4
289.18069	1.0
290.18533	0.5
297.11334	1.1
306.07629	100.0
307.07910	5.1
307.19284	1.8
308.19586	0.7
341.23322	4.7
342.23569	1.8
355.07065	0.6
360.52728	0.4
397.13608	0.7
398.13742	0.5
415.14532	0.6
688.35999	0.4
850.85156	0.4
853.04681	0.4
1030.52222	4.3
1031.52539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	40.5
57.03322	12.0
57.99194	7.6
58.00471	9.3
59.01246	86.8
66.88568	1.9
68.99674	2.4
69.62765	12.3
70.57475	1.9
71.01249	68.0
72.01565	2.5
72.99187	9.6
73.02816	100.0
74.03130	3.5
83.01266	9.2
85.99948	2.4
96.35541	2.3
98.19904	4.2
99.00740	2.5
100.99804	61.4
101.02316	65.2
101.13548	1.8
102.00131	2.3
102.02651	3.1
102.05468	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	1012.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02852	0.4
70.40919	0.3
71.01239	0.4
72.00769	0.3
74.02343	9.0
81.04449	0.6
82.02858	1.1
83.02371	0.1
84.04430	0.4
85.03926	0.3
86.02354	3.0
86.05985	0.5
86.98961	0.8
87.05502	1.8
88.03913	0.3
90.00069	1.0
93.04470	0.2
95.02386	0.2
95.06015	0.2
96.04398	0.2
97.03941	1.4
99.05516	7.6
100.00305	0.2
100.05864	0.2
101.07087	1.1
102.05479	1.0
106.45410	0.1
107.06025	0.7
109.03954	1.6
109.07612	0.5
110.02383	0.2
111.05544	0.8
112.03926	0.8
113.03465	0.3
113.07111	0.2
116.01644	0.7
120.01184	0.1
121.03930	0.2
123.05534	1.0
124.03946	0.5
125.02387	1.2
125.03362	0.9
126.01859	0.3
127.05019	1.6
128.03424	24.0
129.03784	0.7
129.99562	0.4
131.04546	0.3
135.05544	2.5
137.07127	0.7
139.01469	0.2
139.04968	0.2
141.06598	1.9
143.04523	30.7
144.01149	0.3
144.04938	0.7
145.06065	1.7
146.04492	2.7
149.07129	0.4
153.06606	2.6
155.08203	0.5
160.00644	9.3
161.00978	0.3
161.02351	0.2
166.09775	1.6
167.03371	0.2
167.04536	2.5
167.08176	1.5
169.01357	0.8
170.03250	0.7
171.04077	0.4
171.07719	0.2
175.02365	0.2
177.01884	0.5
177.03304	3.0
179.04538	7.1
180.04892	0.3
181.06133	0.8
184.10835	0.6
185.05620	1.1
191.26517	0.1
192.07675	0.8
197.05632	1.0
198.08748	0.6
209.11778	1.4
210.08772	7.0
211.09186	0.2
213.03293	0.4
227.12796	0.2
228.09875	0.5
231.04459	0.3
242.07767	0.9
243.02998	0.2
254.07784	8.3
255.08093	0.4
255.85402	0.2
271.02402	0.3
272.08875	12.7
273.09134	0.8
285.04214	0.2
288.06595	5.2
289.06863	0.3
300.02814	0.3
304.06177	0.4
306.07629	100.0
307.07950	5.5
423.07120	0.2
489.10339	0.4
686.98779	0.2
692.18195	0.2
782.42212	0.2
846.64069	0.2
946.64813	0.2
950.45514	0.5
962.41724	0.2
980.42938	0.7
981.41791	0.2
994.44421	0.4
1012.45416	3.3
1013.45557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02801	0.1
77.03838	1.5
79.01760	7.6
79.67503	0.1
83.11492	0.1
86.24824	0.1
92.24233	0.1
93.03328	0.2
95.04883	0.2
97.02825	3.2
98.20571	0.2
99.41013	0.1
100.81110	0.1
101.03816	0.1
107.04871	0.1
108.02030	0.1
109.02837	0.8
110.80939	0.1
111.29170	0.1
115.05412	0.2
117.03294	0.1
117.06911	0.1
119.04894	0.3
121.02840	6.7
122.03677	0.7
125.02348	0.1
127.05380	0.1
130.04106	0.2
134.03583	0.2
135.00777	0.1
137.02335	1.3
138.03149	0.1
139.03874	0.6
141.07025	0.4
143.04912	0.1
145.05334	0.1
145.06497	2.0
146.06769	0.1
147.04414	1.2
149.02345	0.3
150.03119	1.7
155.08539	1.0
157.06451	0.1
159.08032	0.7
163.00229	0.1
165.01834	8.6
165.07028	0.2
166.02299	0.1
169.06476	0.7
171.04422	3.1
172.05209	0.6
177.01810	0.2
178.02643	1.8
179.08583	0.3
181.06506	0.3
181.10144	0.1
182.07220	0.2
183.02930	0.5
183.08069	3.7
184.08411	0.2
185.05925	0.1
186.06657	0.1
191.03406	0.4
196.05208	0.1
197.09660	0.6
197.11615	0.2
199.07565	0.9
201.09111	0.7
207.08127	0.4
209.11743	1.1
210.01627	0.9
210.06787	0.2
211.13431	0.1
223.07509	0.6
225.09158	5.6
226.09496	0.4
227.07072	3.5
227.12823	0.2
228.07458	0.3
241.08662	2.2
242.08963	0.1
251.07016	0.6
253.09221	0.1
267.06750	0.2
269.08170	100.0
270.08505	6.2
309.20834	0.4
597.11261	0.1
646.43237	0.1
689.84851	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	998.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	2.0
69.07060	7.0
74.00682	1.2
76.02219	50.0
76.02657	2.4
76.03995	4.2
79.05484	17.2
80.05011	3.6
81.03410	42.3
81.07050	35.2
82.06538	1.7
83.04976	4.4
83.06094	8.2
83.08612	12.4
84.04488	22.6
85.01115	1.2
85.02900	3.1
85.04053	2.4
85.06535	3.8
86.00648	5.3
86.99039	5.7
87.02704	2.6
88.02216	4.6
91.05466	25.0
92.01691	1.4
93.07040	19.7
94.06571	1.9
95.04958	20.8
95.08593	10.8
96.04491	1.8
97.01105	11.3
97.02891	2.6
97.06523	6.8
97.10158	2.0
99.05577	3.4
99.08114	1.4
102.05532	3.8
105.00065	1.8
105.07002	12.0
106.06542	2.0
107.04957	4.0
107.08579	10.3
109.06508	4.6
109.10145	4.4
111.02647	13.5
111.08090	5.1
112.02206	1.7
113.04260	1.4
114.03768	4.1
116.01670	25.3
117.02820	1.2
117.06993	6.1
119.04997	1.3
119.08569	10.9
120.39155	1.3
121.06513	5.2
121.10119	10.1
123.02650	3.0
123.08092	1.6
123.11724	2.5
125.04240	1.8
125.09620	2.3
129.06885	6.6
130.04993	15.0
131.04515	1.1
131.08551	11.7
133.06474	1.6
133.10109	11.0
135.08073	1.8
135.11679	4.8
136.03963	1.3
137.04199	7.9
137.09659	1.2
139.03914	2.2
141.04794	1.7
142.03189	12.8
142.07765	2.8
143.02660	1.5
144.01149	13.0
145.06096	3.7
145.10135	3.4
147.04292	1.3
147.08017	1.9
147.11671	7.8
149.04242	2.0
149.09601	4.3
149.13231	9.3
151.05806	2.4
151.11157	2.4
153.01781	2.0
153.06581	2.8
155.08463	1.7
157.10092	6.4
159.11722	7.6
160.00751	1.1
161.09521	1.6
162.02182	33.9
163.11235	1.3
165.07301	1.4
170.02725	4.7
173.13225	2.8
174.12517	1.3
175.11205	5.5
177.03226	6.7
177.12706	6.9
179.04839	42.1
181.06113	1.5
185.03876	1.5
187.05388	5.2
187.11259	1.3
189.03358	1.7
193.06425	1.5
193.12236	14.1
194.15320	1.4
195.13864	3.7
204.08577	1.6
207.11978	2.6
215.04880	5.2
217.10408	1.6
218.15405	1.8
224.14676	1.6
224.16614	2.1
226.12683	2.4
229.46237	1.7
233.05855	14.4
235.11566	7.1
245.05965	3.6
252.14120	17.1
253.12601	2.3
267.15891	31.0
267.18500	2.3
269.17416	8.1
270.15201	10.3
276.16138	1.3
291.06519	2.3
298.14731	3.5
301.20047	5.1
306.07370	2.1
308.09070	66.4
309.09512	1.4
326.17502	1.7
327.17319	2.4
343.22760	1.7
344.19046	1.9
355.16849	2.3
359.01511	1.4
417.26239	3.9
427.18738	1.9
429.20621	2.2
435.27322	24.9
443.27853	2.9
447.22153	1.5
461.28955	32.1
462.28943	2.2
493.31464	2.2
502.22452	1.9
536.30524	5.1
554.31360	4.5
564.29999	2.1
576.25513	1.6
597.86200	1.5
621.31903	3.7
639.33026	82.4
640.33173	3.7
657.34119	26.2
658.34180	1.8
671.34924	1.8
693.33862	3.3
711.35059	15.2
750.36285	3.4
768.37299	12.9
769.35870	1.3
786.38300	100.0
787.38159	4.6
800.38458	1.5
818.14520	1.6
818.39185	3.8
828.38361	1.6
948.29224	1.3
948.43585	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	986.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	7.2
69.07067	20.0
70.42999	4.5
70.77881	0.9
71.04981	4.1
71.08601	2.1
73.02891	2.3
73.83269	1.1
79.05486	55.1
81.03409	9.1
81.07047	79.9
83.04531	1.3
83.04961	8.2
83.08599	12.0
85.02892	9.3
85.06531	4.4
88.23847	1.0
91.03945	4.8
91.05467	48.1
93.07034	64.0
95.04966	9.4
95.08595	46.2
95.09216	1.7
95.91825	1.1
97.02870	8.0
97.06514	10.6
97.10155	3.8
99.04435	3.1
99.08056	3.4
101.02369	1.2
103.05445	1.4
105.04490	2.3
105.07022	36.0
107.04944	2.5
107.08582	38.5
109.02856	2.1
109.06512	5.8
109.10134	20.3
111.08092	3.1
113.09651	1.3
115.05424	1.3
117.07003	13.8
119.08565	25.9
121.06483	2.2
121.10135	27.1
123.08047	2.6
123.11667	5.5
125.09613	3.9
127.03896	5.0
129.05496	1.6
129.06999	7.0
131.08551	24.6
133.06494	1.5
133.10110	22.8
135.08054	3.3
135.11678	16.6
137.09601	2.8
137.13240	1.7
139.11165	1.9
143.08565	5.7
145.04878	1.5
145.10106	19.1
147.08076	1.3
147.11676	12.9
149.09607	6.9
149.13242	11.4
151.11148	3.1
155.07167	1.3
155.08543	3.1
157.10123	5.6
159.11662	15.4
161.09618	1.9
161.13229	8.6
163.11174	4.9
163.14787	3.0
165.12646	1.4
167.08380	1.3
169.10056	1.9
171.11644	4.8
173.04474	3.6
173.13222	8.8
175.11160	2.0
175.14822	1.3
177.12740	2.2
179.14278	2.7
181.12204	1.3
183.11676	2.1
185.13280	4.4
187.14798	4.2
189.16330	1.9
195.13783	3.5
197.13252	2.1
199.14824	2.8
201.16386	1.7
215.18044	1.2
215.89285	1.2
217.15912	1.9
219.17363	2.1
227.12811	3.4
229.14346	3.0
229.19614	1.3
235.16959	1.5
239.17921	3.1
243.21033	1.8
255.15918	5.1
257.19000	6.2
259.20587	3.0
261.22122	8.8
267.15939	1.7
269.17447	17.6
275.08054	1.1
275.20044	19.7
277.21634	2.1
291.19473	2.0
293.21115	2.1
309.20563	5.6
315.23581	1.2
317.24670	2.4
331.22665	2.7
333.24524	2.0
335.25757	100.0
336.26141	1.9
343.11182	1.4
349.23761	16.9
351.25424	2.5
367.24661	4.6
374.78485	1.3
413.21484	1.2
489.35364	1.8
515.37177	14.8
529.38837	65.4
530.39423	1.5
533.38403	1.4
569.33569	2.1
569.41937	22.3
609.45068	36.0
610.45300	1.9
627.46228	15.9
673.42462	1.6
771.48651	1.4
777.01392	1.3
986.56622	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	986.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	9.3
69.07059	23.3
70.39648	6.3
70.40041	5.7
71.04980	6.7
74.76646	2.4
79.05489	70.0
81.03407	13.3
81.07051	93.1
83.04984	12.0
83.08620	16.1
85.02888	13.1
91.03927	4.5
91.05473	60.8
93.07037	75.4
95.04942	13.2
95.08598	54.8
97.02877	8.7
97.06516	10.5
97.10158	4.2
98.20843	3.5
99.04447	3.5
99.08092	3.4
105.07024	47.9
107.04940	4.2
107.08585	41.9
109.02930	3.1
109.06515	6.0
109.10153	19.5
111.08070	4.7
115.05414	3.9
117.07008	22.7
119.08572	27.6
121.06477	4.5
121.10138	32.7
123.08022	2.5
123.11694	8.9
125.09608	4.1
127.03917	3.0
129.06999	7.9
131.08559	25.1
133.10123	28.8
135.08113	4.6
135.11705	22.7
137.09598	4.7
139.11084	2.6
143.08554	6.9
145.05013	4.3
145.10129	17.0
147.04451	3.8
147.11681	14.9
149.09648	7.4
149.13245	15.5
151.11139	4.2
155.08517	3.9
157.10117	5.2
159.11708	16.8
161.09552	3.4
161.13306	7.7
163.06071	2.9
163.11195	4.0
163.14835	3.0
169.10019	4.8
171.11717	6.9
173.04436	4.7
173.13222	9.4
175.11299	3.3
175.14815	4.0
177.12703	4.3
185.03072	2.6
185.13284	3.5
187.11273	3.2
187.14786	3.3
199.14807	4.8
229.14302	3.3
239.17964	4.3
245.84003	2.6
255.15938	5.2
257.18982	6.8
261.22095	8.8
269.17468	28.6
275.19955	19.0
309.20532	10.4
317.24838	4.6
324.78333	3.2
335.25781	100.0
349.23715	26.2
367.24838	3.7
446.79605	2.4
515.37427	16.2
529.38867	72.6
569.41937	28.0
609.45111	40.9
627.46045	10.3
673.42651	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	975.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	2.6
69.03424	1.2
70.23851	2.6
73.02924	1.5
83.90669	0.6
85.02898	5.6
87.30898	0.5
91.03963	3.5
91.05479	0.7
97.02892	2.8
107.04941	0.8
111.00815	1.2
115.03947	0.6
119.04977	0.7
121.02866	0.8
123.04383	0.7
127.03918	2.4
135.04427	0.6
137.02361	1.2
139.03905	0.7
145.04890	0.9
149.02357	0.8
153.01816	56.0
163.03891	7.6
165.01831	1.1
171.02922	1.3
175.03918	0.7
177.01797	0.8
179.03383	3.8
187.03755	0.8
189.01854	0.6
191.03383	18.7
192.04118	1.7
193.01387	0.6
193.05032	1.2
195.02925	1.4
202.02615	0.9
203.03349	4.3
205.01343	0.6
207.02963	1.2
215.03452	1.7
219.02867	11.1
220.03647	3.0
221.04393	5.0
227.03499	1.0
229.05002	1.0
230.02248	0.8
231.02881	20.2
232.03596	1.9
235.02324	0.6
243.03000	1.3
245.04512	1.4
247.02362	13.4
248.03146	1.3
249.04001	1.6
253.05064	1.1
255.02867	1.4
257.04553	1.3
259.02304	3.9
260.03220	0.6
261.03952	0.6
265.05087	0.8
267.02829	0.9
269.04510	1.0
271.02435	2.0
273.03928	0.7
275.02017	0.6
276.02924	0.7
277.03265	0.7
279.06445	0.6
281.04514	1.1
282.05319	0.8
283.02560	2.1
285.03900	2.1
287.02039	0.8
287.05493	0.9
289.03351	0.6
293.04446	0.9
294.03485	0.6
295.02795	1.0
295.06033	1.3
297.03967	1.0
299.01828	1.1
301.03519	1.7
302.04077	0.8
305.04340	1.1
309.00366	0.6
309.04025	1.6
311.01907	1.3
312.02390	0.6
313.03476	4.4
315.01422	1.3
315.05637	0.5
319.04840	1.2
321.03900	2.4
323.02014	1.2
323.05563	1.9
325.03641	1.0
327.05051	0.7
329.02911	20.8
330.03641	0.8
331.04340	1.0
333.04102	1.0
335.05539	0.7
337.03571	1.9
338.03903	0.8
339.01517	0.7
339.05118	0.7
341.03052	1.2
343.04489	0.9
345.02618	0.8
349.03500	1.9
351.04886	2.8
353.02994	2.1
359.04004	5.2
361.03503	1.8
363.04956	1.0
364.02234	0.8
365.02887	6.8
366.03687	2.1
367.04706	1.3
369.02505	2.9
373.03577	0.8
377.02817	3.8
379.00461	1.2
379.04602	4.6
381.02429	1.3
383.04361	0.9
385.01779	1.4
389.02582	1.4
391.04285	2.6
393.02325	4.1
394.03122	8.6
395.03909	2.2
405.02310	2.8
407.03955	5.1
417.02338	1.4
419.04126	1.5
421.01620	1.0
433.02304	1.3
435.03482	4.4
445.01215	0.7
447.03394	2.6
451.03363	1.1
453.04407	0.8
457.05814	1.0
461.01245	2.8
463.03073	1.1
469.05579	0.9
485.04865	1.7
497.05280	1.0
503.06464	0.8
513.04712	2.0
515.05975	0.8
525.04706	1.3
531.05286	1.7
541.03931	2.1
543.05774	2.3
553.03864	0.6
559.05103	1.7
569.03662	2.1
571.05286	4.6
587.04565	26.3
588.04504	1.2
589.06055	2.5
597.02930	3.2
605.05402	1.9
607.07147	3.4
615.04010	52.4
616.04376	1.4
633.05066	100.0
634.05646	2.9
651.06104	30.3
652.06085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	40.7
69.03415	8.2
69.07057	20.2
69.57753	7.0
71.04971	3.1
71.08623	25.6
73.02905	2.6
79.05483	29.6
81.03403	9.8
81.07045	59.1
83.04978	7.7
83.08607	19.4
85.02895	10.9
85.06528	2.4
85.10168	16.4
89.06010	1.5
91.03941	4.6
91.05466	26.8
92.05792	0.9
93.06432	1.1
93.07032	34.6
95.04965	7.3
95.08595	37.7
97.02379	0.7
97.02885	6.9
97.06514	10.4
97.10161	8.5
98.11206	0.8
98.21407	1.6
98.56097	0.8
99.04443	2.0
99.08059	2.8
99.11683	1.0
101.02386	0.9
101.05969	0.7
102.37570	0.8
103.07605	1.1
105.07011	21.4
105.07710	1.0
107.04961	4.9
107.08578	20.6
109.02882	3.9
109.06512	5.6
109.10136	15.0
110.10426	0.8
111.04453	1.6
111.08072	3.4
111.11678	1.7
111.51729	0.7
113.05970	1.0
113.13274	0.7
115.05421	1.3
117.07005	13.5
119.07740	1.2
119.08556	17.3
121.06487	2.7
121.10135	13.7
121.22548	0.7
123.08041	2.2
123.11699	6.5
125.09609	3.4
127.03896	5.0
128.06201	1.2
129.05487	1.3
129.07002	4.2
131.08546	12.6
133.06447	1.1
133.10117	14.4
135.08029	4.7
135.11682	11.5
137.09598	1.3
137.13220	2.0
139.11211	1.3
141.06989	1.5
142.07727	0.9
143.08563	2.4
145.04927	3.0
145.10114	11.6
147.07961	1.1
147.11685	8.2
149.09595	8.3
149.13252	6.6
151.11185	1.3
155.08488	2.1
157.10117	4.3
159.08052	1.2
159.11667	9.5
161.13214	2.5
163.05960	2.3
163.11156	5.7
165.12735	1.5
169.10159	1.9
171.11667	2.9
173.04416	3.2
173.13264	4.7
174.95355	0.7
175.11134	0.9
177.12721	2.9
181.12202	1.4
183.11617	1.4
185.13223	2.8
187.11113	0.8
189.11227	1.5
195.13771	4.7
197.13190	1.1
199.14885	1.7
203.14198	1.2
217.15935	3.2
219.17453	1.5
227.12694	3.6
229.14297	1.4
229.19420	1.3
235.16965	1.3
239.17908	3.3
239.23643	4.5
247.20523	1.7
255.15901	14.3
257.19025	9.1
257.24677	1.4
259.20328	0.8
261.14911	0.9
267.15878	1.8
269.17435	32.6
270.17868	1.1
275.16821	1.3
275.20020	25.1
291.19525	2.4
293.17480	1.2
293.21021	3.0
309.20541	5.6
311.25601	1.6
313.27322	100.0
314.27646	3.3
321.24179	1.1
331.22784	3.5
349.23697	27.3
350.24039	1.0
367.24515	3.7
383.28091	0.9
402.65381	0.8
409.33264	0.9
413.21649	2.7
419.23996	0.9
467.37125	2.8
483.36423	1.2
491.41138	1.1
493.27832	1.2
493.38867	19.6
494.38892	1.0
507.40396	85.5
508.40747	5.3
523.40375	1.0
547.43500	19.5
548.43951	1.1
587.46661	38.8
588.46686	2.3
605.47717	11.8
627.40088	0.9
651.44427	2.7
731.50409	1.2
749.52240	2.1
992.88141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	49.0
69.03421	6.8
69.06746	1.6
69.07065	18.4
71.04971	5.1
71.45563	2.7
73.02886	2.6
77.03911	1.4
79.05486	37.3
81.03410	65.4
81.07049	49.7
83.04981	10.8
83.08613	20.0
85.02899	7.0
85.06518	3.5
91.03978	1.4
91.04929	2.6
91.05470	37.3
93.07035	38.0
95.04350	1.3
95.04957	25.0
95.08601	22.2
97.02872	5.4
97.06527	9.7
97.10171	9.7
99.04432	1.9
99.08075	2.6
104.53867	1.3
105.07023	31.1
107.04948	10.7
107.08585	24.6
109.02831	1.9
109.06526	8.1
109.10148	14.4
110.49130	1.1
111.04437	3.8
111.08057	9.6
115.05412	2.9
117.06998	15.1
119.04882	2.0
119.08564	25.2
121.06476	7.4
121.10106	16.5
123.04390	1.3
123.08054	4.5
123.11681	4.3
125.09621	7.5
127.03889	3.2
128.06213	3.0
129.06989	11.3
131.08557	20.4
133.06435	4.9
133.10121	20.2
135.08049	5.4
135.11655	10.1
137.09612	4.8
141.06926	3.2
142.07777	2.0
143.08528	7.0
145.06438	3.2
145.10100	12.1
147.04420	2.6
147.08047	6.3
147.11671	12.3
149.09633	10.4
149.13271	7.1
151.07541	1.5
151.11142	1.8
155.08501	3.1
157.06488	1.7
157.10133	9.1
159.08049	3.2
159.11685	10.2
161.09598	4.5
161.13272	2.7
163.09979	1.4
163.11183	7.3
165.12727	3.5
169.10121	3.6
171.08080	1.7
171.11615	3.2
173.04448	1.5
173.09529	1.9
173.13254	4.8
175.11229	8.4
177.12733	4.2
181.12148	1.9
183.11737	1.5
185.13216	3.2
187.11037	2.0
187.14804	1.6
189.11206	4.1
189.12708	1.6
193.12218	16.4
195.11685	2.0
195.13742	3.1
197.13277	2.4
199.14822	1.6
200.67982	1.3
201.12564	1.4
211.13222	3.2
217.15726	2.2
223.13167	1.5
227.12740	5.7
229.14287	3.0
249.14745	3.3
255.15988	8.0
257.18942	3.5
259.13104	1.7
267.15897	58.4
268.16174	2.1
269.17435	20.9
273.14969	1.7
273.18637	1.6
275.20090	11.1
291.19449	2.3
293.21231	1.6
299.20010	1.7
301.14371	3.4
309.16885	2.1
319.15457	1.7
349.23798	14.2
365.34531	1.3
367.24826	3.9
369.24112	3.9
387.25189	2.5
421.25818	6.0
423.27487	1.5
435.27213	3.2
443.27777	8.1
447.27365	25.1
449.30115	2.0
461.28961	100.0
462.29129	3.9
467.31500	2.7
475.30389	1.7
477.28378	2.2
479.29965	2.1
485.33005	1.4
492.82147	1.5
493.31482	11.1
501.32095	4.4
503.29874	3.1
523.33740	3.0
541.35248	41.4
542.35046	1.8
551.30988	1.6
559.27960	2.4
559.36151	19.5
569.31055	3.1
573.38245	2.2
587.31964	4.4
591.38544	2.6
605.32806	4.0
667.38226	1.7
703.40717	1.9
796.10468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04809	1.7
67.05191	3.9
67.05502	17.6
69.03422	6.0
69.07063	15.2
69.39459	9.1
70.49060	0.8
71.04955	1.7
71.08625	10.2
73.02886	1.0
79.05486	14.8
81.03413	4.0
81.07049	17.5
83.04976	1.9
83.08617	10.0
85.02892	4.5
85.10172	8.0
89.28993	0.8
91.05474	10.0
93.07044	9.3
95.04958	4.5
95.08607	13.1
97.02892	9.0
97.06519	1.0
97.10173	10.4
97.44524	0.8
105.07015	7.7
107.04946	4.7
107.08579	4.9
109.06505	2.0
109.10136	6.9
117.06977	5.3
119.08587	5.5
121.06494	1.9
121.10118	2.0
123.08067	2.7
123.11694	1.5
125.09620	5.0
129.06990	1.9
131.08540	5.2
133.06487	2.2
133.10107	1.8
135.08018	1.6
135.11681	1.2
142.07697	1.2
143.08528	2.4
145.10114	1.9
147.08047	4.7
147.11702	1.2
149.13257	1.2
152.95277	0.9
159.11771	2.0
161.09604	1.2
165.09142	1.5
175.11136	1.0
177.12737	1.0
189.11182	1.9
193.12337	0.9
205.12196	2.0
223.13280	12.0
225.73329	0.9
227.12770	2.4
239.23621	1.9
249.14859	2.2
255.17496	1.2
273.18460	9.0
281.40439	0.9
291.19528	67.8
313.27350	65.9
347.22128	2.4
365.23199	62.6
375.59686	1.0
523.39886	5.0
585.44928	3.2
603.46173	100.0
604.46222	3.5
919.85956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04787	1.9
67.05189	4.2
67.05502	16.6
69.03414	4.3
69.07059	15.7
69.39561	6.8
69.39972	1.5
71.04965	1.0
71.08259	1.2
71.08626	14.7
72.49382	0.8
73.02940	1.0
75.65585	0.8
79.05482	10.0
81.03397	3.9
81.06572	0.8
81.07047	15.9
83.04971	1.5
83.08614	9.3
85.02885	3.7
85.06549	1.5
85.10180	9.9
89.06016	1.2
91.03934	1.7
91.05479	6.4
93.07049	8.3
95.04962	4.5
95.08601	14.9
97.02881	7.2
97.06525	1.4
97.10168	9.5
105.07021	5.6
106.10143	0.8
107.04958	4.5
107.08595	6.4
109.06505	2.9
109.10145	8.0
111.04403	1.0
115.05386	1.1
117.07014	2.7
119.08574	5.5
121.06471	1.9
121.10126	3.0
123.08066	2.3
123.11682	2.5
125.09601	4.5
126.71839	0.7
128.06120	0.8
129.07022	1.8
131.08568	3.9
131.09370	0.8
133.06477	1.6
133.10135	2.5
135.08029	2.0
135.11636	1.3
137.09598	1.0
143.08546	1.5
145.04982	1.0
145.10130	2.6
147.08029	3.2
147.11676	1.7
149.13251	1.3
152.02399	0.7
153.51358	0.8
157.10123	1.4
159.11740	1.0
161.09590	2.1
163.11234	1.2
173.13242	1.0
175.11221	1.5
177.12717	1.3
189.11162	1.6
211.13431	0.9
223.13284	11.5
227.12706	2.7
239.23810	1.5
249.14856	2.1
257.24545	0.9
273.18484	8.2
282.49146	0.8
291.19516	59.4
292.19818	0.9
292.56686	0.8
313.27338	67.3
314.27710	0.9
347.22198	1.2
365.23218	37.2
483.36768	2.0
523.40106	4.1
585.45062	2.9
603.46149	100.0
604.46271	3.0
933.07562	0.9
982.48669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6194
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	32.1
69.03420	5.5
69.07062	19.3
70.20996	4.1
71.01363	0.9
71.04967	2.6
71.08256	1.9
71.08624	24.4
73.02883	2.0
79.05483	27.5
81.03412	7.6
81.07047	42.1
83.04971	6.1
83.08610	15.3
84.77150	0.9
85.02889	9.1
85.06503	2.6
85.10166	14.2
89.06013	1.3
91.03926	4.1
91.05467	19.8
93.07034	23.0
95.04961	7.9
95.08593	33.0
97.02870	9.1
97.06537	7.2
97.10152	8.2
98.00110	1.1
99.04414	1.8
99.08083	2.0
103.07533	1.4
105.07009	20.0
107.04942	5.4
107.07913	1.8
107.08581	18.7
109.02863	1.8
109.06499	3.4
109.10142	17.0
111.08054	2.2
115.05409	1.0
117.07015	9.4
119.08572	12.4
121.06474	2.4
121.10154	8.6
123.08046	1.6
123.11713	4.8
125.09631	5.4
127.03886	3.0
129.05486	1.6
129.06995	4.1
131.08560	9.6
133.10121	9.0
135.08035	2.8
135.11702	6.4
137.09590	2.6
137.13213	2.3
139.60410	0.9
141.06914	1.6
143.08574	3.0
145.04942	1.8
145.10089	8.9
147.11653	6.9
149.09619	6.2
149.13243	4.3
155.08601	1.4
157.10106	3.5
159.11668	8.2
161.09631	1.4
161.13264	2.6
163.06042	1.1
163.11153	4.2
169.10107	2.0
171.11699	2.1
173.04457	2.1
173.09521	1.0
173.13217	3.3
177.12697	1.9
179.14299	1.9
185.13266	1.4
189.11188	3.1
189.16283	1.2
195.13751	2.4
217.15855	1.8
227.12762	9.9
229.14293	2.6
229.19585	2.3
239.17902	3.0
239.23665	3.4
255.15875	2.7
257.18991	8.8
257.24634	2.1
269.17453	10.5
275.20053	17.8
291.19470	1.3
293.21008	2.9
295.44586	1.1
309.20587	2.0
313.27338	100.0
314.27859	2.0
331.22672	3.9
339.17789	1.2
349.23697	22.3
367.24692	2.7
382.92789	0.9
413.21793	1.6
437.90500	1.1
467.37012	3.1
483.36932	2.0
491.40802	1.9
493.38892	13.6
507.40387	56.9
508.40408	1.3
547.43671	11.0
569.45587	1.6
587.46606	42.2
588.47058	1.9
605.47601	9.8
627.41534	1.5
651.44305	2.1
858.57312	1.2
938.26025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	69.4
69.03430	4.2
69.07060	15.8
69.53867	6.1
69.54283	1.9
71.04975	2.1
73.02914	3.8
79.05487	40.2
79.20063	0.8
79.69732	0.7
81.03423	2.3
81.07047	73.1
83.04974	3.0
83.08612	7.4
85.02895	17.8
85.06524	1.4
91.03951	13.2
91.05471	28.5
93.07035	53.6
95.04952	6.0
95.08597	56.8
97.02889	11.2
97.06509	4.1
97.10130	4.6
98.20752	2.0
99.04465	1.1
105.06358	1.4
105.07021	22.0
107.08581	29.0
109.06509	2.3
109.10146	24.6
111.08072	1.6
115.03928	0.7
117.07015	8.4
119.08565	18.5
121.10127	25.7
123.08068	1.6
123.11702	8.3
127.03902	4.3
129.07021	3.4
131.08559	13.6
133.10112	16.3
135.11678	19.2
137.09663	1.1
137.13263	3.4
139.11179	1.4
143.08574	3.3
145.04932	5.2
145.10100	12.2
147.11668	11.4
149.09584	1.2
149.13246	9.0
155.08569	0.9
157.10118	1.6
159.11678	9.6
161.13223	8.4
162.68973	0.9
163.06006	8.3
163.14767	4.8
169.10071	1.0
171.11722	2.8
173.13235	7.5
175.14847	4.4
177.16351	2.5
185.13219	2.7
187.14769	5.5
189.16425	2.0
191.14508	0.9
199.14845	1.6
201.16302	2.6
201.74930	0.9
203.17876	1.1
231.21124	1.4
241.19617	5.3
243.21028	7.1
253.17876	1.0
259.20612	10.0
261.22131	20.6
263.23669	1.7
268.91876	1.0
275.23477	1.1
299.23831	1.5
317.24680	2.3
323.59833	0.9
327.26700	1.1
333.24188	8.1
335.25769	100.0
336.26144	3.4
337.27316	12.9
406.57373	0.8
407.86710	0.9
429.69812	1.0
521.43402	3.7
529.38385	1.2
539.44434	2.0
543.40332	1.2
595.47192	18.8
596.47156	1.4
613.48157	22.2
729.73853	1.0
954.58044	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	956.6297
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	68.7
69.03410	2.6
69.07066	27.8
69.57459	17.0
72.49841	2.0
73.02892	5.2
79.05487	38.3
81.06564	3.8
81.07050	74.2
83.04969	3.5
83.08619	14.0
85.02909	21.6
85.06515	3.2
91.03941	13.8
91.05471	22.7
93.07037	46.4
95.04928	5.3
95.08595	63.2
97.02879	11.1
97.06480	4.2
97.10175	4.9
105.07017	19.3
107.08584	23.0
109.10151	26.3
111.08029	2.8
117.07007	6.2
119.08569	16.4
121.10139	19.5
123.11694	9.3
127.03925	6.4
131.08517	11.7
133.10127	15.0
135.11649	13.9
137.09642	1.9
137.13246	4.0
144.42497	2.3
145.04968	8.2
145.10086	9.5
147.11662	9.9
149.13271	8.4
159.11664	7.3
161.13309	11.3
163.06027	9.7
163.14838	6.7
173.13255	6.2
175.14827	4.3
177.16362	2.6
187.14833	3.6
224.85867	2.1
241.19569	2.5
243.21043	3.8
251.83595	2.3
259.20529	7.5
261.22134	21.1
263.23746	6.9
317.24792	3.6
333.24176	5.9
335.25769	83.2
337.27335	100.0
339.28940	9.6
523.44458	5.3
541.45947	2.6
597.39929	3.6
597.48743	50.9
615.49847	51.2
813.64050	2.2
829.54266	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	953.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77930	24.1
69.78340	64.5
71.66505	9.5
98.97573	18.7
101.03394	9.2
116.98582	14.8
123.04441	13.8
127.03886	55.6
139.03879	100.0
151.03900	38.6
153.01884	52.9
162.69154	9.9
163.03966	15.2
163.09763	9.5
179.03362	30.1
181.16989	11.8
201.00679	26.3
203.03410	17.0
212.96129	15.2
245.04594	33.0
257.04379	25.7
261.02805	18.3
263.05447	27.5
268.01111	10.5
287.05597	75.1
299.05493	26.1
425.08575	21.2
443.09412	12.9
551.09088	17.6
559.09326	13.6
611.04889	21.4
953.11926	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01852	1.6
68.99786	4.6
69.03436	10.4
70.95045	3.1
70.95434	1.8
71.01342	2.5
71.04990	91.1
73.02923	9.4
75.04463	3.5
76.39072	1.2
79.01859	1.8
81.03397	3.5
83.04978	19.2
85.02901	100.0
87.04455	4.3
88.41329	1.1
95.04969	6.2
97.02870	1.3
99.04457	6.2
109.02847	2.2
111.00787	1.4
111.04429	15.7
111.71865	1.0
113.02306	1.1
113.06007	2.1
117.05485	8.5
121.02917	2.7
121.06484	1.1
123.04387	1.6
127.03879	3.6
129.05478	25.9
129.34662	1.1
135.04440	2.0
137.02380	2.6
139.03918	3.3
147.06506	5.4
148.50833	1.2
149.02338	1.7
151.03899	2.5
153.01825	77.2
153.05457	2.8
154.02155	2.1
157.04861	1.4
161.53989	1.2
163.03911	13.4
163.06006	5.1
165.01859	3.4
167.03430	1.5
171.02835	1.7
171.04301	1.6
171.06538	2.2
177.01833	7.0
179.03392	4.0
183.02948	2.5
189.01950	1.6
191.03391	25.0
192.04124	1.7
193.01462	1.3
195.02867	5.3
199.03917	2.2
201.07576	1.8
202.02516	1.8
203.03450	7.8
207.02953	3.5
213.07558	1.8
215.03384	3.5
217.04979	2.4
219.02898	16.9
220.03601	7.4
221.04420	6.4
227.03352	2.5
228.03969	1.3
229.04790	2.6
231.02846	24.6
232.03622	2.7
233.04414	2.3
239.09062	4.4
243.02858	5.4
244.03537	1.4
245.04497	5.3
247.02379	18.1
248.02977	1.8
255.02895	4.1
257.04337	2.7
259.02408	5.2
261.03986	2.9
263.05579	2.2
267.02948	1.8
269.04398	2.7
271.02365	4.7
273.03940	2.2
281.04483	2.6
283.02328	3.8
285.03943	4.4
287.05508	5.4
293.04346	2.1
294.03760	1.5
295.06000	3.4
297.03943	3.1
299.01868	2.0
301.03494	1.7
305.04279	2.3
309.03751	2.8
311.01846	1.7
313.03534	7.1
313.06760	1.9
319.04575	1.7
321.03827	3.6
323.01807	2.1
323.05521	3.9
329.02902	21.0
329.06522	2.4
330.03601	1.4
333.03906	2.2
335.05423	2.6
337.03342	4.2
338.04150	1.6
339.04962	2.3
343.04462	2.2
349.03409	3.7
350.04019	1.7
351.04865	3.8
353.02863	4.5
355.00369	1.5
357.02527	1.6
358.03076	1.8
359.04062	7.4
361.03220	2.8
363.04953	2.3
365.02945	6.3
366.03732	2.2
367.04437	3.1
369.02353	6.4
372.04822	1.4
377.02789	4.7
379.04709	8.1
389.02905	3.5
391.04437	3.2
393.02200	6.6
394.03177	9.7
395.04050	5.0
403.04254	2.7
405.02411	4.1
407.03842	8.8
417.02145	2.1
419.03934	2.8
421.01459	2.0
425.04794	3.4
433.01721	2.9
435.03467	6.5
447.03705	1.5
451.02542	2.5
453.03976	1.6
459.02936	1.7
461.01068	4.0
481.04160	1.5
501.04413	1.5
513.04156	2.8
525.04858	1.5
541.03674	3.4
543.05939	1.3
553.04468	1.5
559.05017	1.8
569.03308	2.2
571.05042	6.3
587.04535	19.6
588.04333	1.6
589.05939	4.9
597.02911	2.8
607.06836	4.5
611.04401	4.8
613.05939	3.3
615.04065	43.4
616.03906	1.5
629.05011	3.3
633.05090	93.0
634.05048	5.6
639.03955	5.6
645.05273	10.0
651.06152	43.6
652.06445	2.8
656.95245	1.6
657.05133	19.6
663.05652	5.5
675.06274	11.5
681.05255	4.6
693.06982	7.1
697.08398	1.3
699.06097	15.2
707.06146	3.6
717.07147	5.7
725.08051	13.6
743.08673	10.7
761.08929	5.4
779.11200	3.6
932.27759	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.9
66.77460	0.7
68.99783	7.3
71.08894	1.6
79.01830	2.2
85.02902	0.8
86.80499	0.6
89.03914	3.5
94.20133	0.7
97.02872	1.0
98.20811	0.7
107.01291	0.8
111.00797	4.5
117.03360	6.7
121.02862	1.1
123.04383	4.2
125.02335	2.1
127.03867	2.9
129.49431	0.6
131.04948	1.1
133.02855	1.3
135.04347	1.5
137.05959	1.0
139.03885	40.3
141.06927	0.8
143.03381	5.1
145.02824	13.8
145.06415	1.0
147.04398	2.2
149.02348	2.2
149.05951	3.2
151.03896	11.5
153.01813	67.7
154.02194	1.1
157.06447	1.3
159.04370	1.3
161.05978	1.1
163.03860	5.3
167.04881	0.8
167.06982	0.7
169.06442	1.1
171.04353	3.3
173.05992	2.1
175.03903	5.7
177.01819	2.1
177.03964	1.4
177.05444	21.6
179.03380	5.9
185.05983	2.5
187.03975	1.1
189.05431	2.7
191.03255	1.2
193.05014	1.3
197.06052	1.6
199.03889	11.5
201.05383	4.5
203.03368	10.5
205.01308	0.6
205.04971	3.9
209.07864	0.7
211.03868	1.2
213.05446	6.2
217.04906	6.1
219.06526	5.6
223.02313	1.9
225.05505	2.0
227.03346	2.5
229.04877	2.2
231.06494	2.6
241.04944	4.8
243.06616	1.4
245.04419	13.4
253.05020	1.6
257.04428	5.6
259.06018	3.1
263.05478	6.2
269.04440	4.4
271.05991	4.1
275.05481	2.7
287.05469	100.0
288.05774	2.1
289.06915	6.1
299.05469	26.0
300.05804	2.0
303.04825	3.5
305.06711	1.1
311.05240	1.5
313.03372	0.7
314.80237	0.8
317.06497	1.0
331.04465	3.1
337.84708	0.7
407.07544	1.7
425.08594	19.3
449.08768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.7
67.05489	0.1
67.16534	0.1
68.99783	5.8
69.54511	0.1
70.14144	0.2
70.14500	0.5
73.08964	0.1
76.51698	0.1
79.01847	1.4
79.05477	0.3
81.03395	0.2
89.03908	1.0
91.05472	0.2
93.03428	0.1
93.07024	0.1
95.01341	0.1
95.04948	0.2
97.02878	0.4
103.05451	0.2
105.03388	0.2
107.01286	0.4
107.04946	0.4
109.02850	0.4
111.00795	4.3
111.04450	0.2
115.05428	0.4
117.03374	2.1
117.07005	0.2
119.04921	0.3
121.02850	1.1
121.06487	0.2
123.04420	1.3
125.02338	1.3
127.03904	1.7
129.06960	0.4
131.04938	0.5
133.02831	0.9
133.06454	0.3
134.03648	0.3
135.00766	0.9
135.04413	0.6
137.02301	0.1
137.05949	0.3
139.03886	29.0
140.04195	0.2
141.06989	0.4
143.03389	2.8
143.04906	0.3
144.36327	0.1
145.02827	4.3
145.06485	0.8
147.04385	1.6
149.02335	1.6
149.05965	0.9
150.03105	0.2
151.03894	4.3
153.01813	35.8
153.02765	1.4
154.02170	0.4
155.04912	0.2
157.02882	0.3
157.06450	1.0
159.04384	0.8
161.02263	0.1
161.05928	0.8
162.03191	0.2
163.03888	5.7
165.01944	0.1
165.05470	0.1
167.03372	0.1
167.07013	0.1
169.06445	0.4
171.04390	4.6
173.02373	0.2
173.05971	2.3
174.06303	0.1
175.03891	3.2
175.05423	0.2
177.01976	0.6
177.05452	6.8
179.03378	6.6
179.06946	0.3
181.05009	0.2
181.06467	0.8
183.04437	0.5
185.05962	2.1
186.05418	0.2
187.03888	0.5
189.05444	2.0
191.03369	0.5
191.06989	0.5
193.04947	0.4
195.04382	0.2
197.05981	1.0
199.03883	11.1
200.04344	0.2
201.05440	4.3
203.03372	5.8
203.06961	0.3
205.04919	1.9
209.06006	0.7
211.03850	0.3
213.05452	6.3
214.05984	0.1
215.03387	0.5
215.06914	0.2
217.04945	7.2
218.05617	0.4
219.03172	0.2
219.06499	5.0
221.06075	0.2
223.02263	0.4
223.04173	0.7
225.05412	0.5
227.03383	3.3
227.06798	0.2
229.04898	1.3
231.02859	0.2
231.06477	1.6
233.04407	0.2
237.05437	2.4
238.05885	0.1
239.03221	0.1
240.04062	0.1
241.04936	5.1
242.05659	0.4
243.06540	0.4
245.04428	13.1
246.04776	0.3
247.02090	0.1
247.06125	0.2
251.03358	0.3
253.04933	0.7
254.67905	0.1
255.06450	0.7
257.04434	1.7
259.05972	2.2
263.05469	7.6
265.04944	1.6
269.04431	5.8
269.06613	0.1
270.04953	0.3
271.05988	1.2
273.03918	0.3
275.05368	0.8
281.04364	0.4
282.05188	0.2
283.05969	1.4
285.03928	0.3
286.04688	0.2
287.05469	100.0
288.05814	1.9
289.07068	2.3
293.04462	0.7
295.06091	0.3
297.03912	0.1
297.07318	0.2
299.02832	0.1
299.05466	4.4
301.06927	0.5
303.04974	1.6
305.06656	0.6
311.05469	9.2
312.05954	0.2
313.06934	0.8
317.06461	0.4
323.05563	0.2
329.07187	0.1
331.04456	2.5
331.07919	0.2
333.07736	0.1
355.04868	0.1
375.08618	0.1
395.07385	0.1
403.08121	0.1
407.07651	0.9
419.07700	0.2
425.08621	3.9
431.07483	0.3
437.08701	2.6
438.09152	0.1
443.09674	0.1
449.08655	2.8
457.07275	0.2
467.09644	0.2
557.10681	0.1
575.11688	1.3
592.93347	0.1
745.12360	0.1
794.37500	0.1
925.67499	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	938.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.3
67.05499	24.3
69.07061	6.9
71.04979	0.9
73.97715	0.5
79.05488	12.8
81.07049	27.1
83.04987	0.4
83.08620	4.6
85.06527	0.6
91.05472	19.4
93.07039	15.0
95.04964	1.2
95.08598	23.5
97.06513	3.3
97.10153	2.2
98.20666	0.8
99.08089	0.5
105.07018	4.7
107.08591	6.9
109.10143	9.9
111.08081	3.1
117.07014	1.1
119.04931	25.2
119.08575	3.4
121.10136	10.9
123.11727	3.3
125.09650	0.6
131.08565	2.3
133.10109	7.0
135.11685	6.0
137.09583	1.4
139.11179	0.6
145.10161	2.6
147.04398	100.0
147.11716	2.0
148.04736	1.2
149.13251	2.2
151.11150	1.3
159.11694	1.2
161.13203	0.6
165.05466	1.3
173.13242	0.9
187.14879	0.4
195.13925	0.5
215.17944	2.8
221.07962	0.6
233.18964	2.8
249.75957	0.5
251.20010	3.4
280.63144	0.4
289.21667	0.5
303.20703	0.4
303.70435	0.4
305.20981	0.5
307.22629	8.0
309.24329	0.5
323.22311	1.1
325.23703	30.1
326.24182	0.9
367.59354	0.5
369.03662	0.4
397.23920	0.5
453.26379	1.8
471.27432	13.5
489.28525	3.7
539.41028	0.8
557.42017	12.4
558.42700	0.7
575.43030	42.7
576.43250	2.1
590.00421	0.5
593.43768	1.1
635.31616	0.5
703.46204	0.5
739.47754	6.1
903.51563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.0
67.05498	22.1
68.05828	0.3
69.03413	0.3
69.06709	0.4
69.07063	6.4
71.04971	0.5
71.62231	0.4
73.90615	0.2
79.05485	10.7
81.07047	23.7
83.04959	0.6
83.08115	0.3
83.08609	5.2
85.06517	0.9
91.05469	16.7
92.05800	0.3
93.07037	12.9
95.04981	1.2
95.08595	21.9
97.06521	2.7
97.10155	2.0
99.08076	0.5
105.07021	3.9
105.84410	0.2
107.08580	8.2
109.06493	0.5
109.10142	9.2
110.58492	0.2
111.08064	1.7
113.04218	0.2
117.06993	1.3
119.04928	22.4
119.08565	3.7
120.05224	0.2
121.10129	10.1
123.08027	0.6
123.11705	3.3
125.09599	0.6
131.08559	3.3
133.10115	5.7
133.10849	0.1
135.11685	5.5
137.09573	1.1
137.13203	0.4
139.11143	0.4
145.10114	2.3
147.04393	100.0
147.11687	2.5
148.04681	1.1
149.13249	1.9
151.11153	1.5
159.11671	1.2
161.13208	0.4
163.14818	0.2
165.05460	1.8
165.12627	0.2
173.13205	1.0
177.12753	0.2
186.75165	0.2
187.14781	0.3
205.19411	0.3
207.27657	0.2
213.16431	0.3
215.17921	1.9
221.08060	0.3
231.17355	0.4
233.18980	1.9
237.60857	0.2
251.20082	2.4
289.21564	0.3
300.13007	0.2
305.20959	0.5
307.17465	0.3
307.22647	6.8
309.24356	0.5
323.18726	0.2
323.22165	1.4
325.23700	24.0
326.24075	0.6
385.01236	0.2
441.81689	0.2
453.26340	0.8
471.27390	13.1
472.27771	0.2
489.28366	2.4
539.40967	0.8
557.41974	8.7
558.42212	0.4
575.43011	36.8
576.43256	1.9
593.43976	0.8
605.67273	0.2
635.32379	0.3
721.46521	0.6
739.47626	4.4
740.47485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99777	0.6
69.03420	1.4
69.16163	0.3
79.01851	8.5
81.03406	4.2
85.02895	1.2
91.05479	0.5
97.02892	2.0
99.04452	1.1
103.05459	0.6
107.01305	2.0
109.02847	0.7
109.61767	0.3
115.05466	0.5
119.04937	0.6
125.02355	5.5
127.03917	1.0
131.04906	0.9
133.06534	0.4
133.89427	0.4
139.03905	1.6
143.03389	9.9
147.04370	0.6
151.03865	0.4
153.01817	100.0
153.02754	4.3
154.02164	1.2
155.04959	0.4
157.02841	1.3
159.04420	0.8
163.03886	0.8
171.02991	0.6
171.04420	1.3
173.02400	1.1
175.03946	1.5
183.04424	0.5
185.02316	0.9
187.03877	4.5
189.01917	0.4
199.03926	2.7
201.01820	0.7
203.03423	3.7
205.04987	1.1
211.03758	0.5
213.01871	2.2
213.05452	0.6
215.03372	4.9
217.05048	1.1
227.03340	1.6
229.01244	1.1
231.02861	14.7
232.03111	0.4
233.04344	0.5
239.03395	0.8
241.01343	2.6
241.04887	0.5
243.02956	3.1
245.04419	1.7
247.02383	1.6
253.04953	0.4
255.02792	2.1
255.05014	6.3
257.00787	1.5
259.02359	22.4
260.02881	0.5
261.03946	1.4
265.04935	0.6
267.02612	0.5
268.16101	0.3
269.04419	1.0
271.02328	4.1
273.00900	0.6
273.03958	3.3
275.01859	1.6
277.03418	51.9
278.03796	1.2
281.04468	0.7
283.02457	1.7
285.00348	1.1
285.09579	0.6
287.01950	1.2
287.05502	1.2
289.03418	5.3
297.03973	1.2
299.01901	8.7
299.05191	0.4
300.99979	0.6
301.03397	6.3
302.03943	0.5
303.01379	12.0
303.04721	0.7
304.01758	0.5
305.02966	3.0
309.04004	0.8
311.01578	0.5
313.03421	2.3
315.01422	6.8
315.04977	1.0
317.02872	1.7
319.04428	1.0
321.02585	1.6
327.01373	6.6
327.05081	0.5
328.99274	3.6
329.02972	0.9
331.00824	6.0
331.04346	0.5
337.03308	0.7
339.01331	1.5
339.05136	1.0
341.02863	2.1
341.06427	0.6
343.00714	0.8
343.04263	0.7
345.02390	26.9
346.02591	0.8
348.13913	0.4
353.02805	0.5
355.04462	1.8
357.02267	0.4
361.01825	1.1
365.02930	1.1
367.00543	0.6
367.04428	1.7
369.02328	2.3
381.02411	2.3
383.03833	1.3
385.05515	2.6
387.03482	0.4
393.02499	2.5
399.03421	1.6
411.03522	6.8
429.04553	1.2
447.05737	1.8
465.06534	2.4
483.07153	0.6
575.06415	0.5
599.06616	1.8
617.07587	1.2
937.10516	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	937.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	1.0
70.27280	0.3
71.71180	0.5
75.36397	0.3
78.64188	0.3
79.01845	7.5
81.03405	4.3
85.02913	1.0
91.05461	0.5
97.02888	1.7
99.04462	0.9
99.74248	0.3
103.03909	0.5
103.05434	0.7
107.01311	2.0
109.02881	1.2
115.05476	0.4
119.04967	0.6
125.02342	5.0
127.03914	1.0
129.03352	0.4
131.04916	0.8
139.03903	1.3
143.03381	10.1
143.04997	0.5
145.02864	0.5
147.04399	1.2
153.01810	100.0
153.02716	4.6
154.02173	1.3
157.02884	0.7
159.04398	1.1
163.03896	0.7
171.03040	0.6
171.04311	1.8
173.02313	0.7
175.03871	2.0
177.05397	0.5
179.03488	0.3
181.04895	0.6
181.06351	0.4
183.04387	0.5
185.02362	1.0
185.06117	0.4
187.03896	3.8
199.03847	1.9
201.01791	1.2
203.03380	3.5
205.04977	0.9
209.02382	0.4
213.01784	3.0
213.05463	0.7
215.03391	5.1
217.04932	0.9
219.02881	0.6
225.05539	0.5
227.03340	2.3
229.01344	1.5
229.04912	0.7
231.02852	14.5
232.03185	0.6
239.03371	0.6
241.01273	2.5
241.04932	0.5
243.02829	3.0
245.04520	1.1
247.02307	1.7
255.02774	1.9
255.05025	6.4
257.00748	1.4
257.04614	0.6
259.02350	21.8
260.02777	0.6
261.03925	1.4
269.00870	0.4
269.04404	0.9
271.02377	3.0
273.00891	0.5
273.03824	3.2
273.06143	0.3
275.01794	2.1
276.02664	0.8
277.03403	55.3
278.03793	1.3
281.04367	0.5
283.02481	1.9
285.00256	0.7
285.03891	0.6
285.09625	0.4
287.01871	0.7
287.05386	1.0
289.03403	6.0
295.02536	0.4
297.03989	1.1
299.01849	8.9
299.05151	0.4
301.03363	7.0
303.01321	12.3
305.02841	2.8
311.02023	0.7
311.05450	0.7
313.03418	2.3
315.01346	8.0
315.04834	1.1
316.01968	0.5
317.02844	1.6
319.04419	1.0
321.02603	1.0
325.03339	0.4
327.01321	6.9
327.05014	0.4
328.99191	3.2
329.02905	1.2
331.00821	6.2
331.04639	0.6
333.02109	0.6
337.03311	0.6
339.01227	1.6
339.05066	1.2
341.03098	2.2
343.00671	0.7
343.04395	1.3
345.02365	26.8
346.02835	0.9
355.00552	0.6
355.04352	1.6
357.06055	0.5
361.01862	0.9
365.02954	1.3
367.00708	1.0
367.04803	1.5
369.02472	2.6
381.02380	1.8
383.03964	1.4
385.05429	2.0
387.03543	0.3
393.02252	2.6
399.03296	1.5
411.03409	5.3
429.04648	1.4
447.05640	1.7
447.10800	0.3
465.06650	2.3
483.07654	0.4
575.06146	0.5
599.06964	0.9
617.07178	1.1
937.09033	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	936.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.7
67.05496	58.7
69.03410	3.8
69.07059	13.2
70.06653	4.8
71.04991	4.6
73.02905	2.3
79.05482	39.9
81.03410	76.5
81.07049	62.5
81.07439	1.0
81.07544	1.3
82.03751	0.8
83.04968	6.0
83.08607	22.7
85.02897	9.4
85.06539	3.0
91.03950	6.2
91.05473	34.2
91.06042	1.9
93.07036	44.8
95.01330	1.4
95.04961	31.9
95.08596	44.6
97.02865	4.7
97.06522	5.1
97.10165	6.6
98.21340	1.2
99.08105	1.5
103.05450	1.0
105.04477	1.0
105.07016	29.5
107.04940	9.8
107.08584	28.1
107.09156	0.5
109.06496	3.9
109.10148	21.9
111.04448	2.1
111.07372	1.2
111.08044	7.9
115.05421	1.1
117.07011	8.7
118.07668	0.9
119.07753	1.6
119.08569	29.8
121.06470	4.7
121.10121	22.0
123.04446	2.0
123.08064	3.7
123.11698	7.6
125.09602	4.8
127.03877	2.2
129.06978	11.4
131.08557	19.3
133.06488	2.8
133.10115	14.1
135.08014	2.6
135.11684	13.8
137.06007	0.8
137.09599	2.4
137.13245	2.0
142.07767	3.5
143.08539	3.3
145.04933	3.2
145.10121	11.4
147.04457	1.2
147.08043	3.2
147.10602	1.4
147.11671	16.6
149.09589	5.7
149.13240	9.2
151.11134	1.0
153.09056	1.1
155.08539	1.5
157.10106	12.3
159.11658	8.3
161.05882	1.0
161.09647	1.2
161.13239	4.9
163.05994	3.6
163.11153	2.6
163.14801	3.2
165.12733	2.9
169.10121	2.3
171.11646	2.7
173.09627	1.0
173.11841	1.5
173.13222	7.2
175.11185	9.8
175.14810	2.3
177.16360	1.6
178.68437	1.0
181.10002	1.0
183.11777	1.5
185.13254	2.3
187.13220	1.0
187.14713	4.0
189.11197	2.9
191.10689	1.1
193.12215	21.1
197.13345	1.5
197.15215	0.9
201.16293	1.9
205.12280	1.5
211.13264	1.9
213.16559	0.8
223.13266	0.9
227.12752	9.3
233.22847	1.1
235.13257	2.4
243.15862	1.5
243.21074	6.6
245.13695	0.9
247.16977	1.5
249.14839	3.2
259.13251	2.4
259.20490	1.0
261.22119	20.2
261.24783	1.5
267.15894	100.0
268.16171	1.5
273.14716	1.3
279.23126	1.2
285.21979	1.2
301.14343	2.3
301.25284	7.9
309.16940	5.6
317.24692	3.7
335.25769	85.1
336.26157	2.7
357.27707	1.0
403.25128	1.4
417.31470	1.2
421.25769	2.5
435.27304	3.0
435.32504	5.4
448.65649	1.0
449.28391	1.3
453.33609	8.1
471.34692	4.2
509.36172	2.4
527.37256	71.6
528.37726	2.2
545.38330	67.1
546.38501	3.9
559.39557	2.4
569.38403	8.6
577.40552	1.0
587.39221	1.6
611.38818	1.4
623.39301	2.8
635.39105	2.9
653.40070	3.2
671.41125	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	936.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	5.0
67.05501	85.4
68.05819	0.9
69.03430	11.8
69.07063	33.7
69.07441	1.6
69.58603	7.4
71.01351	3.4
71.04985	7.5
73.02896	4.9
77.03912	1.4
78.64532	0.9
78.94572	0.8
79.05486	52.5
80.06250	1.6
81.03413	15.6
81.07050	100.0
83.04975	13.1
83.08615	17.8
83.88236	0.8
85.02898	17.2
85.06528	6.5
87.04444	1.0
91.03956	6.5
91.05474	54.8
93.07034	60.2
95.04962	16.1
95.08598	41.0
97.02884	12.6
97.06523	14.4
97.10158	5.3
99.04448	1.9
99.08093	3.0
103.05477	1.5
105.07022	28.6
107.04927	6.7
107.08582	32.7
109.02869	3.2
109.06512	5.5
109.10147	19.5
111.04417	2.2
111.08057	6.6
113.09683	1.1
115.03899	1.4
115.05437	1.7
116.06264	1.0
117.07010	14.5
119.08571	19.8
121.06513	5.0
121.10135	15.4
123.08060	5.7
123.11702	6.8
125.09599	5.3
127.03896	5.4
128.06146	0.9
129.05457	4.8
129.07014	4.1
131.08548	16.5
133.06480	2.0
133.10121	22.2
135.07091	1.0
135.07991	4.6
135.11693	13.5
137.09602	6.8
139.11151	1.1
141.06950	1.3
143.08551	2.5
145.04932	1.3
145.06503	1.0
145.10114	8.4
147.08054	1.8
147.11678	8.5
149.09612	12.5
149.13258	15.3
151.11156	6.6
155.08560	1.0
155.10725	1.5
157.10141	1.8
159.11673	12.2
161.09573	1.5
161.13246	3.2
163.11186	3.9
165.12787	2.9
169.10185	1.3
169.12357	1.1
171.11696	3.9
173.04466	2.5
173.09561	1.1
173.11768	5.5
173.13091	1.3
175.11165	2.9
177.12726	4.6
179.14285	2.8
183.11571	1.0
185.13292	1.2
189.11095	1.2
193.12279	2.7
195.13776	13.0
199.13281	1.7
211.13304	2.0
213.12825	1.0
213.16541	1.5
214.79620	1.0
227.12802	2.9
229.14246	4.7
239.16220	1.0
243.15935	4.0
247.20572	1.5
253.14409	2.3
255.15764	6.4
257.19046	2.4
263.20096	1.1
267.15842	5.4
269.17453	46.2
273.18533	4.0
275.20007	10.5
277.21643	1.0
285.14346	0.9
285.17062	4.2
291.19522	7.1
293.20999	1.4
331.22736	1.3
349.23712	13.7
365.23190	5.8
365.27127	1.3
373.18643	1.9
383.28455	1.0
420.29190	1.1
423.27371	21.1
437.29013	7.6
447.30997	2.1
449.28931	9.2
461.28949	2.6
462.29575	1.4
463.30579	3.8
465.28064	1.2
479.29996	3.3
543.36694	21.9
559.36005	3.8
561.37592	3.0
567.31665	2.6
577.36902	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	936.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	3.9
67.05496	80.6
69.03416	14.5
69.06699	2.0
69.07060	32.5
71.04985	8.0
71.71275	1.9
73.02899	4.1
77.03941	1.2
79.05484	69.5
81.03408	85.3
81.07048	100.0
83.04971	29.3
83.08607	32.4
85.02893	42.1
85.03404	2.3
85.06523	6.5
91.03945	7.9
91.05469	85.5
93.07030	75.3
93.07486	0.9
95.04955	38.3
95.08598	41.9
95.09210	2.1
95.33535	1.2
97.02883	15.8
97.06531	20.2
97.10145	9.9
99.04421	2.5
99.08070	4.0
103.05415	2.4
105.04450	1.5
105.07017	62.0
107.04941	16.8
107.08587	44.6
109.02867	3.4
109.06509	13.5
109.10133	13.3
111.04443	3.3
111.08064	17.7
113.05984	4.6
115.05442	4.2
117.06999	23.9
119.04919	1.5
119.08566	50.4
119.09418	2.6
121.06454	6.7
121.10125	28.2
123.04386	2.0
123.08052	9.5
123.11681	7.9
125.09601	6.1
127.03918	6.4
128.06224	1.7
129.05469	1.8
129.06989	23.5
131.04932	1.3
131.08556	33.6
133.06512	7.2
133.10118	38.5
135.08061	6.8
135.11658	14.1
137.09572	5.8
141.06995	4.1
142.07713	3.4
143.08554	8.3
145.04959	2.2
145.06459	2.4
145.10104	19.6
147.08008	6.2
147.11665	28.0
149.09592	21.7
149.13246	15.7
151.11075	1.9
155.08553	3.8
157.06395	1.2
157.10112	22.9
159.08040	2.0
159.11674	17.4
161.09712	2.7
161.13277	5.0
163.11165	11.4
165.12709	5.8
167.08586	1.5
169.10133	3.0
171.11620	4.6
173.04517	3.0
173.09486	1.4
173.11768	2.2
173.13206	5.7
175.11171	21.0
177.12715	5.2
179.14296	3.0
181.12106	1.9
183.11674	5.2
184.07378	2.1
185.13254	2.6
187.11150	1.5
189.11176	3.0
189.12726	1.4
193.12228	46.4
195.13808	5.4
197.13284	2.0
199.14742	2.1
211.13258	60.1
212.13620	1.3
217.15781	1.8
219.17511	2.3
227.12723	5.5
229.14206	1.9
229.19489	1.9
239.17982	3.4
247.20578	2.6
249.14859	2.3
251.16362	1.8
255.15874	13.6
257.18982	10.9
267.15884	33.7
269.17444	37.7
273.18469	1.7
275.17285	0.9
275.20026	32.1
285.16949	55.5
291.19705	1.5
293.21036	2.7
309.20636	3.6
321.24628	1.4
331.22595	3.3
349.23682	29.3
367.24774	4.2
372.78970	1.2
413.21536	3.0
421.25470	1.8
433.29077	1.3
439.26639	2.5
443.27652	4.7
447.27307	8.5
461.28934	39.8
465.28421	20.5
475.26523	1.2
479.30014	91.0
480.30087	2.3
501.31839	4.4
513.36157	1.7
519.33325	8.7
531.36676	1.7
541.35223	18.7
551.48755	1.4
559.36237	46.7
560.36261	1.7
577.37347	10.6
623.33728	5.2
703.40240	3.4
721.40509	1.9
766.13556	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.0
67.05500	53.5
69.03421	10.5
69.07061	23.1
70.06303	5.7
71.04987	6.4
73.02911	3.0
79.05487	51.7
81.03409	56.9
81.07048	68.1
83.04972	19.1
83.08616	22.5
85.02385	2.0
85.02895	30.8
85.06528	3.8
87.04445	1.4
91.03968	5.2
91.05473	51.7
93.07037	57.1
95.04962	26.5
95.08018	1.5
95.08598	26.9
97.02897	9.3
97.06521	14.0
97.09586	1.2
97.10140	5.5
99.04453	2.9
99.08076	3.6
102.73379	1.0
103.05511	1.0
105.07020	39.5
107.04934	11.5
107.08585	27.0
109.02866	1.9
109.06504	8.9
109.10145	10.4
111.04434	3.8
111.08073	13.9
113.05988	3.3
115.05426	2.6
117.07014	12.9
119.04948	1.1
119.08572	28.2
121.06498	4.1
121.10141	18.1
123.08055	3.8
123.11684	3.1
125.09599	3.5
127.03885	4.2
127.07558	1.5
128.06221	1.2
129.07002	13.3
129.20544	1.0
130.28464	1.0
131.08545	24.2
133.06476	4.0
133.10123	24.6
135.08052	3.8
135.11694	12.2
137.09644	3.6
139.11191	1.4
141.06950	1.2
142.07790	3.5
143.08569	3.4
145.04967	2.1
145.10107	8.0
147.08035	4.0
147.11668	16.2
149.09613	13.7
149.13260	10.0
151.11060	1.5
155.08560	2.3
157.10120	13.2
159.08022	1.2
159.11636	10.0
161.09631	1.4
161.13257	1.8
163.05960	1.7
163.11177	6.3
165.12755	3.8
169.10141	1.3
171.11670	1.4
173.04401	2.8
173.13228	3.8
175.11143	14.0
177.12752	2.7
181.12038	1.0
183.11700	2.4
185.13200	1.7
187.11230	1.3
189.11176	2.6
193.12227	34.6
195.13789	5.8
197.13167	1.1
205.12267	1.7
211.13263	50.1
213.14755	1.2
227.12714	3.8
229.14383	1.4
229.19508	1.1
239.17857	2.1
249.14758	1.5
255.15852	10.1
257.19043	5.2
267.15903	36.4
269.17453	34.8
273.18457	2.7
275.20068	16.3
285.16959	51.6
286.17276	1.5
291.19601	1.1
293.21014	1.3
329.77927	1.0
331.22803	1.4
349.19653	1.6
349.23727	15.3
367.24664	2.7
387.25177	1.1
413.21738	2.5
435.27121	1.3
437.24933	1.6
439.26700	3.4
443.27768	4.2
447.27292	9.8
461.28973	38.8
462.29224	1.9
465.28491	15.5
479.30023	100.0
480.30276	3.6
519.33215	1.3
523.34460	1.3
541.35199	10.5
542.35022	1.4
559.36273	27.5
577.37390	8.4
583.31055	1.5
623.33997	4.6
721.41284	1.3
893.20459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.9
67.05150	4.2
67.05500	71.8
69.03429	11.2
69.07063	19.6
71.04981	7.5
71.71474	2.7
77.03922	2.5
79.05486	62.6
81.03413	65.9
81.03891	3.4
81.07047	86.1
83.04973	25.9
83.08614	27.9
85.02905	28.5
85.06535	6.8
91.03939	6.7
91.05475	81.9
91.06055	4.0
93.07037	48.2
95.04962	37.3
95.08604	30.5
97.02874	8.4
97.06532	9.5
97.10158	4.4
99.04433	2.8
99.08080	2.7
105.07019	77.3
107.04950	18.7
107.08585	48.1
109.06499	15.3
109.10144	53.7
110.57965	2.0
111.04425	6.2
111.08071	12.4
113.06010	3.5
117.07018	11.6
119.08573	29.6
121.06512	12.1
121.10162	16.5
123.04443	2.2
123.08089	10.1
123.11689	9.0
125.09649	2.3
127.07502	4.0
127.43011	2.0
128.06197	3.7
128.56314	1.9
129.07002	15.7
131.08572	24.7
133.06474	9.6
133.10123	80.6
135.08049	9.7
135.11711	7.6
137.09567	4.1
142.07767	5.0
143.08517	4.0
145.10136	11.7
147.08025	6.7
147.11679	17.9
149.09547	12.6
151.11169	31.8
155.08597	2.6
157.10117	17.2
159.08089	4.4
159.11746	4.0
161.09599	6.8
161.13202	2.3
163.11177	4.8
165.12766	2.6
169.12219	5.4
171.11682	5.9
173.09662	3.2
175.11180	18.3
177.09230	3.9
177.12727	2.5
185.13177	2.3
193.12238	46.9
211.13274	69.6
211.15199	4.4
215.12715	3.8
245.18959	4.5
249.14738	3.4
252.49339	2.0
253.14339	100.0
255.17299	3.6
267.15878	26.2
271.15210	3.9
273.18488	30.3
275.20044	3.2
283.15399	4.1
285.16940	61.5
291.19556	39.0
296.68692	2.1
347.22284	12.6
365.23230	44.0
445.25806	4.2
463.27029	27.3
465.29602	3.0
481.28006	29.5
483.31009	3.1
539.33514	8.8
557.26556	1.8
557.34564	42.2
575.35699	87.6
576.36475	4.1
644.68115	2.4
772.09912	2.6
914.43750	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	934.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.9
67.05150	4.2
67.05500	71.8
69.03429	11.2
69.07063	19.6
71.04981	7.5
71.71474	2.7
77.03922	2.5
79.05486	62.6
81.03413	65.9
81.03891	3.4
81.07047	86.1
83.04973	25.9
83.08614	27.9
85.02905	28.5
85.06535	6.8
91.03939	6.7
91.05475	81.9
91.06055	4.0
93.07037	48.2
95.04962	37.3
95.08604	30.5
97.02874	8.4
97.06532	9.5
97.10158	4.4
99.04433	2.8
99.08080	2.7
105.07019	77.3
107.04950	18.7
107.08585	48.1
109.06499	15.3
109.10144	53.7
110.57965	2.0
111.04425	6.2
111.08071	12.4
113.06010	3.5
117.07018	11.6
119.08573	29.6
121.06512	12.1
121.10162	16.5
123.04443	2.2
123.08089	10.1
123.11689	9.0
125.09649	2.3
127.07502	4.0
127.43011	2.0
128.06197	3.7
128.56314	1.9
129.07002	15.7
131.08572	24.7
133.06474	9.6
133.10123	80.6
135.08049	9.7
135.11711	7.6
137.09567	4.1
142.07767	5.0
143.08517	4.0
145.10136	11.7
147.08025	6.7
147.11679	17.9
149.09547	12.6
151.11169	31.8
155.08597	2.6
157.10117	17.2
159.08089	4.4
159.11746	4.0
161.09599	6.8
161.13202	2.3
163.11177	4.8
165.12766	2.6
169.12219	5.4
171.11682	5.9
173.09662	3.2
175.11180	18.3
177.09230	3.9
177.12727	2.5
185.13177	2.3
193.12238	46.9
211.13274	69.6
211.15199	4.4
215.12715	3.8
245.18959	4.5
249.14738	3.4
252.49339	2.0
253.14339	100.0
255.17299	3.6
267.15878	26.2
271.15210	3.9
273.18488	30.3
275.20044	3.2
283.15399	4.1
285.16940	61.5
291.19556	39.0
296.68692	2.1
347.22284	12.6
365.23230	44.0
445.25806	4.2
463.27029	27.3
465.29602	3.0
481.28006	29.5
483.31009	3.1
539.33514	8.8
557.26556	1.8
557.34564	42.2
575.35699	87.6
576.36475	4.1
644.68115	2.4
772.09912	2.6
914.43750	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	932.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.1
67.05145	1.8
67.05498	34.5
68.28759	0.9
69.03410	2.9
69.07063	12.2
70.13129	3.8
71.08251	1.7
71.08627	20.7
73.02907	3.1
79.01626	0.8
79.05485	22.6
81.03442	0.9
81.07050	46.0
83.08612	10.5
85.02895	16.4
85.06486	0.9
85.10174	15.2
89.06036	1.2
91.03951	13.6
91.05466	10.9
93.07036	28.1
95.04966	1.4
95.08596	42.4
97.02885	8.1
97.06527	1.9
97.10169	8.1
99.04476	1.1
99.08073	1.3
105.07018	10.8
107.08589	19.2
108.51244	0.9
109.06594	1.0
109.10143	23.4
111.08064	0.9
111.11740	0.8
117.07011	3.1
119.08556	8.5
121.10133	16.7
123.08053	1.2
123.11696	7.7
126.96777	0.8
127.03901	4.7
131.08560	7.2
132.66402	1.0
133.10139	9.1
135.11673	13.6
137.13260	2.6
145.04941	5.9
145.10132	7.4
147.11671	4.4
149.13252	8.3
159.11661	6.6
161.13293	4.7
161.14400	0.8
163.05984	6.6
163.14775	4.7
171.11649	0.8
173.13257	5.4
175.14819	1.3
177.16400	2.8
187.14798	3.9
201.16328	1.0
233.22693	1.4
239.23660	3.4
243.21089	8.3
257.24771	2.6
261.19315	1.9
261.22122	36.9
299.23560	1.5
313.27341	100.0
314.27814	1.3
317.24658	5.4
335.25769	73.1
336.26273	1.5
392.94324	0.9
466.90189	1.0
499.44772	1.4
573.48706	36.9
591.49585	7.3
782.21509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	34.7
68.95225	1.4
69.03423	4.8
69.07074	10.3
71.04988	5.4
71.72060	1.3
71.72494	2.6
78.39052	1.3
79.05480	25.8
81.03401	27.4
81.07045	44.7
83.04947	7.1
83.08607	14.2
85.02883	1.7
85.06552	3.7
87.07309	1.7
91.05466	18.4
92.66697	1.3
93.06445	2.0
93.07031	37.9
95.04949	13.1
95.08593	14.6
97.02882	1.5
97.06522	8.2
97.10113	1.4
99.08060	1.7
103.05460	34.2
105.07030	7.9
107.04959	3.4
107.08585	20.6
109.06516	3.4
109.10136	4.6
111.04450	3.2
111.08089	5.9
115.05455	1.5
117.07027	5.3
119.08559	5.9
121.10119	17.0
123.11697	1.6
129.07010	3.2
131.04913	85.2
131.08543	9.0
133.10129	5.8
135.08038	2.1
135.11658	6.1
137.02353	1.7
139.03899	4.6
139.11209	2.4
139.13580	1.4
141.01808	2.0
147.11652	2.3
149.09599	2.1
149.13239	16.5
153.01808	3.3
157.10094	4.9
159.11705	6.9
163.03908	4.4
165.01823	7.9
165.12785	2.0
175.11160	5.8
177.12686	4.4
177.59749	1.5
179.03381	37.3
183.02873	10.1
189.05437	2.2
191.03424	2.5
193.12230	8.9
195.02927	1.9
195.13809	6.4
197.04347	1.7
207.02943	2.1
221.04446	2.3
236.74667	1.3
247.06029	2.8
257.04498	1.5
257.08081	8.4
267.15906	49.4
268.98245	1.8
269.08130	5.6
269.17450	83.2
283.09656	3.4
301.14200	4.8
327.89136	1.6
345.13235	2.3
399.21829	3.1
417.26306	1.8
431.18829	2.4
435.27347	5.6
443.28012	4.0
461.28940	100.0
462.29663	1.9
479.29855	2.0
480.79089	2.0
523.23230	2.5
569.31873	3.2
587.32141	2.7
717.35980	5.8
802.29468	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	6.9
69.03418	3.3
70.32417	1.6
71.04984	16.5
75.04461	0.8
76.13886	0.5
79.01839	3.6
81.03409	0.6
83.04979	0.7
85.02395	1.0
85.02895	15.5
97.02898	0.6
98.38013	0.4
107.01304	1.4
109.02869	1.2
111.00790	5.1
111.04459	1.3
121.02838	0.9
123.04411	1.7
125.02325	2.7
127.03884	5.9
129.05458	3.0
133.02846	1.4
135.04437	0.8
137.02328	0.8
139.03882	8.6
143.03381	6.5
143.04544	0.6
145.06433	1.0
147.04404	3.5
149.02316	1.3
151.03874	5.1
153.01813	79.6
154.02179	0.8
155.03409	0.5
157.06476	1.0
159.04443	0.9
161.02316	1.0
161.05937	1.5
163.03860	3.3
165.01794	2.5
165.05458	0.7
171.04358	4.0
173.05974	2.0
175.03902	7.4
177.01808	0.6
177.05447	1.9
179.03391	10.3
183.02840	1.4
183.04337	0.7
185.05956	1.4
187.03917	1.9
189.05461	3.3
191.03398	1.0
193.04958	1.7
195.04530	0.6
197.05972	1.3
199.03894	9.5
201.05441	4.1
203.03371	8.1
203.06804	0.5
205.01341	0.8
211.03867	0.6
213.05464	5.9
215.03372	2.8
217.04922	9.0
219.06528	4.2
223.02180	0.7
227.03368	4.7
229.04874	3.1
231.06526	1.7
237.05374	1.6
239.03349	0.6
241.04909	4.9
243.06525	1.5
245.04433	12.8
253.04901	1.4
255.02855	1.2
255.06401	0.7
257.04422	2.5
259.06097	2.5
259.49463	0.5
261.07535	0.9
263.05508	5.5
265.05029	0.7
267.02728	0.6
269.04422	6.6
271.02383	2.8
271.05957	1.1
273.03891	2.1
279.08698	1.1
281.04300	1.2
283.02573	0.7
283.05923	1.8
285.03949	5.9
287.05469	100.0
288.05826	1.1
289.03375	5.3
293.04361	0.7
295.02310	0.5
295.05927	0.9
297.04178	2.7
299.05560	4.3
301.03421	3.6
303.04794	3.3
305.06479	1.4
309.03958	1.9
311.05453	5.2
313.03470	3.0
313.06573	0.5
315.04959	1.0
318.03854	0.6
319.04453	32.2
323.05563	0.8
325.03488	1.1
325.06934	0.8
327.05133	3.0
329.02808	3.4
329.06537	6.8
331.04437	18.2
335.05643	0.7
339.04916	1.9
343.04507	1.5
345.05975	1.6
353.02756	5.1
353.06577	4.7
355.04388	1.0
357.06015	0.8
361.05420	1.6
363.04477	0.7
369.05969	1.2
369.10205	0.6
371.03931	2.5
373.09344	0.7
377.06616	1.1
379.08044	1.6
381.06213	1.4
391.04550	1.1
391.09622	0.9
395.03705	0.7
397.09146	5.4
405.05896	0.7
409.05603	1.9
411.06744	0.6
415.10184	4.2
433.11218	2.2
437.05008	5.7
439.06363	1.4
449.05154	0.6
451.06821	1.2
455.06067	35.9
457.07486	0.7
461.04898	1.1
467.06085	4.9
469.07364	0.7
479.06091	16.1
491.05936	0.8
493.07559	0.7
521.06799	1.2
547.09167	0.5
583.10187	1.1
587.08350	1.0
604.99176	0.6
605.09161	12.4
617.08997	0.9
623.10364	0.8
629.08795	1.5
671.09381	1.3
733.13300	0.6
775.11353	14.6
776.10156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.3
66.59560	0.5
67.05498	53.3
68.05827	0.6
69.03426	3.1
69.06703	0.7
69.07061	10.0
69.53458	5.4
71.04988	17.0
73.02905	2.5
73.06538	0.8
73.68235	0.5
77.03093	0.5
79.05485	28.3
81.03407	1.1
81.07047	77.1
82.07365	0.8
83.04962	3.1
83.08608	7.9
85.02900	10.0
85.06534	7.0
91.03948	4.6
91.05470	26.5
93.07033	29.9
95.04973	4.1
95.08598	24.5
95.09216	1.1
97.02886	6.5
97.06510	4.3
97.10151	2.5
99.04385	0.6
99.08079	1.2
103.05422	0.6
105.07026	14.9
107.08583	20.1
109.06509	1.7
109.10142	11.9
111.08068	2.1
117.07032	4.9
119.04914	1.0
119.06458	0.7
119.07753	1.0
119.08559	9.4
121.10133	14.0
123.08053	0.9
123.11694	11.6
125.09634	1.5
127.03931	2.2
129.06972	1.1
131.08551	8.8
133.10114	16.7
135.11690	9.2
137.13289	0.7
143.08530	1.2
145.04930	2.8
145.10114	4.9
147.04373	3.7
147.11693	4.9
148.04692	0.7
149.13243	6.3
151.11176	7.6
153.12720	0.8
157.10071	1.0
159.11670	6.3
161.13243	2.7
163.03928	1.7
163.06018	2.5
163.14798	1.0
165.12823	1.1
169.12224	1.1
171.11673	1.3
173.11876	0.7
173.13286	1.8
175.14864	1.4
177.12746	2.1
177.16356	0.7
180.47075	0.6
183.13858	2.1
185.13268	1.0
187.13278	3.1
187.14676	1.3
195.13808	0.9
199.14799	0.9
201.14787	1.3
227.16354	3.7
243.15814	0.8
243.21014	1.2
247.48579	0.7
253.17931	1.4
257.17496	2.4
259.20700	1.1
261.22119	2.4
269.17459	6.3
285.20627	0.6
301.20041	20.5
317.24765	1.0
335.25766	16.6
411.32684	1.8
419.33017	1.0
429.33524	0.7
437.34174	3.0
445.24255	1.0
455.35556	1.0
485.36075	5.3
503.37259	78.4
504.37704	2.4
511.37939	3.1
517.38696	4.3
529.38855	31.7
530.39331	1.0
547.39789	1.0
561.41449	100.0
562.41846	3.7
705.44702	1.2
920.49506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.7
67.05497	46.8
68.05834	0.5
69.03419	2.2
69.07062	7.5
71.04984	16.0
73.02906	2.2
77.03934	0.4
78.71914	0.4
79.05483	25.3
81.03421	2.1
81.07047	73.3
82.07400	0.6
83.04969	3.2
83.08612	5.9
83.98605	0.4
85.02892	8.8
85.06541	6.4
87.04469	0.6
91.03950	5.2
91.05469	19.8
93.07034	30.5
95.04960	2.5
95.05692	0.4
95.08593	22.5
96.04481	0.6
97.02882	4.4
97.06526	3.7
97.10153	1.5
99.04457	0.9
99.08097	1.3
105.07019	12.7
107.04911	0.5
107.08580	19.0
109.06514	2.2
109.10143	10.9
111.08067	1.5
115.03940	0.7
117.07008	3.8
119.04938	1.1
119.08577	7.4
121.10130	13.2
122.10658	0.5
123.08089	0.8
123.11692	10.6
125.09627	0.6
127.03888	2.6
131.07671	0.3
131.08554	7.1
133.10115	15.5
135.08040	0.4
135.11693	8.1
137.09644	0.7
139.11147	0.7
145.04893	1.9
145.10077	3.5
147.04381	3.4
147.11673	3.4
148.04782	0.6
149.13239	4.7
151.11165	5.0
153.12755	0.6
157.10095	0.7
159.11664	4.9
161.13200	2.5
163.03886	0.5
163.06044	1.6
163.14813	1.0
165.12712	0.5
169.10138	0.5
169.12253	0.9
173.04347	0.4
173.13232	2.0
175.14787	1.1
176.15434	0.4
177.12764	1.2
183.13777	2.2
185.13264	0.7
187.13304	2.8
187.14847	0.9
195.13806	1.0
201.14847	0.7
202.98308	0.4
227.16461	1.8
243.15930	0.9
243.21083	0.7
253.18077	0.7
257.17499	1.4
259.20627	0.9
261.22052	2.5
269.17453	4.4
282.08636	0.4
299.23663	0.6
301.20041	10.8
311.23355	0.5
317.24774	1.1
335.25769	22.2
336.26019	0.5
393.31512	0.7
411.32541	0.8
437.34235	0.7
445.24319	0.8
485.36234	2.0
503.37253	73.2
504.37625	2.6
511.38248	0.9
517.38739	2.6
529.38824	14.4
530.38916	0.7
547.40100	0.8
561.41437	100.0
562.41864	4.2
647.41461	1.0
673.43365	0.7
705.45197	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	920.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	4.6
67.05503	66.7
69.03427	7.0
69.07060	25.1
69.73787	16.8
71.04984	7.3
71.44227	2.2
73.02914	3.2
79.05487	52.7
81.03397	22.0
81.07055	100.0
83.04975	14.2
83.08613	19.9
85.02900	18.0
85.06542	4.0
91.03948	6.1
91.05471	45.2
93.07037	65.5
95.04974	11.9
95.08603	34.0
97.02897	9.0
97.06513	11.3
97.10178	4.7
99.08083	5.8
105.07027	35.5
107.04945	4.2
107.08594	37.0
109.06504	7.1
109.10148	11.7
111.08070	5.4
117.06995	16.5
119.08582	27.0
121.10141	24.7
122.34994	2.4
123.08104	3.1
123.11703	13.4
125.09640	3.2
127.03909	5.2
129.07014	5.5
131.08594	17.9
133.10109	29.2
135.07990	3.2
135.11678	22.6
137.09648	2.3
142.13925	2.4
143.08597	4.3
145.04961	4.3
145.10098	6.6
147.08029	2.3
147.11691	29.7
149.09686	5.5
149.13289	15.3
151.11211	3.6
157.10123	3.5
159.11717	12.7
161.13239	6.4
163.11208	5.9
165.12750	6.1
167.30545	2.1
171.11716	3.7
173.13277	4.1
177.12743	5.8
179.14377	6.0
185.13303	3.3
193.12260	8.9
195.13808	8.3
211.13263	8.4
229.14395	5.4
241.19487	6.4
251.16422	2.8
255.15747	3.1
257.19083	3.7
259.20654	17.6
267.15881	19.3
269.17480	51.7
269.20428	3.0
275.04968	2.2
275.20245	12.4
275.23010	2.2
277.21588	8.0
285.16956	35.5
315.23550	2.3
327.83514	2.3
331.22806	2.8
333.24155	12.7
349.23758	17.8
351.25272	8.6
423.27228	2.5
430.72964	2.6
445.29608	5.6
449.28976	17.6
463.30569	94.3
464.30933	3.4
525.35956	3.0
543.36823	38.3
561.37720	29.6
607.34576	6.4
622.21796	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	920.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.3
67.05499	76.6
68.05811	1.3
69.03419	7.6
69.06690	2.2
69.07062	31.1
69.48125	1.1
69.52845	7.7
69.53271	4.1
71.01354	1.2
71.04977	8.2
71.08617	2.2
73.02928	7.9
75.35100	1.0
76.03586	1.3
79.05484	66.7
80.06260	1.7
81.03403	12.9
81.07048	100.0
82.07377	2.0
83.04974	17.4
83.08619	20.5
85.02891	24.3
85.06526	6.4
89.10272	1.2
91.03947	11.7
91.05468	66.6
93.07034	79.1
94.07339	1.6
95.04964	16.7
95.08588	39.5
97.02885	14.4
97.06515	13.5
97.10159	4.3
98.21423	2.0
99.04446	2.5
99.08087	3.4
101.29265	1.3
103.05459	2.2
105.04494	1.4
105.07021	48.7
107.04942	8.6
107.08585	47.1
108.08938	1.3
109.02855	2.3
109.06506	7.2
109.10140	17.8
111.04428	4.9
111.08074	8.3
115.05417	1.6
117.07006	21.5
119.08566	31.6
121.06500	6.9
121.10132	27.2
123.04478	1.5
123.08055	5.0
123.11698	6.6
124.99955	1.5
125.09637	3.0
127.03915	7.0
127.07503	1.2
128.06203	2.3
129.05470	5.1
129.06967	8.5
131.08549	27.1
131.09468	2.1
133.06532	2.2
133.10115	40.4
134.10446	2.2
135.08081	6.4
135.11674	16.9
137.09607	2.9
139.11200	1.4
141.06989	2.1
143.08548	6.0
145.04930	4.6
145.06517	2.2
145.10109	17.6
147.08014	2.8
147.11679	18.3
149.09607	6.6
149.13258	21.7
151.11169	4.7
155.08527	1.5
157.10114	6.2
159.08026	1.4
159.11659	17.4
161.09618	1.6
161.13263	9.5
163.06001	2.5
163.11160	7.0
163.14832	1.4
165.12659	2.1
169.10069	2.6
171.11649	7.3
173.13232	7.7
175.11249	1.5
175.14828	3.5
177.12714	5.9
179.14394	1.7
181.12212	2.0
183.11661	2.7
184.07268	2.4
185.13249	4.4
187.14697	3.2
189.11203	1.3
189.12764	1.8
191.10582	1.7
194.05580	1.4
195.13771	15.7
197.13228	1.6
199.14891	3.0
207.13809	2.0
209.11600	2.0
209.13394	1.9
213.14853	2.7
217.15895	1.8
227.12753	4.4
231.21132	1.3
233.15292	1.8
241.19621	6.5
251.16429	2.2
253.14386	9.6
253.16951	1.4
254.14709	4.7
257.18954	4.6
259.20554	20.2
261.22031	3.1
265.14413	2.8
267.16016	2.9
269.17441	79.3
270.17755	2.9
273.18567	2.0
275.20059	13.6
281.17435	4.2
283.15381	5.2
291.19556	2.7
293.20990	7.8
301.16373	5.2
315.23352	2.1
333.24213	22.6
335.25848	9.5
349.23758	12.0
366.23602	1.4
367.24377	2.6
423.27097	1.5
435.32581	1.5
445.29764	1.7
446.30176	4.8
463.30490	37.0
465.28119	1.8
475.30490	10.3
478.60660	1.4
501.36597	1.3
515.37189	6.0
525.34772	1.5
527.37262	22.0
528.37659	1.2
543.36731	18.6
545.38562	6.0
559.36023	2.9
560.36615	4.0
561.37488	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.7
66.16682	0.7
66.65647	0.7
67.05498	22.9
68.51074	0.7
69.03417	2.4
69.07061	17.7
71.04983	2.5
73.02898	1.1
79.05484	24.1
81.03412	23.3
81.07049	34.9
83.04976	7.1
83.08611	9.7
85.02903	11.0
85.06536	2.5
86.16210	0.8
91.03960	2.2
91.05470	43.2
92.25908	0.8
93.07036	25.1
95.01332	4.4
95.04964	11.4
95.08593	18.3
97.02898	2.3
97.05933	0.6
97.06522	14.9
97.10156	2.8
99.08047	1.0
103.05518	1.1
105.07021	51.2
106.07331	0.8
107.04947	10.9
107.08583	12.4
109.06498	2.9
109.09502	0.7
109.10133	4.9
111.04422	1.0
111.08083	4.8
113.06001	1.0
115.05441	1.6
116.06226	0.8
117.07004	9.4
119.08566	31.8
121.06522	2.1
121.10109	8.3
123.04430	1.7
123.08049	3.4
123.11697	1.3
125.09637	1.4
128.06180	1.1
129.06993	5.1
131.08549	16.5
133.06493	1.7
133.10120	26.4
135.08041	2.2
135.11697	4.8
137.09589	1.6
139.07451	1.0
141.06989	1.1
142.07785	1.7
143.08531	2.3
145.10110	11.4
147.08055	1.9
147.11667	13.5
149.09631	6.9
149.13176	1.7
151.11179	1.2
151.80009	0.8
155.08490	1.3
157.10146	6.1
159.08080	0.8
159.11682	8.7
161.13280	3.8
163.11194	2.1
165.09122	1.2
165.12746	1.4
169.10101	0.8
171.11685	2.7
173.13179	2.1
175.11159	6.1
175.14786	0.9
176.11546	1.0
177.12747	1.7
179.14299	7.4
183.11678	1.7
185.13261	2.3
187.11142	1.3
193.12231	12.7
197.13309	1.0
201.12761	1.0
201.16327	0.9
203.14384	1.1
205.12143	1.0
211.13289	13.1
215.18115	0.8
219.17412	20.8
221.15430	0.8
229.19510	1.0
239.17853	1.5
247.20659	1.2
249.14740	1.1
257.19022	5.1
267.15921	15.2
275.20038	47.6
279.15833	1.4
285.16946	32.7
293.21167	3.6
349.23718	29.2
349.28018	1.4
357.60873	0.8
541.35181	48.9
542.35364	2.8
559.36243	100.0
560.36713	5.1
703.39874	1.7
799.76007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	30.6
69.03414	2.3
69.07065	22.0
71.04971	5.2
71.72939	2.7
73.02914	2.8
76.92722	1.8
79.05481	28.5
81.03407	29.8
81.07045	40.6
83.04982	11.6
83.08626	16.5
85.02900	14.5
85.06501	3.2
91.05467	55.8
93.07034	30.2
95.01307	5.6
95.04949	17.6
95.08591	26.4
97.02877	5.5
97.06522	24.3
97.10188	4.5
99.08064	2.8
105.07017	59.6
107.04958	13.5
107.08591	15.7
109.06496	5.4
109.10157	5.4
111.08157	4.2
115.05418	2.2
117.07000	8.6
119.08566	31.3
121.06539	2.1
121.10154	10.1
123.04374	2.5
123.08066	4.2
123.11689	2.8
129.06982	7.2
131.08571	21.8
133.06451	2.1
133.10123	35.8
135.08018	2.4
135.11665	6.8
142.07780	2.6
143.08516	2.3
145.10149	13.0
147.07993	2.7
147.11668	20.2
149.09608	5.8
157.10141	9.6
159.11664	7.9
161.13297	3.5
163.11150	5.7
169.10080	2.5
171.11632	3.3
175.11160	9.0
179.14284	6.5
179.24821	2.1
184.07289	2.6
187.11139	2.9
193.12218	18.7
211.13292	20.6
222.54552	2.0
257.18942	3.9
267.15924	29.1
275.20050	54.3
275.23035	3.0
285.13892	4.2
285.16922	56.8
293.20990	4.0
349.23755	31.4
515.33191	1.9
541.35199	74.6
542.35492	4.4
559.36279	100.0
560.36487	3.6
591.51398	2.1
673.50970	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	917.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.5
65.95864	0.2
68.99779	1.0
69.03374	0.2
71.70745	0.4
78.73062	0.2
79.01842	1.1
93.03419	0.4
95.04965	0.4
106.12023	0.2
111.00813	0.6
111.04453	1.2
121.02849	1.8
123.04416	4.3
123.49284	0.2
125.02327	0.6
127.03895	0.3
133.02876	0.3
135.04414	0.6
139.03888	100.0
140.04208	2.4
141.04300	0.4
143.03395	1.4
147.04388	0.5
149.05931	0.4
151.03891	10.6
152.04288	0.4
153.01814	14.4
153.02884	0.7
154.02127	1.4
155.02335	0.6
159.04405	0.4
163.03888	4.7
169.04947	0.3
171.04251	0.4
175.03862	0.6
176.04279	0.3
176.85898	0.2
177.05470	0.9
179.03424	0.8
180.03732	0.3
181.04958	0.9
182.23924	0.2
185.06010	0.3
197.06061	0.3
199.03888	0.6
203.03397	0.5
204.03598	0.4
205.05031	1.5
213.05486	0.5
217.04964	0.5
218.05341	0.3
219.06560	0.5
225.05379	0.3
227.03500	0.3
229.04953	0.7
241.04903	0.4
243.06377	0.3
245.04529	0.6
246.04785	0.3
253.04980	0.4
257.04413	0.4
263.05557	1.0
269.04529	0.3
271.06030	0.7
283.05997	0.5
287.05475	5.9
288.05814	3.9
289.07034	6.8
290.07266	0.3
299.05573	0.5
300.05804	0.4
301.06897	1.0
305.26828	0.3
307.08282	1.2
311.05408	0.4
312.05679	0.4
313.07135	0.3
324.84470	0.3
425.08630	0.9
426.08908	0.6
427.09799	0.9
438.08655	0.3
439.10156	0.7
459.09003	0.5
596.09869	0.3
643.59790	0.3
689.34845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05150	0.9
67.05497	11.6
69.03407	2.7
69.07040	2.5
71.04974	2.3
73.02910	1.1
79.05487	12.2
81.03410	35.9
81.03888	1.8
81.07050	13.7
83.04962	3.2
83.08613	11.7
85.02879	2.8
85.06496	1.2
91.03944	1.4
91.05476	11.9
93.07034	9.9
95.04412	1.3
95.04964	16.2
95.08591	6.3
97.02871	2.2
97.06501	2.9
97.10159	11.4
99.08067	1.0
105.07008	9.1
107.04939	9.9
107.08593	7.0
109.02888	1.4
109.06518	6.5
109.10146	4.9
111.04427	0.9
111.08061	3.9
115.05478	0.9
117.07017	4.1
119.04914	1.6
119.07339	0.8
119.08559	8.5
121.06507	7.9
121.10114	5.3
121.10863	0.9
122.06776	0.8
123.04415	2.0
123.08025	2.7
123.11679	1.3
125.09611	11.9
129.06985	5.0
131.04922	1.6
131.08568	7.4
131.61319	0.8
133.06461	2.9
133.10120	3.1
135.04390	0.9
135.08044	4.7
135.11627	1.6
137.05956	1.4
137.09618	1.6
139.03923	1.2
141.06946	0.8
142.07758	1.6
143.08539	2.1
143.10649	1.8
145.06450	5.0
145.10077	3.2
147.04362	2.1
147.08037	3.4
147.11633	5.0
149.09624	4.0
153.09084	3.0
155.08490	1.4
157.06502	1.2
157.10098	5.1
159.08092	1.9
159.11719	1.7
161.05945	1.2
161.09615	1.4
163.11160	2.8
165.12738	1.5
167.10606	1.5
169.10103	1.5
171.07942	1.4
171.11584	1.5
173.09518	1.3
175.11165	5.4
181.09987	0.9
189.11176	6.3
189.12723	1.7
191.14357	0.9
193.10579	1.2
193.12247	13.5
195.11691	1.1
197.13214	1.2
199.11201	1.5
199.13037	0.8
205.12212	1.1
213.12755	0.9
215.14268	2.2
219.13715	0.9
223.13222	1.3
227.12604	1.8
227.14507	1.2
233.15268	3.1
235.13228	1.8
237.12617	1.0
249.14883	0.9
255.13756	2.1
259.13223	1.9
267.15894	49.4
271.13318	1.0
273.14807	6.7
289.17767	0.9
293.17480	1.4
339.23013	2.7
349.21664	4.4
357.24411	1.4
367.22610	12.2
385.23682	18.8
403.24988	5.7
423.24460	1.0
441.26297	9.0
459.27399	100.0
460.27402	3.1
477.28430	90.1
478.28976	4.3
491.29984	12.0
501.28519	5.3
509.30835	3.6
513.28180	1.5
531.29608	2.1
541.33508	1.0
543.29285	1.8
555.29486	1.0
567.29315	4.9
572.48975	0.9
585.30457	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	916.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96074	0.8
65.03931	2.1
67.05499	49.0
69.03427	4.4
69.07058	10.6
69.50723	8.8
71.01360	1.8
71.04984	2.3
71.08626	25.4
73.02911	2.5
74.67470	0.8
79.05479	15.5
81.03430	4.2
81.03828	0.8
81.07047	29.7
83.04965	3.4
83.08607	15.9
85.02899	20.3
85.06524	1.6
85.10175	11.6
87.04459	4.9
89.06026	1.7
91.03947	5.4
91.05460	7.6
93.07032	9.4
95.04963	2.6
95.08591	24.5
97.02879	7.2
97.06510	2.4
97.10157	22.3
99.04440	1.4
103.03918	1.7
103.07561	1.2
105.07024	2.9
107.04935	2.4
107.08588	8.6
109.06522	1.3
109.10143	38.1
109.10895	1.8
111.04423	3.0
111.08063	1.0
111.11729	1.1
113.31656	0.8
117.06977	1.6
117.86405	0.8
119.08543	4.8
121.10118	3.9
123.11700	4.0
125.09620	17.4
127.03893	2.9
129.07011	1.2
131.08556	2.1
133.10120	2.0
135.11623	2.0
137.09608	1.6
137.13237	1.0
143.08688	0.8
143.10686	3.9
145.04936	2.9
145.10103	2.7
147.08124	0.9
149.09615	1.4
149.13156	1.2
153.12701	1.1
155.10641	1.4
157.09955	0.9
163.06026	3.2
163.11201	4.2
173.11726	11.6
175.35420	0.9
178.73387	0.9
181.12219	1.3
191.10632	2.9
199.13275	11.1
209.11708	9.2
223.13257	1.5
227.12802	12.9
229.14326	45.4
239.23677	4.9
241.14349	1.2
257.13834	1.5
257.24731	2.1
267.15945	2.5
267.36511	0.9
283.15384	8.8
287.05566	1.1
297.16879	2.7
301.16422	33.1
313.27335	100.0
314.27716	2.7
319.17459	2.3
335.25897	4.9
341.26828	2.4
354.84372	1.1
437.36148	7.0
455.37323	15.9
467.37271	28.7
489.35883	1.0
498.28726	1.0
503.36804	1.1
505.38666	1.8
521.38470	5.7
539.39423	18.5
540.39081	1.1
557.39697	7.3
701.44525	1.2
869.63721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.1
65.07921	0.9
66.69715	0.7
67.05501	42.5
67.30456	0.7
69.03416	4.6
69.07063	14.3
71.01350	1.4
71.04983	2.5
71.08624	24.3
73.02906	4.6
79.05027	1.6
79.05482	20.0
81.03413	6.9
81.07047	33.7
83.04958	7.4
83.08613	15.5
85.02889	17.3
85.06535	2.9
85.10172	12.7
87.04433	1.4
89.06010	2.1
91.03963	6.9
91.05469	14.9
93.07033	18.9
95.04968	6.6
95.08595	30.6
97.02884	14.2
97.06499	4.2
97.10156	11.6
99.04461	1.9
99.08064	1.1
99.11643	1.0
101.05981	0.9
103.07568	1.6
104.74731	0.8
105.07017	6.4
107.04945	4.4
107.08578	12.8
109.06486	2.2
109.09410	1.9
109.10144	29.7
109.10891	1.6
111.04441	13.5
111.08074	3.1
111.11716	1.4
117.07000	5.7
119.08545	7.4
121.06478	1.5
121.10128	11.0
123.04382	1.3
123.08064	2.6
123.11711	5.1
125.05971	2.6
125.09612	7.2
127.03914	4.0
129.06992	1.6
131.08557	5.0
133.10103	4.9
135.08073	1.6
135.11687	7.0
137.09587	1.8
137.13245	1.6
139.11159	2.2
143.10635	1.3
145.04927	3.3
145.10133	7.6
147.08087	1.8
149.09605	3.6
151.11165	1.7
154.96710	1.0
155.08556	1.0
155.10623	1.3
163.05998	3.8
163.11172	6.6
167.10716	2.0
173.09615	3.6
173.11728	5.8
177.89120	0.8
181.12225	1.9
187.13274	1.1
191.10625	6.0
193.12326	0.9
199.13310	5.0
209.11708	59.2
210.12119	1.0
213.14990	0.9
217.14346	0.9
225.07555	0.8
227.10719	1.5
227.12759	14.2
229.14340	17.4
229.16487	1.4
239.23685	3.0
241.14331	5.0
257.13632	1.0
257.24683	1.5
265.14398	2.0
275.83881	0.8
283.15375	38.6
287.05334	1.0
289.08899	1.0
301.16428	57.6
313.27332	100.0
314.27795	2.6
335.25919	1.8
341.26898	2.8
416.44461	0.9
437.35941	1.3
455.37262	7.1
459.18536	1.1
463.21570	1.4
467.37323	19.3
467.87927	1.0
479.37311	3.1
521.38330	31.1
522.38348	1.2
539.39337	38.6
557.40466	4.2
701.44330	1.0
719.39124	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	916.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67681	0.7
65.03930	1.1
67.05497	44.6
69.03418	4.0
69.07059	9.9
70.80070	2.8
71.01350	1.2
71.04993	2.5
71.08257	1.5
71.08621	17.5
73.02903	2.9
79.05479	13.6
81.03413	4.2
81.06559	1.4
81.07047	28.0
83.04974	5.3
83.08602	15.0
83.29112	0.7
85.02898	20.6
85.06526	2.3
85.10170	11.1
87.04459	5.4
89.06024	1.6
91.03469	1.0
91.03958	6.7
91.05468	7.2
93.07047	8.6
95.04950	2.1
95.08601	24.8
97.02880	7.6
97.06524	1.8
97.10154	20.1
99.04437	1.2
103.03968	1.0
105.07027	4.7
107.04934	3.3
107.08597	9.1
109.02849	1.0
109.10142	37.6
111.04446	1.6
111.08064	1.8
111.11739	1.3
117.07011	1.7
119.08569	4.2
121.06509	1.1
121.10168	4.6
123.08082	1.5
123.11688	3.5
125.09622	16.0
127.03910	3.2
131.08543	2.4
133.10095	1.9
135.07980	1.2
135.11664	3.2
137.09592	2.1
143.10712	3.8
145.04956	2.8
145.10112	2.7
149.09544	0.9
153.12732	2.2
155.10674	2.1
163.06071	1.9
163.11180	3.6
173.09602	1.1
173.11722	7.3
181.12277	1.6
188.51917	0.8
189.11143	1.3
191.10649	1.7
199.13312	12.6
209.11687	7.3
217.14388	1.3
219.28857	0.8
223.13293	2.0
227.12756	11.2
229.14328	44.4
239.23674	4.3
241.14279	0.8
257.14020	1.3
257.24728	1.7
267.15936	2.7
283.15363	7.1
297.16891	3.7
299.14804	1.6
300.15302	1.0
301.16428	31.3
313.27332	100.0
314.27628	2.1
319.17429	1.5
335.25760	6.0
341.26880	2.3
437.35886	4.5
455.37253	15.2
467.37277	27.9
489.35666	2.3
521.38232	4.2
538.37213	1.1
539.31726	0.8
539.39349	18.5
557.39484	4.8
602.96918	1.0
749.20740	0.9
950.22809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.0
67.05487	0.7
68.99780	9.2
71.44318	0.8
71.44666	1.0
79.01842	2.4
81.03397	2.7
83.04993	0.5
95.04938	1.6
97.02882	0.9
105.03352	0.8
107.01257	0.5
107.04910	1.0
109.02863	3.5
111.00783	9.5
111.04451	1.2
114.49597	0.5
115.05447	0.9
119.04929	1.1
120.71286	0.5
121.02838	1.8
123.04422	10.0
125.02326	2.2
127.03894	44.1
129.06923	0.6
133.02805	2.9
135.04437	1.7
139.03880	72.2
140.04253	0.9
143.03386	4.3
145.06441	1.0
147.04385	6.6
149.02336	3.2
149.06030	1.2
151.03885	30.2
152.04259	0.7
153.01807	56.9
154.02187	0.7
155.03403	3.3
155.04543	0.7
155.06075	0.6
157.06459	1.2
157.67473	0.4
159.04425	1.6
161.02338	1.2
161.05957	1.6
163.03879	9.4
165.05405	1.7
167.03372	2.0
169.04921	1.6
169.06390	0.9
171.04370	3.8
173.05962	2.6
175.03883	11.5
177.01811	2.1
177.05440	6.3
179.03363	34.3
181.04951	2.4
183.04391	1.1
185.05940	2.7
187.03885	0.9
189.05446	4.6
191.03369	5.9
193.04922	2.7
197.05890	2.6
199.03889	7.4
201.05428	5.7
203.03351	20.9
205.04980	3.1
211.03932	1.0
213.05434	8.7
215.03314	1.6
217.04900	8.4
219.02863	0.8
219.06450	3.3
221.04359	0.7
223.02264	2.5
225.05417	1.5
227.03255	2.7
229.04903	5.6
231.06361	2.3
233.04372	2.8
235.06017	0.6
241.04933	5.4
242.05598	0.8
243.06400	1.1
245.04413	42.8
246.04915	1.3
247.05984	1.5
251.05461	1.3
253.04936	2.3
257.04391	11.9
258.05133	0.6
259.05960	3.8
261.03961	0.7
263.05463	28.0
269.04382	6.1
270.04858	0.7
271.05957	5.2
273.03949	0.6
275.05457	12.7
277.07022	1.1
281.04404	2.4
283.06012	0.9
285.03949	1.4
287.05450	100.0
288.05823	3.7
289.06982	3.3
295.06128	0.7
297.03995	0.9
299.05460	26.4
300.06113	0.9
301.06830	0.7
303.04932	1.7
305.06500	11.3
307.08148	9.7
309.03934	0.6
309.07568	0.6
311.05518	1.7
317.06476	9.6
321.07639	1.1
323.05417	0.6
329.06619	0.7
331.04562	1.6
339.04956	0.7
347.07556	1.0
351.04956	1.3
367.08145	0.5
377.06577	0.7
379.07706	0.6
381.05811	0.6
393.06039	1.5
395.07449	0.7
399.06955	1.2
401.19284	0.5
405.06030	2.6
407.07541	2.1
413.08557	2.8
417.05939	1.1
423.07022	9.0
425.08615	24.3
426.08829	1.2
435.07141	2.8
437.08893	1.0
441.08084	5.8
443.03958	0.9
443.09683	10.9
447.07257	0.7
449.08679	1.4
453.07831	1.5
465.08160	1.2
467.09689	1.6
543.09387	1.0
549.10162	1.6
561.10052	1.8
567.10687	0.8
573.09955	0.7
595.10437	0.8
603.10974	0.9
611.13141	0.7
729.13342	1.0
747.15668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.7
68.99781	6.5
69.00150	0.4
69.03436	0.5
71.23470	0.6
79.01851	3.4
81.03394	0.6
84.11219	0.3
84.96045	1.4
85.02900	1.0
86.83376	0.3
91.05486	0.6
92.30639	0.3
95.04933	0.4
97.02870	1.1
98.96922	0.4
98.97565	6.9
102.97038	0.3
107.01282	0.7
109.02850	0.7
110.97577	1.3
111.00787	4.3
111.04436	0.3
115.05444	0.7
116.98598	5.5
119.04957	0.3
121.02842	0.7
123.04412	4.4
125.02310	2.3
127.03900	7.9
128.04300	0.5
128.98584	2.8
129.06953	0.3
131.00092	0.3
131.04881	0.8
133.02805	1.4
134.99632	2.2
135.04384	0.6
139.03883	37.2
140.04218	0.8
140.98567	0.8
143.00153	3.6
143.03381	5.7
145.01700	0.3
145.02791	0.4
145.06439	1.0
146.99638	2.9
147.04381	2.6
149.02339	1.9
149.05994	0.8
151.03889	13.6
152.00171	0.3
152.04204	0.5
153.01808	81.0
153.02759	2.9
154.02164	1.0
155.03389	0.8
155.04935	0.7
157.06500	1.4
158.99628	3.8
159.04382	1.2
161.01208	4.6
161.02419	0.3
161.05931	0.9
162.99144	0.6
163.03896	5.5
165.05394	0.3
167.03354	0.5
169.06439	0.8
170.99646	3.9
171.04376	4.0
173.05920	2.0
174.99063	0.3
175.02458	0.4
175.03891	6.2
177.00580	3.7
177.01907	1.3
177.05399	3.1
178.86084	0.3
179.03401	8.5
179.06940	0.3
180.03662	0.4
181.04893	1.4
181.08818	0.3
182.99667	1.3
183.04404	1.0
185.01129	0.7
185.05931	1.9
186.99132	0.8
187.03839	0.7
189.00694	5.3
189.05417	2.8
191.03459	1.6
193.04961	1.3
195.01703	0.6
197.05981	2.1
199.03880	8.6
201.00682	8.9
201.05441	4.6
203.01706	0.6
203.03409	10.8
204.03697	0.4
205.00214	1.1
205.04930	3.8
207.01738	0.7
211.03877	1.3
212.02274	0.3
213.00708	0.9
213.05458	5.5
215.03355	1.2
215.06970	0.4
217.04939	6.2
218.05585	0.4
219.01729	8.0
219.06456	3.8
223.02512	1.6
224.02307	0.7
225.05484	1.0
226.98615	0.6
227.03497	2.2
229.04950	3.1
231.01765	1.2
231.06532	2.7
233.04424	0.7
237.00662	0.5
237.02835	3.4
237.05217	0.4
241.02579	0.6
241.04932	5.1
242.03220	0.5
243.01755	3.9
243.06456	0.7
244.99857	0.6
245.04437	13.1
246.04861	0.6
248.99252	0.8
249.02940	0.8
253.00140	0.9
253.05014	1.8
257.04413	6.8
258.05087	0.5
259.06042	2.4
261.02768	13.0
261.53925	0.3
262.03204	0.6
263.00824	0.8
263.05475	7.3
264.05676	0.3
267.00180	1.0
267.03830	0.7
268.07385	0.3
269.04398	5.1
271.01288	0.6
271.06018	5.0
272.06247	0.4
273.02750	0.8
275.05453	3.8
279.03848	7.2
281.04364	1.1
285.03848	0.4
287.05463	100.0
288.05798	3.2
289.07068	4.0
291.00253	1.5
291.03900	2.9
295.05896	0.4
299.05460	23.7
300.05792	0.4
302.05402	1.2
303.04919	1.6
305.06577	1.9
307.08035	0.6
309.01251	0.7
309.04703	0.5
311.05481	1.9
315.04733	0.4
317.06558	2.0
318.06808	0.4
321.01367	0.3
321.04819	4.7
323.05521	0.5
331.04456	2.0
333.04749	0.7
351.05829	1.3
381.07007	2.2
383.07755	0.3
393.03146	1.0
397.06528	0.3
399.07898	1.6
407.07571	2.3
410.55759	0.4
411.04382	1.0
412.58127	0.4
420.07669	0.4
425.08615	21.1
426.08795	0.9
437.08646	1.1
441.09122	7.6
442.09183	0.8
443.09540	1.2
449.08752	1.8
459.08841	0.5
467.09885	0.5
469.08026	0.9
482.07773	0.7
482.57910	0.8
483.08325	0.7
487.59879	0.5
491.08389	2.1
491.58475	3.2
492.08469	0.9
501.11432	0.6
537.07294	0.6
543.12286	0.4
551.08960	1.2
555.08948	3.2
572.11078	1.9
572.61194	2.9
573.09564	16.7
573.61322	0.6
574.10358	0.4
575.11426	0.6
595.10522	1.1
688.71570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99414	0.4
68.99783	5.8
69.79826	0.2
71.16805	0.5
71.17156	0.2
72.37026	0.2
79.01849	2.8
95.04960	0.3
97.02877	0.8
107.01319	0.7
109.02847	0.3
111.00791	5.2
115.05434	0.5
117.06950	0.3
121.02873	0.6
123.04416	3.1
124.88808	0.2
125.02347	2.6
127.03904	3.1
129.06949	0.4
131.04898	0.5
133.02792	1.0
135.04411	0.5
139.03885	31.0
141.06953	0.4
143.03375	4.5
143.04539	0.4
143.04932	0.4
145.06430	0.7
147.04398	2.3
149.02303	2.1
149.05952	0.5
151.02664	0.5
151.03888	10.6
153.01808	74.6
154.02144	0.6
155.03485	0.2
155.04871	0.6
157.02802	0.4
157.06482	1.1
159.04398	0.9
161.05945	0.7
163.03879	4.6
165.05547	0.3
167.03360	0.6
167.04948	0.3
169.06482	0.7
171.04401	3.9
173.05991	2.4
175.03874	5.9
177.01823	1.6
177.05472	2.7
178.46712	0.3
179.03389	6.5
181.04930	0.8
181.06424	0.3
183.04439	1.0
185.05957	1.8
187.03864	0.9
189.05402	3.0
191.03395	1.1
191.07021	0.2
193.03435	0.3
193.04825	1.4
195.04352	0.3
197.05995	1.9
199.03882	8.0
201.05447	4.5
203.03377	9.4
203.06976	0.3
205.01332	0.5
205.04906	2.6
207.90601	0.2
211.03925	1.1
213.05429	5.2
213.07358	0.4
215.03407	0.9
215.07047	0.5
217.04930	6.4
218.05688	0.3
219.06471	4.0
223.02234	1.6
225.05492	1.5
227.03398	2.3
229.04948	2.6
231.06474	1.9
233.04469	0.8
239.03404	0.4
241.04938	4.1
243.06526	0.8
245.04434	11.5
247.06242	0.3
253.04912	2.0
257.04410	4.6
258.05103	0.4
259.05942	1.8
263.05487	5.1
269.04391	4.5
270.05295	0.3
271.06012	4.1
275.05502	2.4
281.04407	0.8
283.06146	0.4
287.05463	100.0
288.05807	1.7
289.07068	2.8
291.04846	0.3
295.05875	0.4
297.03769	0.3
299.05466	23.1
300.06024	0.7
303.04984	1.7
305.06512	1.4
307.04459	0.3
307.07864	0.6
311.05423	1.5
315.04987	0.4
317.06564	0.8
331.04535	2.6
407.07547	1.4
425.08640	20.4
426.08765	0.5
437.08585	0.7
443.09598	0.5
449.08591	1.3
467.09546	0.4
469.07657	0.6
595.10736	0.9
780.55737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.0
68.99785	6.1
69.70332	1.0
69.70741	0.4
76.76563	0.2
79.01849	1.9
81.03423	0.3
82.71997	0.2
87.00865	0.2
87.52774	0.2
91.05470	0.4
93.03329	0.2
95.04957	0.3
97.02872	0.4
105.03407	0.2
107.01295	0.5
107.04980	0.4
109.02844	0.6
111.00797	4.3
111.04414	0.3
115.05455	0.5
117.07013	0.2
121.02852	1.3
123.04417	1.5
125.02298	1.5
127.03911	1.9
129.07001	0.2
131.04898	0.5
133.02844	1.0
135.00774	0.7
135.04416	0.6
137.02406	0.2
139.03889	39.7
140.04245	0.4
141.06982	0.3
143.03377	2.8
145.02820	0.3
145.06459	0.7
147.04396	2.2
149.02289	1.2
149.06006	0.3
151.03894	4.9
153.01817	40.1
154.02159	0.6
154.61975	0.2
155.03391	0.3
155.04823	0.2
157.06480	0.8
159.04343	1.0
161.02397	0.3
161.05963	0.8
163.03899	6.3
169.06480	0.6
171.04411	4.0
173.02269	0.3
173.05959	2.2
175.03917	3.4
177.01791	0.6
177.05473	2.3
179.03378	8.0
179.06952	0.3
181.04956	0.5
181.06499	0.9
183.04434	0.6
185.02377	0.2
185.05962	2.2
187.03870	0.7
189.05464	2.8
191.03377	0.6
191.06981	0.3
193.04950	0.7
195.04407	0.3
197.05922	1.0
199.03893	11.2
200.04333	0.3
201.05461	4.3
203.03377	6.5
203.07088	0.2
205.04970	1.3
209.05969	0.9
211.03894	0.5
213.05450	5.3
215.03403	0.4
215.06885	0.2
217.04947	7.0
218.05630	0.3
219.06499	4.0
223.02106	0.2
223.03957	0.5
225.05521	0.6
227.03375	3.1
227.06908	0.3
229.04959	1.7
231.02924	0.3
231.06508	1.4
237.05424	2.4
241.04950	4.5
242.05695	0.3
243.02731	0.3
243.06567	0.6
245.04443	14.0
247.06049	0.2
253.04968	0.8
255.06526	0.6
257.04431	3.5
259.06052	2.1
260.05496	0.2
261.03873	0.3
263.05487	13.4
264.05939	0.3
265.04907	1.5
269.04428	5.5
270.04999	0.4
271.06000	1.6
273.03879	0.2
275.05542	1.1
277.04874	0.3
281.04391	0.7
283.05960	1.4
285.04022	0.4
287.05475	100.0
288.05823	2.7
289.06973	1.5
293.04483	0.9
295.06128	0.3
297.07300	0.3
299.05481	7.5
301.07016	0.7
303.05002	1.3
305.06393	0.6
311.05466	12.1
312.05759	0.3
313.06934	1.3
317.06595	0.4
323.05521	0.2
329.06528	0.3
331.04501	2.5
368.42032	0.2
381.73697	0.2
403.07703	0.3
407.07687	1.1
419.07733	0.3
425.08627	4.8
437.08676	3.9
443.09628	0.9
449.08698	2.9
467.09637	0.6
575.11713	1.4
590.53375	0.2
595.10925	0.9
619.10834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	0.5
67.05502	11.1
69.03413	2.3
69.07062	4.8
69.58375	4.0
71.04949	1.5
71.08625	17.8
73.02883	0.8
77.03866	0.4
79.05484	5.9
81.03410	51.6
81.07050	13.7
82.31093	0.5
83.04936	2.0
83.08610	16.6
85.02894	3.9
85.06506	0.6
85.10170	11.5
87.25282	0.5
89.06019	1.1
91.03967	3.0
91.04954	0.5
91.05470	8.2
93.07030	5.5
95.04959	15.5
95.08598	14.7
97.02872	3.5
97.06493	1.1
97.10153	4.2
98.20742	0.8
99.04414	0.5
99.11683	0.5
103.07530	1.1
105.07023	6.7
107.04935	3.2
107.08597	2.9
109.02849	0.9
109.06493	1.5
109.09535	0.5
109.10143	6.8
111.04392	1.0
111.07393	0.6
111.08056	5.3
115.05411	1.0
115.53059	0.5
117.06949	0.6
119.04885	0.9
119.08570	7.3
121.06448	1.3
121.10104	3.6
123.04385	1.4
123.08047	1.1
123.11688	3.2
123.56078	0.4
125.09590	0.9
127.03864	1.7
129.07011	5.0
131.08551	5.2
133.06427	2.1
133.10097	2.5
135.11639	0.7
137.09615	0.8
137.13203	1.3
142.07730	1.8
145.04933	1.9
145.06493	0.6
145.10101	0.8
147.08049	2.4
147.11667	4.9
149.09598	2.7
157.10104	6.3
163.06032	2.4
163.11220	0.6
165.12711	0.9
173.09622	0.6
175.11171	7.2
189.05434	0.5
193.12228	22.8
209.32227	0.5
211.13242	1.9
229.43535	0.4
235.13235	1.6
235.76828	0.5
239.23611	1.7
249.14836	1.5
257.24734	2.1
259.13333	1.9
267.15887	100.0
268.16241	1.2
273.14850	1.0
301.14224	2.2
309.16974	3.9
313.27328	96.5
314.27612	1.3
319.15167	0.7
333.17175	0.8
393.19281	0.6
505.38834	85.8
506.39005	2.9
523.39545	1.6
547.39844	7.0
565.40552	0.7
589.41034	1.0
601.41577	2.3
613.40961	1.8
631.41827	2.4
649.42853	1.0
655.41431	0.5
752.77917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5721
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	11.5
68.33797	1.2
69.03409	2.9
69.07059	4.3
70.28391	5.5
71.04981	1.8
71.08632	10.8
73.02897	2.9
79.05480	8.1
81.02947	2.2
81.03407	27.2
81.07050	17.8
83.04990	6.2
83.08612	12.0
85.02905	16.3
85.10169	6.7
91.03944	4.3
91.05481	12.1
93.07043	7.0
95.04956	13.0
95.08594	11.3
97.02861	5.4
97.06525	1.5
97.10144	3.9
105.06993	6.9
107.04948	2.5
107.08576	2.7
109.06484	2.6
109.10118	5.9
111.04394	1.4
111.08048	4.6
119.08583	7.0
120.68359	1.4
121.10117	2.7
121.74583	1.0
123.11694	1.9
127.03910	2.0
129.06970	5.5
131.08530	4.6
133.10094	4.0
133.11038	1.2
133.82234	1.1
143.78610	1.1
145.04939	2.2
147.11676	7.4
149.09644	3.6
157.10106	5.2
163.05975	2.0
175.11186	7.8
193.12227	19.8
211.13272	42.3
267.15875	16.9
285.16928	60.0
286.17023	1.8
341.30469	61.0
350.29199	1.3
440.61710	1.4
440.92148	1.4
533.41724	12.1
551.43030	100.0
552.43420	3.8
741.04211	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19994	0.4
67.05496	4.2
69.03419	4.3
69.07068	1.1
71.01339	0.7
71.05009	0.6
71.07407	0.8
71.07749	1.1
73.02912	4.9
79.05487	3.6
81.03416	3.3
81.07051	4.0
83.05018	0.5
83.08614	0.5
85.02896	7.8
91.03947	4.2
91.05495	2.8
93.07046	3.6
95.04983	1.4
95.08593	2.7
97.02880	6.6
99.04457	1.5
105.07062	1.4
107.08597	1.2
109.02879	0.8
109.10164	1.6
115.03984	1.1
117.07032	0.6
119.08608	0.8
120.19387	0.6
121.10150	1.1
127.03951	1.6
131.08591	1.2
133.10141	0.8
135.11748	0.6
145.04967	0.7
145.10045	0.6
147.11678	0.6
157.10184	0.6
185.04265	1.3
203.05313	1.1
243.08459	2.2
249.07806	0.5
251.12746	0.8
269.12466	1.0
335.25955	0.8
347.09680	2.5
365.10696	0.8
405.13791	4.7
440.70450	0.5
469.20520	4.1
519.29150	5.0
631.25159	2.7
681.34442	5.4
747.43353	1.5
909.48083	100.0
910.48322	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	909.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86256	0.4
66.95713	0.4
67.05497	3.2
69.03425	3.8
69.07059	1.0
70.16150	2.1
71.01354	0.8
71.04987	1.0
73.02911	5.2
79.05484	2.6
79.92720	0.4
81.03402	2.1
81.07045	3.6
83.04955	0.8
83.08628	0.6
85.02897	7.8
87.04467	0.4
91.03950	4.5
91.05477	2.2
93.07027	2.5
95.04980	1.0
95.08592	2.5
97.02884	6.4
99.04486	0.8
103.03938	0.4
105.07027	1.2
107.08607	1.2
109.02888	1.4
109.06535	0.5
109.10139	0.9
119.08579	0.9
119.44895	0.3
121.10162	1.1
123.11684	0.5
127.03901	2.2
131.08615	1.1
133.10126	0.7
135.11708	0.6
141.74013	0.4
147.05505	0.4
147.11699	0.7
173.18307	0.4
185.04321	0.6
193.12349	0.8
203.05336	0.9
243.08232	1.8
251.12624	0.8
335.25833	0.4
336.26276	0.7
347.09497	1.8
363.09033	0.6
365.10699	0.9
405.13528	4.3
469.20404	3.7
486.71402	0.5
519.29327	5.4
546.39331	0.5
631.25964	2.2
631.35217	0.5
681.34442	6.9
747.43146	1.2
879.56659	0.4
909.48071	100.0
910.48358	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	909.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.0
68.99786	5.6
71.70782	0.4
71.71202	0.7
79.01852	2.5
85.02836	0.3
89.46442	0.3
91.05480	3.0
97.02878	0.8
107.01304	0.4
107.04906	0.4
109.02869	0.9
110.96619	0.3
111.00106	0.5
111.00804	4.5
111.04404	0.7
115.05451	0.7
119.04930	6.0
121.02861	1.2
123.04408	3.5
125.02357	2.0
127.03916	3.4
129.07011	0.4
131.04932	0.8
133.02841	1.2
137.05923	0.8
139.03893	33.6
141.06960	0.8
143.03380	4.0
145.06453	1.2
147.04402	19.5
148.04402	0.3
149.02286	1.6
149.06020	0.6
151.03896	10.3
153.01816	67.6
154.02084	0.7
155.04887	0.4
157.06493	1.1
159.04407	0.9
161.02353	0.5
161.06001	0.7
163.03873	4.9
165.05476	0.4
169.06458	1.0
171.04382	3.7
173.06013	2.3
175.03891	5.9
177.01857	2.0
177.05432	2.9
179.03387	6.6
183.04478	1.0
185.05956	2.0
187.03960	0.5
189.05489	3.4
191.03423	1.4
193.04958	1.3
195.04436	0.5
197.05965	2.1
199.03905	8.7
201.05414	4.3
203.03377	9.1
203.07039	0.4
205.01466	0.5
205.04973	3.6
211.03963	0.9
213.05457	6.1
215.03360	0.8
215.06870	0.4
217.04955	7.3
219.04543	0.6
219.06488	3.9
223.02370	1.3
225.05476	1.2
227.03406	3.0
229.04964	2.7
231.06499	2.6
233.04411	0.6
239.03246	0.4
241.04944	4.3
243.06493	0.6
245.04446	12.7
245.06992	0.6
247.02394	0.4
253.04872	1.6
257.04425	4.5
259.05994	2.0
263.05521	5.4
263.72336	0.4
265.05173	0.4
269.04456	4.6
271.05994	3.5
275.05499	2.2
281.04306	1.0
283.05811	0.8
287.05475	100.0
288.05774	1.8
289.07111	3.3
299.05487	21.9
300.05902	0.4
303.04895	1.8
305.06726	0.7
309.50809	0.3
311.05524	2.1
317.06369	1.3
323.05530	0.5
331.04550	2.4
345.14200	0.4
407.07489	1.1
425.08667	13.7
443.09814	0.4
449.08694	1.0
575.11560	0.5
595.10938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.2
68.32390	0.1
68.99781	5.3
69.03412	0.2
69.74886	0.7
70.06586	0.2
76.59927	0.1
79.01835	1.1
79.05502	0.2
81.03429	0.1
85.02888	0.2
85.70692	0.1
89.03898	0.2
91.05475	1.2
93.03359	0.1
95.04948	0.3
97.02879	0.3
98.21457	0.1
98.31654	0.1
103.05460	0.1
105.03384	0.2
107.01287	0.2
107.04968	0.2
109.02857	0.4
111.00783	3.6
111.01503	0.3
111.04430	0.4
115.05486	0.4
117.06986	0.2
119.04932	2.5
119.05730	0.3
120.05375	0.1
121.02869	0.9
121.07467	0.1
123.04417	1.2
125.02338	1.1
127.03905	1.7
129.07016	0.3
131.04901	0.5
133.02827	0.9
135.00745	0.7
135.04393	0.4
137.02472	0.1
139.03883	29.9
140.04251	0.2
141.07013	0.2
143.03387	2.0
143.04535	0.2
143.04955	0.2
145.02782	0.2
145.06477	0.9
147.04390	7.4
149.02339	1.3
149.05933	0.4
151.03888	3.6
153.01811	31.8
154.02122	0.3
155.04880	0.3
157.06448	0.7
159.04378	0.8
161.02307	0.2
161.06007	0.7
163.03897	5.3
164.04312	0.1
165.05547	0.3
167.04849	0.2
169.06468	0.4
171.04387	4.0
173.02371	0.3
173.05960	2.2
175.03889	2.9
177.01796	0.5
177.05452	1.6
179.03375	6.4
179.06972	0.2
181.06473	0.6
183.04413	0.4
185.02344	0.2
185.05959	1.6
187.03870	0.5
188.04643	0.2
189.05464	1.9
191.03351	0.5
191.07121	0.3
193.04951	0.4
194.88046	0.1
195.04457	0.3
197.06015	1.0
199.03879	10.0
200.04556	0.2
201.05443	3.5
203.03363	5.3
203.07037	0.4
205.01454	0.1
205.04938	1.5
209.06114	0.8
211.04022	0.2
213.05455	5.2
214.05841	0.2
215.03310	0.3
215.07065	0.2
216.04216	0.1
217.04942	6.9
218.05492	0.4
219.06488	4.5
223.02257	0.4
223.04150	0.7
225.05475	0.6
227.03371	3.1
227.06889	0.2
229.04944	1.0
231.02837	0.2
231.06409	1.2
231.08022	0.1
235.06029	0.1
237.05437	2.1
239.03426	0.2
241.04924	4.5
242.05591	0.3
243.06529	0.3
245.04431	12.9
246.04877	0.2
247.05969	0.2
251.03317	0.3
253.05014	0.5
255.06346	0.7
257.04404	1.4
259.06009	1.9
263.05484	8.7
265.04922	1.8
269.04425	6.1
269.07376	0.2
270.05090	0.3
271.05963	1.8
275.05554	0.8
275.60559	0.2
281.04434	0.4
282.05255	0.2
283.05984	1.3
285.03934	0.4
286.04559	0.2
287.05466	100.0
288.05774	2.0
289.06989	2.0
293.04459	0.9
294.05368	0.1
295.05930	0.3
297.07260	0.2
299.05472	4.3
300.06058	0.2
301.07059	0.6
303.04929	1.3
305.06598	0.7
311.05466	10.2
312.05737	0.4
313.07086	0.8
317.07104	0.2
323.05493	0.2
327.04813	0.2
329.06619	0.2
331.04437	2.9
331.08224	0.3
359.08469	0.1
375.08395	0.2
389.06946	0.1
407.07663	0.9
419.07669	0.2
425.08655	3.6
431.07706	0.4
437.08667	2.1
449.08609	2.8
457.07382	0.2
467.09280	0.2
575.11719	1.2
582.72980	0.2
589.13159	0.2
599.52148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74926	0.5
69.07063	1.8
70.72973	1.4
84.04497	34.8
85.02908	1.4
86.06072	0.9
86.09698	100.0
87.10015	0.8
96.04476	0.8
97.02883	4.0
99.90707	0.5
102.05542	1.5
107.01388	0.5
125.02355	1.1
127.03907	1.0
128.07101	0.9
130.04988	6.4
131.04869	0.9
142.04993	2.9
143.03378	1.7
146.11746	71.0
147.12115	0.9
152.10710	1.5
153.01820	34.2
156.06546	1.0
159.04425	1.9
163.03946	0.7
169.08598	1.8
171.02888	0.7
177.05371	0.8
179.03366	0.6
184.13315	3.9
191.03369	0.9
197.12776	0.8
198.11269	4.4
205.04945	3.1
207.02884	3.2
212.12822	4.9
217.04927	0.6
221.04546	1.4
226.68466	0.5
233.04404	4.1
243.13373	1.7
249.03970	1.2
251.45027	0.5
257.14954	0.6
258.13336	10.7
261.03958	1.6
275.15991	78.6
276.16394	1.5
279.05087	3.5
297.06067	4.6
315.07065	7.0
319.04440	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	906.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.3
65.06307	0.5
67.05499	32.6
69.03424	3.0
69.07062	12.8
69.45615	5.2
70.72964	0.6
71.04985	2.6
73.02910	2.3
77.61563	0.5
79.05486	17.3
79.05940	1.3
80.68616	0.5
81.03408	27.2
81.07049	38.6
83.04971	7.0
83.08613	15.4
83.09084	1.2
85.02893	17.6
85.06516	1.8
87.04488	0.6
91.03945	5.4
91.05469	18.4
93.06164	0.6
93.07034	17.1
95.04958	12.3
95.08595	24.7
96.04467	0.6
97.02887	6.1
97.06519	3.3
97.10150	4.5
99.04453	1.1
99.08077	1.0
101.02349	0.6
105.07022	12.7
107.04923	3.8
107.08578	7.9
109.06503	2.4
109.10145	10.9
111.04389	0.9
111.08065	4.9
111.11722	0.8
113.06026	1.2
113.09598	0.7
117.07012	1.9
119.04926	0.8
119.08562	10.5
120.38773	0.6
120.70904	0.5
121.06561	0.5
121.10145	7.1
123.08055	1.5
123.11697	4.1
125.09579	0.8
127.03914	2.2
129.07005	4.2
131.08559	5.0
133.06500	2.1
133.10112	8.5
135.11684	2.2
137.09602	1.4
137.13194	0.8
142.07813	1.7
143.08516	0.5
145.04967	1.7
145.10144	1.7
147.04442	1.2
147.08064	1.9
147.11668	11.7
149.09592	3.4
149.13255	1.1
151.14799	0.5
157.10086	7.0
159.11752	0.7
161.13295	1.1
163.06000	2.2
163.11154	0.6
163.14859	1.2
165.12766	1.4
170.51868	0.6
175.11179	6.4
193.12225	19.1
203.78551	0.6
211.13272	25.5
227.20139	0.6
229.14763	0.6
245.22726	0.6
263.23734	2.2
267.15918	8.7
285.16937	37.0
335.25885	1.8
336.26239	0.6
337.27328	55.6
338.27701	1.4
358.38049	0.6
377.52335	0.6
455.35486	0.8
489.35956	1.3
529.38831	13.3
547.39893	100.0
548.40369	3.3
906.50873	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	906.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.3
67.05502	69.1
69.03423	4.1
69.07066	11.4
71.04993	15.4
71.70320	1.1
73.02895	2.5
79.05040	1.7
79.05487	27.9
81.03408	3.1
81.07056	35.9
83.04964	2.8
83.08615	7.3
85.02898	8.7
85.06532	2.8
86.09697	2.2
87.04461	1.3
91.03951	6.2
91.04939	1.6
91.05474	20.1
91.27062	1.0
92.05759	1.0
93.07040	34.1
95.04953	4.2
95.08028	1.5
95.08604	25.3
97.02885	4.8
97.06530	2.6
97.10158	3.1
99.04421	1.2
99.08069	1.2
105.07030	9.9
107.08581	17.9
109.06484	1.5
109.10152	54.8
110.10452	1.3
111.08051	2.7
116.36337	0.9
117.07009	3.7
119.04919	2.2
119.08569	12.9
121.10154	14.4
123.11720	2.6
127.03914	3.3
131.08571	6.5
133.10112	6.9
135.11688	14.1
137.09601	8.7
139.11217	1.2
145.04932	2.5
145.10126	7.1
147.04384	3.0
147.11664	4.2
149.13275	2.9
155.10645	1.5
157.09990	1.1
159.11638	3.3
161.13313	2.4
163.06000	3.0
163.11185	3.1
163.14752	1.1
169.12280	1.5
171.11607	1.0
173.11720	6.6
173.13271	2.9
175.14854	1.5
181.12225	1.4
184.07285	3.2
187.14745	1.3
213.14781	1.3
222.52669	0.8
243.15875	1.6
243.21013	1.1
255.15875	5.3
259.20636	1.5
261.22067	3.0
267.15768	0.9
269.17361	1.1
285.17032	1.4
287.18506	12.6
335.25763	25.9
337.27344	1.4
347.14340	0.9
404.90872	1.1
471.34677	2.7
489.35733	87.7
490.35916	3.6
497.36288	1.2
503.37131	3.1
515.37195	18.6
529.39026	1.9
533.38312	1.8
547.39935	100.0
548.40002	4.4
691.43945	2.9
906.51208	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	906.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.3
67.05502	69.1
69.03423	4.1
69.07066	11.4
71.04993	15.4
71.70320	1.1
73.02895	2.5
79.05040	1.7
79.05487	27.9
81.03408	3.1
81.07056	35.9
83.04964	2.8
83.08615	7.3
85.02898	8.7
85.06532	2.8
86.09697	2.2
87.04461	1.3
91.03951	6.2
91.04939	1.6
91.05474	20.1
91.27062	1.0
92.05759	1.0
93.07040	34.1
95.04953	4.2
95.08028	1.5
95.08604	25.3
97.02885	4.8
97.06530	2.6
97.10158	3.1
99.04421	1.2
99.08069	1.2
105.07030	9.9
107.08581	17.9
109.06484	1.5
109.10152	54.8
110.10452	1.3
111.08051	2.7
116.36337	0.9
117.07009	3.7
119.04919	2.2
119.08569	12.9
121.10154	14.4
123.11720	2.6
127.03914	3.3
131.08571	6.5
133.10112	6.9
135.11688	14.1
137.09601	8.7
139.11217	1.2
145.04932	2.5
145.10126	7.1
147.04384	3.0
147.11664	4.2
149.13275	2.9
155.10645	1.5
157.09990	1.1
159.11638	3.3
161.13313	2.4
163.06000	3.0
163.11185	3.1
163.14752	1.1
169.12280	1.5
171.11607	1.0
173.11720	6.6
173.13271	2.9
175.14854	1.5
181.12225	1.4
184.07285	3.2
187.14745	1.3
213.14781	1.3
222.52669	0.8
243.15875	1.6
243.21013	1.1
255.15875	5.3
259.20636	1.5
261.22067	3.0
267.15768	0.9
269.17361	1.1
285.17032	1.4
287.18506	12.6
335.25763	25.9
337.27344	1.4
347.14340	0.9
404.90872	1.1
471.34677	2.7
489.35733	87.7
490.35916	3.6
497.36288	1.2
503.37131	3.1
515.37195	18.6
529.39026	1.9
533.38312	1.8
547.39935	100.0
548.40002	4.4
691.43945	2.9
906.51208	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	906.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.8
67.05501	60.2
69.03434	2.5
69.07069	11.8
69.42137	9.1
69.42564	4.0
71.04977	5.8
73.02901	3.3
79.05489	32.1
81.03416	5.3
81.07050	81.7
83.04968	4.5
83.08625	11.1
85.02898	8.5
85.06543	6.3
91.03961	2.8
91.05476	23.8
93.07041	41.1
95.04963	4.0
95.08595	28.1
96.08955	1.6
97.02885	5.7
97.06528	7.1
97.10155	2.7
99.08092	2.0
105.07013	12.9
107.04977	1.5
107.08586	24.3
109.06538	3.0
109.10171	13.4
111.08080	4.4
117.07026	8.1
119.08594	7.3
121.10133	18.5
123.11704	11.0
125.09679	1.7
127.03896	1.6
131.08551	13.0
133.10126	15.1
133.95706	1.4
134.10466	1.4
135.11690	14.5
139.11145	1.6
145.04948	1.7
145.10109	5.4
147.04347	1.8
147.11664	4.1
149.13229	14.1
151.11179	3.3
157.10078	1.8
157.17439	1.2
159.11711	9.5
161.13211	3.4
163.06041	1.4
163.14827	1.9
169.12263	1.7
173.13187	3.0
177.12755	3.3
187.13312	4.3
187.14838	1.6
188.77464	1.3
194.12480	1.2
195.13803	4.4
207.17365	1.2
211.13159	2.0
243.15930	22.9
243.21275	2.2
261.22168	5.7
267.15982	2.4
269.17474	27.2
285.16953	3.1
287.18491	19.4
287.23468	1.5
317.24759	1.7
335.25772	48.1
336.26025	1.9
389.42200	1.6
503.37305	100.0
504.37540	3.6
521.38385	2.8
529.38806	11.8
546.38843	2.8
547.39886	48.8
548.40063	1.8
588.63361	1.2
691.43719	4.9
733.00104	1.3
741.39484	1.7
906.45319	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	904.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11687	0.5
65.03934	2.3
67.05495	38.8
69.03098	0.5
69.03413	5.4
69.07057	9.3
71.04990	4.1
73.02901	2.7
79.05482	35.0
81.03406	44.8
81.07043	41.5
81.07552	0.8
83.04527	0.7
83.04970	10.8
83.08125	0.7
83.08611	16.4
85.02892	25.9
85.06507	1.8
87.04440	0.5
91.03938	5.9
91.05466	28.1
93.07029	34.5
95.04340	0.5
95.04955	18.2
95.08589	25.6
96.08882	0.8
97.02332	0.7
97.02877	8.5
97.06513	3.9
97.10150	4.2
99.04421	1.0
99.08052	1.4
105.04490	0.9
105.07012	22.2
107.04929	4.4
107.08580	15.6
109.02861	0.8
109.06476	3.3
109.10139	10.4
111.04401	1.9
111.08062	7.7
113.05968	1.7
115.05455	0.7
117.06999	3.8
119.04936	0.7
119.08566	19.1
121.06437	1.1
121.09277	0.9
121.10125	16.1
123.08067	2.7
123.11687	3.5
125.09580	1.6
125.80488	0.5
127.03900	2.7
127.07469	0.5
129.06995	7.5
131.08548	13.3
133.06450	2.2
133.10106	11.9
135.08092	0.7
135.11685	6.8
137.09564	1.8
137.13205	0.9
142.07759	2.0
143.08513	0.5
145.04927	2.2
145.10121	4.9
147.08003	2.0
147.11673	13.8
149.09593	4.7
149.13255	3.5
151.11165	0.7
157.10118	10.2
159.11710	3.3
161.13231	2.3
163.05954	2.6
163.11111	1.0
163.14824	1.5
165.12706	2.0
171.11630	1.0
173.13293	3.2
175.11169	11.5
175.14801	1.4
184.07346	1.5
187.14783	1.6
189.16290	0.6
193.12218	33.1
194.12569	1.0
211.13263	62.0
212.13574	1.0
227.12846	0.9
229.14209	0.8
243.21059	3.4
261.22116	9.0
267.15891	14.6
269.17352	1.2
283.15427	0.7
285.16919	71.8
286.17468	1.9
301.25156	1.0
303.23196	0.5
317.24799	2.2
333.24316	0.7
335.25760	65.5
336.26154	2.0
351.25494	0.7
417.31210	0.9
435.32782	3.3
453.33649	3.0
471.34662	1.6
509.36008	0.8
527.37244	14.3
545.38306	100.0
546.38611	4.1
689.42688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.9
67.05498	40.1
67.43325	0.3
69.03426	4.0
69.07064	10.5
69.48537	0.9
69.48961	2.0
71.04987	3.6
73.02903	2.7
73.06551	0.3
77.03895	0.5
79.05484	31.6
80.05811	0.6
81.03409	38.8
81.07047	42.8
83.04973	9.6
83.08613	16.0
83.09002	0.3
85.02896	24.3
85.06531	1.7
85.10174	0.3
91.03960	5.7
91.04546	0.5
91.05473	28.8
93.07036	36.1
93.11848	0.3
94.07358	0.4
95.04343	0.6
95.04963	17.8
95.08596	28.5
96.04484	0.3
97.02888	7.0
97.06521	3.5
97.10162	3.6
99.04441	0.8
99.08089	1.1
101.06003	0.5
103.05453	0.7
105.07018	19.5
107.04939	4.3
107.08582	17.3
108.08958	0.3
109.02869	0.7
109.06508	3.2
109.10141	11.1
111.04410	1.9
111.08075	6.9
113.06018	1.8
115.03915	0.3
115.05463	0.9
117.07018	4.7
119.04908	0.7
119.08572	15.6
121.06477	0.9
121.10130	16.5
123.08060	2.5
123.11687	4.0
125.09624	1.8
127.03892	2.3
128.06201	0.5
129.06993	7.3
131.08562	12.2
133.06459	1.7
133.10121	12.5
135.08052	0.7
135.11685	8.2
137.09599	1.5
137.13194	1.0
142.07780	1.9
143.08551	0.8
144.06531	0.4
145.04965	2.1
145.10121	6.1
147.08072	1.8
147.11674	11.8
149.09610	4.7
149.13261	3.4
151.11162	0.6
155.08559	0.5
157.10104	10.0
159.11676	3.4
161.13210	2.5
163.06020	2.4
163.11189	1.3
163.14796	1.6
165.12733	1.9
169.10181	0.4
171.11708	0.4
173.13258	3.1
175.11174	8.5
175.14824	1.1
177.12752	0.6
177.16327	0.5
179.14331	0.4
182.00461	0.3
184.07339	0.6
185.13307	0.6
187.14864	1.3
189.11186	0.4
193.12219	26.8
194.12538	0.4
211.13268	36.1
212.13564	0.8
223.15143	0.3
227.12848	0.9
229.14304	0.5
233.54216	0.4
243.21031	2.2
249.14903	0.4
259.20563	0.3
261.22150	8.9
267.15891	10.1
267.18811	0.5
269.17368	0.7
279.23190	0.6
283.15048	0.6
285.16937	42.0
286.17249	0.8
301.21878	0.4
301.25159	0.9
317.24734	2.5
335.25769	66.8
336.26089	1.2
337.27017	0.3
417.31720	0.4
435.32507	1.9
453.33670	2.4
471.34628	0.9
497.30872	0.4
509.36044	0.5
527.37280	12.2
528.37555	0.5
545.38330	100.0
546.38959	4.2
563.39410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.6
67.05499	37.7
69.03416	1.5
69.07064	11.7
70.87685	0.5
70.88013	0.9
71.04980	2.1
71.71451	0.4
73.02911	2.6
77.03922	0.5
79.05486	22.8
81.03423	2.3
81.07050	58.1
82.07367	0.5
83.04975	4.1
83.08615	7.1
85.02899	7.7
85.06525	3.8
91.03955	4.2
91.05472	21.0
93.07039	24.6
94.07354	0.7
95.04960	3.9
95.08598	29.9
97.02892	4.3
97.06518	4.9
97.10159	1.7
99.04464	0.7
99.08089	1.8
101.06040	0.9
105.04540	0.4
105.07023	23.3
107.04937	0.9
107.08582	16.3
109.06528	3.0
109.10146	9.8
111.08076	1.7
111.11736	0.4
113.06011	0.5
117.07019	2.9
119.04932	1.3
119.08572	19.8
119.09433	0.9
121.10130	20.8
123.08081	2.9
123.10806	0.8
123.11702	17.6
125.09614	0.7
127.03925	1.7
127.07533	0.9
129.06984	1.1
131.08556	5.2
133.10123	5.9
135.11684	6.9
137.09596	1.2
137.13268	2.3
141.09132	0.9
143.08620	0.5
145.04958	1.7
145.10104	4.3
147.04436	2.7
147.11676	36.4
148.12044	0.7
149.09598	1.1
149.13229	3.3
151.11176	0.6
151.14824	0.5
155.08528	0.4
157.10193	1.9
159.11691	3.1
161.13289	2.0
163.06036	2.1
163.14827	2.3
165.12744	14.1
166.13104	0.5
173.13304	2.4
175.11177	1.6
175.14847	1.1
177.16397	0.7
183.13800	1.9
187.14838	1.2
193.12271	1.8
201.16281	0.6
211.13194	0.7
229.14334	4.0
233.19107	0.6
233.22719	0.6
243.21057	5.0
261.22137	15.9
262.22437	0.5
267.15894	50.4
268.16284	1.5
275.17166	0.4
275.20166	0.6
277.21494	0.6
279.23138	2.0
285.16949	58.1
286.17368	1.1
299.23624	0.5
308.29767	0.4
317.24683	3.0
335.25778	100.0
336.26096	3.2
353.26877	2.3
423.23715	0.5
435.32504	0.4
453.33670	0.8
471.34848	1.6
527.37292	5.4
545.38348	61.4
546.38855	3.0
563.39423	3.3
576.43658	0.5
705.34027	0.4
904.49652	1.2
905.49310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.4
66.03998	0.8
67.05498	54.0
67.54082	0.7
68.05845	1.3
69.03421	3.9
69.07063	19.0
69.38801	2.1
69.39207	7.0
71.04992	4.3
72.61789	0.7
73.02911	3.0
79.05483	33.8
81.03435	4.1
81.07048	96.3
82.07382	1.0
83.04968	6.1
83.08611	11.4
85.02892	13.1
85.06531	5.4
87.04451	1.0
91.03948	8.2
91.05470	34.5
93.07035	34.2
95.04953	6.4
95.08597	42.7
97.02893	8.0
97.06518	8.2
97.10155	2.8
99.08089	3.2
101.06002	1.0
105.07020	37.8
106.07372	0.9
107.04972	1.4
107.08582	25.8
109.06503	6.0
109.10142	15.9
111.08075	2.6
113.06015	1.6
117.06989	4.9
119.04929	3.4
119.08569	29.3
120.05274	0.8
121.10134	29.3
123.08080	4.3
123.11691	28.5
125.09638	1.5
127.03913	2.8
127.07574	2.7
129.06995	1.8
131.08551	7.9
133.10124	10.1
135.11690	9.3
137.09558	1.5
137.13248	2.8
141.09103	1.2
145.04958	3.6
145.10136	5.9
147.04395	8.9
147.11673	65.7
148.04698	1.2
148.12057	1.2
149.09587	1.7
149.13228	6.0
157.10120	3.1
159.11678	4.3
161.13266	3.3
163.06033	3.8
163.11125	1.5
163.14833	3.4
165.12735	23.6
173.11884	1.1
173.13263	4.9
173.14626	0.8
175.11253	2.2
175.14828	1.2
177.16396	1.1
179.14340	1.1
183.13811	3.0
187.14734	2.0
193.12241	1.5
211.13251	1.1
213.08922	0.9
229.14331	6.7
233.22484	0.8
243.21069	6.7
252.20447	0.8
261.22113	20.1
267.15897	66.9
268.16302	1.8
279.23209	3.1
285.16931	100.0
286.17343	2.2
317.24780	3.1
325.23703	2.8
335.25760	78.5
336.26163	2.9
353.26816	3.3
410.33710	1.0
453.33841	1.4
471.34601	1.3
527.37262	7.3
545.38324	74.6
546.38580	5.2
563.39294	3.6
576.42725	1.4
774.97290	0.9
797.59363	0.9
881.82263	0.8
897.87012	0.9
904.49463	3.9
905.50983	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	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.9
67.05501	27.9
69.03431	4.0
69.07070	6.6
71.04977	2.5
71.52083	0.6
73.02916	2.0
79.05487	19.9
81.03412	29.3
81.07051	29.4
83.04979	6.1
83.08611	12.7
85.02896	15.1
85.06510	1.6
87.04455	0.9
91.03960	3.4
91.05466	17.7
93.07036	20.8
95.04966	14.1
95.08598	18.8
96.08914	0.7
97.02878	4.5
97.06553	3.1
97.10171	2.5
98.21493	1.6
105.04510	0.7
105.07019	13.4
107.04962	3.1
107.08584	10.7
107.50890	0.7
109.06525	2.6
109.10143	8.8
111.04448	2.1
111.08058	5.4
111.11754	0.7
117.07013	3.1
119.04952	2.3
119.08574	11.4
121.06467	1.1
121.10136	11.8
123.08101	1.7
123.11710	2.3
125.09651	1.9
127.03917	1.3
129.07002	4.4
131.08560	9.7
133.06503	2.0
133.10129	7.8
135.11685	5.9
137.09657	1.1
137.13214	0.9
142.07788	1.3
145.04951	0.9
145.10152	4.7
147.04399	5.9
147.08011	1.7
147.11676	7.7
148.04785	1.0
149.09599	3.3
149.13239	1.6
157.10107	6.4
159.11691	2.7
161.13243	1.9
163.06029	1.1
163.11229	2.6
165.12764	0.9
171.37737	0.7
173.13281	2.2
175.11171	7.5
184.07300	0.6
187.14886	0.9
193.12227	22.5
211.13283	33.4
227.12805	2.4
243.21227	1.7
259.20609	0.8
261.22083	5.2
267.15866	8.3
283.15375	1.9
284.15756	1.6
285.16943	32.8
285.20114	1.7
317.24759	1.5
335.25781	37.5
336.26160	2.8
337.26364	0.8
364.02460	0.7
429.21362	0.8
435.32678	0.8
453.33521	1.4
456.20026	0.7
527.37262	9.4
543.36658	1.2
544.37390	0.9
545.38324	100.0
546.38556	4.5
562.03943	0.8
563.39349	0.8
904.48883	2.8
905.50000	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	903.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02364	0.1
65.03931	1.8
67.05498	4.1
69.03425	0.1
69.07057	0.9
71.04980	0.1
71.64046	0.1
71.64368	0.1
79.05485	2.0
81.07045	4.0
83.04977	0.1
83.08608	0.7
85.06529	0.1
91.05468	12.4
92.05810	0.2
93.07039	1.9
94.07362	0.1
95.04954	0.4
95.08593	3.2
97.06529	0.3
97.10149	0.2
99.08021	0.1
105.07030	0.8
107.04961	0.2
107.08588	1.0
109.06414	0.1
109.10139	1.3
111.08069	0.3
117.06966	0.2
119.04928	24.1
119.08562	0.5
120.05225	0.4
121.02834	0.1
121.10122	1.1
123.04412	0.2
123.11703	0.4
131.08559	0.3
132.39105	0.1
133.10114	0.8
135.11687	0.6
137.09573	0.2
139.11235	0.1
145.10123	0.3
147.04388	100.0
148.04727	1.6
149.09534	0.1
149.13242	0.2
149.77769	0.1
151.11108	0.2
159.11665	0.1
161.13165	0.1
165.05473	1.4
173.13164	0.1
185.05963	0.1
195.13809	0.1
211.07843	0.1
215.17903	0.2
221.08003	0.2
223.07523	0.1
233.18919	0.1
245.25421	0.1
246.05272	0.1
251.06989	0.3
251.20013	0.4
293.07874	0.1
307.22614	0.3
311.09119	0.2
325.23676	0.6
358.60773	0.1
380.51651	0.1
382.57422	0.1
445.32233	0.1
453.26233	0.2
471.27383	4.0
472.27509	0.1
557.41882	0.4
575.42969	4.1
576.42822	0.2
635.31305	0.2
739.47150	0.2
873.44318	0.1
903.46375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32385	0.1
65.03931	2.1
67.05500	4.5
69.07052	0.8
71.04985	0.2
77.03915	0.1
79.05486	2.3
81.07049	4.5
83.08605	0.7
85.06523	0.2
91.05472	13.3
93.07031	2.0
95.04948	0.4
95.08009	0.2
95.08597	3.0
97.06520	0.4
97.10162	0.3
99.08099	0.1
105.07021	1.0
107.04932	0.2
107.08577	1.0
109.06563	0.1
109.10133	1.4
111.08099	0.3
117.07017	0.2
119.04932	23.4
119.08572	0.6
120.05277	0.2
121.02895	0.2
121.10130	1.4
123.04395	0.3
123.11687	0.4
131.08563	0.4
133.10106	0.6
135.11708	0.5
137.09633	0.2
137.47478	0.1
141.54025	0.1
145.10129	0.4
147.04395	100.0
148.04738	1.2
149.13313	0.2
151.11134	0.1
157.06505	0.1
159.11700	0.1
165.05457	1.4
167.78804	0.1
170.99361	0.1
171.04443	0.1
185.05969	0.3
199.03897	0.2
215.17741	0.3
221.08173	0.2
223.07500	0.3
233.18935	0.3
251.07066	1.1
251.20090	0.6
269.07889	0.1
293.08044	0.8
307.22681	0.4
311.09094	0.3
325.23676	0.8
376.01172	0.1
379.23102	0.1
383.65598	0.1
389.61020	0.1
453.26099	0.2
471.27383	3.4
557.42188	0.3
575.43018	3.8
576.43274	0.3
579.10858	0.1
635.32031	0.2
739.47913	0.2
903.49377	0.3
917.46423	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	903.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75628	0.1
65.03934	1.4
67.05146	0.2
67.05502	3.8
69.07063	1.0
70.15353	0.5
71.04988	0.3
79.05492	2.2
81.07054	3.8
83.04955	0.2
83.08607	0.6
85.02895	0.2
90.12451	0.1
91.05476	10.6
91.74429	0.1
92.05804	0.2
93.07048	2.1
95.04961	0.3
95.08599	3.3
97.06528	0.4
97.10170	0.3
105.07034	0.6
106.25999	0.1
107.04965	0.1
107.08565	0.9
109.10143	1.1
111.08067	0.3
119.04936	21.9
119.08549	0.6
120.05247	0.3
121.10153	1.2
123.04437	0.2
123.11706	0.4
131.08563	0.4
133.10158	0.5
135.11693	0.6
145.10127	0.3
147.04402	100.0
147.11700	0.3
148.04726	1.4
151.11156	0.2
159.11647	0.2
165.05484	1.3
215.17906	0.2
233.18977	0.2
251.07158	0.2
251.20116	0.4
307.22620	0.5
325.23727	0.6
453.26480	0.2
471.27448	4.6
472.27689	0.2
557.42151	0.5
575.43054	5.0
576.43298	0.2
635.32098	0.1
679.51196	0.1
739.47095	0.1
806.75323	0.1
903.48315	0.7
920.77100	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	47.3
68.05851	1.0
69.03429	3.2
69.07063	15.6
71.04988	3.3
71.08632	5.1
71.43695	1.3
71.44025	1.8
73.02898	6.5
74.03257	1.2
79.05486	34.6
79.05944	1.9
81.03413	21.6
81.07053	51.6
82.03762	1.6
83.01355	6.8
83.04967	8.9
83.08618	15.3
85.02896	21.7
85.06547	2.7
85.10165	2.3
91.03952	9.6
91.04936	1.9
91.05471	22.8
93.07038	47.6
94.07409	1.3
95.04962	10.6
95.08596	34.8
96.08923	1.3
97.02885	10.5
97.06529	4.8
97.10158	4.1
99.04459	2.8
103.05447	1.3
105.07024	19.0
106.07259	1.4
107.04965	6.2
107.08583	25.2
109.06502	6.2
109.10149	16.1
111.04461	2.5
111.08074	3.4
114.36556	1.2
117.07024	9.3
119.08579	17.4
121.06501	4.4
121.10131	20.6
123.08055	4.5
123.11718	4.7
125.06007	1.3
125.09636	3.4
127.03927	5.1
128.06181	1.2
129.06992	2.2
131.08571	10.6
133.10118	8.5
135.07938	1.5
135.11688	19.3
136.06148	1.6
137.09598	2.7
137.13254	1.7
143.08546	1.8
145.04930	5.5
145.06511	1.5
145.10106	19.3
147.08005	1.8
147.11702	7.1
149.09599	1.5
149.13287	6.9
153.12770	3.4
155.08481	1.9
157.10144	2.3
159.11691	7.2
161.13248	5.5
163.06036	7.9
163.11176	20.0
163.14847	3.1
173.09593	2.1
173.13144	5.7
175.11128	1.6
175.14873	1.5
177.16307	1.4
181.12207	2.7
183.11563	1.1
187.14789	3.1
189.11279	2.8
191.10713	2.7
193.12302	5.3
201.16325	1.5
209.11644	4.0
227.12752	11.7
243.21048	5.6
259.20557	3.2
261.22131	19.5
267.15878	17.0
268.16281	9.7
269.16348	2.9
283.15399	93.7
284.15704	1.5
285.17075	1.3
293.04385	1.1
299.23676	5.3
313.27341	13.8
314.27728	11.1
315.27863	5.1
317.24802	5.6
333.24338	3.0
335.25775	99.0
336.26053	2.7
433.30688	2.1
451.32068	3.9
464.24295	1.1
469.33087	3.8
505.38828	6.3
506.39285	8.7
507.39764	8.6
515.36902	1.6
525.35553	8.2
543.36810	100.0
544.37256	2.7
549.40808	1.4
561.37952	7.1
894.39990	1.1
903.46661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.1
67.05502	30.7
69.03420	3.0
69.07063	10.2
71.04993	3.0
71.08631	3.2
71.70515	1.9
73.02901	2.0
79.05489	28.0
81.03410	8.7
81.07056	31.7
83.04979	3.6
83.08601	9.7
85.02895	4.3
85.06543	2.0
89.05996	1.4
91.03960	1.6
91.05480	12.1
93.07040	39.3
95.04942	5.8
95.08602	41.6
97.02881	4.3
97.06528	4.4
97.10146	1.4
99.04430	3.2
105.07013	10.3
107.04940	6.8
107.08582	23.5
107.09265	2.0
109.10157	11.7
111.08068	2.1
115.34624	1.1
117.07003	8.7
119.04935	1.3
119.08575	13.3
121.06492	4.8
121.10126	15.2
123.08031	1.2
123.11721	2.9
123.70249	1.2
125.06011	1.9
129.07030	1.5
130.07793	1.7
131.08543	5.5
133.10135	5.4
135.08031	1.6
135.11676	40.1
135.17487	1.1
136.06137	1.3
139.07550	1.8
143.08522	2.3
145.10118	21.5
147.11723	3.0
149.09656	1.3
149.13242	3.5
153.12781	1.4
159.11673	2.1
163.09827	2.6
163.11182	48.1
163.14827	1.5
173.13223	1.9
175.14751	1.4
179.54498	1.2
181.12215	10.0
193.12270	1.9
209.11633	1.7
227.12773	56.8
227.20062	5.7
228.20302	1.8
243.21022	1.9
261.22144	7.4
267.15887	5.6
268.16248	3.6
283.15393	92.2
313.27454	6.2
313.30624	1.4
314.27658	4.6
317.24747	1.2
335.25787	82.6
336.26324	1.9
397.72791	1.3
505.39114	1.9
506.38873	3.0
507.39810	2.7
529.38953	1.8
543.36804	100.0
544.37164	2.8
561.38019	1.8
609.76935	1.4
914.62067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02451	1.0
65.03928	1.9
67.05152	2.3
67.05499	37.4
68.08374	1.1
69.03409	4.1
69.07061	9.8
69.62974	2.1
69.63381	6.9
71.01324	1.1
71.04964	3.1
71.08609	4.7
73.02896	4.9
74.93127	1.1
79.05486	30.5
80.05826	1.1
81.03407	20.0
81.07047	39.9
82.07388	1.1
83.01333	6.7
83.04958	7.3
83.08616	14.9
85.02904	17.8
85.06519	2.1
85.10177	2.2
91.03954	8.3
91.05471	20.5
93.07037	42.8
95.04962	7.5
95.08021	1.9
95.08598	29.6
97.02882	10.3
97.06499	4.9
97.10169	5.6
99.04403	2.3
105.07015	15.4
107.04935	7.7
107.08585	21.2
109.06513	5.1
109.10146	14.3
111.04402	2.0
111.08060	4.6
111.92174	1.2
117.06982	8.9
119.08582	16.8
121.06483	3.0
121.10132	17.5
123.08076	6.4
123.11669	6.2
125.05958	1.4
125.09638	4.1
127.03893	4.3
129.06961	3.4
131.08557	10.1
133.10115	8.0
135.08069	2.4
135.11682	16.3
137.09601	2.2
137.13237	1.4
139.11214	1.2
143.08554	1.5
145.04939	4.9
145.10109	13.3
147.04428	2.7
147.08003	2.7
147.11620	6.5
149.09534	1.6
149.13226	4.7
153.12730	2.3
157.10146	2.8
159.11668	5.7
161.13260	3.9
163.06030	5.9
163.11168	17.9
163.14819	3.7
169.10075	1.2
173.09633	2.5
173.13219	4.9
175.11150	2.4
180.08461	1.1
181.12206	3.2
183.11548	1.3
187.14745	2.0
189.11186	2.7
191.10596	3.5
193.12241	3.9
194.12469	2.3
197.13197	1.1
199.14801	1.7
201.16364	1.2
209.11729	4.8
211.13242	2.3
213.41504	1.3
227.12801	11.4
243.21117	3.7
259.20465	1.3
261.22137	14.1
267.15884	15.7
268.16217	8.4
269.16510	2.3
275.20038	1.2
277.21652	1.3
283.15375	100.0
285.17044	1.3
299.23672	5.4
313.27432	8.6
314.27649	8.8
315.27844	2.7
317.24768	2.8
333.24170	3.3
335.25772	63.8
433.30865	1.9
451.31866	3.2
465.78381	1.3
469.32806	2.6
503.33047	1.2
503.44052	1.2
505.38620	7.1
506.39160	8.5
507.39645	5.5
525.35114	6.7
543.36707	56.5
561.37555	4.1
903.48669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.1
67.05502	30.7
69.03420	3.0
69.07063	10.2
71.04993	3.0
71.08631	3.2
71.70515	1.9
73.02901	2.0
79.05489	28.0
81.03410	8.7
81.07056	31.7
83.04979	3.6
83.08601	9.7
85.02895	4.3
85.06543	2.0
89.05996	1.4
91.03960	1.6
91.05480	12.1
93.07040	39.3
95.04942	5.8
95.08602	41.6
97.02881	4.3
97.06528	4.4
97.10146	1.4
99.04430	3.2
105.07013	10.3
107.04940	6.8
107.08582	23.5
107.09265	2.0
109.10157	11.7
111.08068	2.1
115.34624	1.1
117.07003	8.7
119.04935	1.3
119.08575	13.3
121.06492	4.8
121.10126	15.2
123.08031	1.2
123.11721	2.9
123.70249	1.2
125.06011	1.9
129.07030	1.5
130.07793	1.7
131.08543	5.5
133.10135	5.4
135.08031	1.6
135.11676	40.1
135.17487	1.1
136.06137	1.3
139.07550	1.8
143.08522	2.3
145.10118	21.5
147.11723	3.0
149.09656	1.3
149.13242	3.5
153.12781	1.4
159.11673	2.1
163.09827	2.6
163.11182	48.1
163.14827	1.5
173.13223	1.9
175.14751	1.4
179.54498	1.2
181.12215	10.0
193.12270	1.9
209.11633	1.7
227.12773	56.8
227.20062	5.7
228.20302	1.8
243.21022	1.9
261.22144	7.4
267.15887	5.6
268.16248	3.6
283.15393	92.2
313.27454	6.2
313.30624	1.4
314.27658	4.6
317.24747	1.2
335.25787	82.6
336.26324	1.9
397.72791	1.3
505.39114	1.9
506.38873	3.0
507.39810	2.7
529.38953	1.8
543.36804	100.0
544.37164	2.8
561.38019	1.8
609.76935	1.4
914.62067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99794	0.9
71.69658	1.7
81.03397	1.3
82.99879	1.4
83.55106	0.9
85.02859	1.2
97.02872	1.1
98.97585	2.2
101.00880	2.9
111.06943	0.9
116.98569	1.5
119.01915	14.7
120.45417	0.9
123.04380	1.6
127.02396	1.0
127.03900	3.9
131.01886	3.5
137.02922	2.2
138.01447	0.9
139.03871	5.6
142.03444	1.0
143.01878	12.3
144.01979	1.0
145.03470	9.7
151.03894	3.3
153.01779	5.0
155.01872	8.9
156.01839	0.9
157.03445	3.9
159.05067	2.3
161.02948	17.6
163.04439	1.3
167.01846	4.8
169.03458	15.5
170.99611	1.0
171.05019	7.0
173.02956	15.7
175.04431	2.0
179.01915	2.6
179.03365	2.3
181.03520	1.2
185.02942	29.3
186.03220	1.2
187.04497	21.9
188.04619	1.2
189.00748	1.4
189.02452	2.5
189.06136	1.2
196.04521	1.3
197.02921	15.4
199.04593	4.3
201.00842	1.1
203.04012	9.6
208.04567	1.4
209.02885	1.3
210.06131	1.6
211.04485	4.2
213.02438	2.5
215.04007	19.1
219.01762	1.0
221.05054	1.9
223.04466	1.9
227.03972	6.8
229.05539	2.0
231.03549	4.7
233.04988	1.8
237.02756	1.2
238.05469	1.1
239.04033	1.2
241.05164	1.1
245.05054	100.0
246.05263	4.2
247.04773	1.0
257.05014	5.9
261.02701	2.3
263.06061	12.5
271.06396	2.9
275.02496	9.7
275.06058	64.2
276.06281	2.4
279.03711	1.6
286.07779	1.5
287.02490	3.9
287.05801	10.5
288.05679	1.1
289.07336	1.5
293.03799	1.8
293.07153	8.0
299.05411	2.2
305.03580	2.2
305.07095	20.5
315.05380	1.1
316.08698	2.3
317.07074	2.5
335.04453	1.9
335.08224	14.9
347.08145	1.5
359.04483	1.4
365.09271	28.4
366.09470	1.4
377.05392	4.6
377.09631	1.7
383.10187	3.0
395.06512	8.2
423.07889	2.0
425.11472	31.8
426.11639	2.2
437.11261	2.4
455.12662	5.3
482.37784	1.0
485.13400	3.7
527.14844	1.6
539.11121	1.0
545.15240	1.5
557.12305	20.4
744.63696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.8
68.99783	3.4
70.53406	0.8
79.01849	4.0
79.05495	0.3
81.03394	0.5
89.03916	0.4
91.05499	0.2
94.76085	0.2
95.04955	0.4
97.02869	0.7
98.20773	0.2
99.20843	0.2
103.05445	0.3
105.03374	0.4
107.01316	0.8
107.04959	1.1
109.02854	0.4
111.00800	2.0
111.04419	0.7
115.05394	0.4
117.06993	0.2
119.04903	0.2
121.02852	1.1
123.00822	0.3
123.04420	8.7
125.02351	2.7
127.03898	3.6
129.06989	0.2
129.11258	0.2
131.04916	0.9
132.72569	0.2
133.02834	0.3
135.00787	0.4
135.04396	4.2
137.02318	1.4
137.05879	0.5
139.03888	37.8
140.04221	0.4
141.06961	0.5
143.03394	6.2
143.04680	0.3
143.04893	0.3
145.02826	0.6
145.06488	0.4
147.04385	1.3
149.02316	0.7
149.05939	0.4
150.03117	0.2
151.03897	4.5
153.01813	100.0
154.02141	0.8
155.04857	1.3
157.06494	0.5
159.04405	1.3
161.02286	0.2
161.05945	0.8
163.03891	14.5
164.04375	0.2
165.05649	0.2
165.06993	0.5
167.04820	0.3
168.57780	0.2
169.06436	1.1
171.04433	0.4
173.02307	0.6
173.05962	2.6
175.03876	1.1
177.05386	1.1
179.03377	15.3
180.03764	0.3
181.04942	0.5
181.06497	0.8
183.04395	1.9
184.05272	0.2
185.05980	1.3
187.03838	2.5
187.07578	0.4
189.05429	0.5
191.03391	0.9
191.06998	0.4
193.04926	0.6
193.06525	0.5
197.05949	3.1
199.03896	0.6
199.07446	0.3
201.05449	5.6
201.83334	0.2
203.03352	2.4
203.06979	1.2
205.04922	2.0
207.02818	0.4
209.05891	0.4
211.03893	0.7
211.07500	0.4
213.05441	2.2
215.03375	0.6
215.07013	0.9
217.04918	0.5
219.06506	0.6
221.05977	1.6
225.05490	2.4
227.03326	0.3
227.06955	0.2
229.04933	6.9
231.06541	0.6
233.04272	0.3
237.05455	0.8
239.07019	0.9
241.04874	1.4
243.06422	1.4
245.04453	1.8
247.06000	25.0
248.06305	0.4
249.05618	1.3
253.04945	3.1
255.06554	1.7
257.04449	2.1
258.04944	0.2
259.05936	1.4
263.05487	0.4
265.04941	0.6
267.06488	1.7
269.04443	1.7
270.05176	0.3
271.05984	57.6
272.06302	1.4
275.05365	1.1
277.04935	0.8
281.04303	0.2
283.05984	6.2
284.06461	0.5
285.07480	0.3
287.05460	7.3
289.06979	4.1
291.04971	0.7
295.05963	10.0
296.06149	0.2
297.03925	0.2
297.07452	0.4
299.05466	2.9
301.06964	1.9
303.04742	0.4
307.05887	0.4
311.05374	1.8
313.06943	2.2
315.04965	2.2
319.08090	0.5
331.04462	12.5
341.42657	0.2
355.04135	0.4
407.07468	1.2
409.09180	4.2
419.07608	0.3
421.09210	4.9
425.08661	1.5
427.10138	0.9
433.09277	3.3
437.08682	0.6
441.08087	1.6
449.08545	0.2
451.10120	1.0
465.08029	0.4
559.12354	1.4
579.11035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.4
67.05431	27.4
67.05827	1.8
69.03372	1.2
69.07055	6.5
70.18697	0.4
71.04918	10.6
71.08554	17.4
71.08976	1.2
71.15685	1.0
71.16019	0.5
73.02831	2.4
79.05482	5.5
80.87469	0.5
81.03342	1.5
81.07047	47.3
83.04897	2.2
83.08611	9.4
85.02900	7.0
85.06529	5.5
85.10171	8.9
87.04391	0.6
91.03945	3.9
91.05468	7.9
93.07037	5.9
95.04897	1.0
95.08598	16.3
95.09153	0.8
97.02907	3.0
97.06441	1.9
97.10155	4.5
97.55177	0.5
99.04398	0.8
99.07946	0.6
99.11673	0.6
105.07019	4.4
107.08585	3.4
109.02794	0.6
109.06413	0.7
109.10144	9.2
111.08018	0.6
111.11647	0.9
113.87463	0.5
117.06945	1.0
121.10041	1.8
123.11696	12.4
127.03830	2.2
131.08479	1.3
133.10117	8.3
135.11554	1.3
137.13171	1.2
144.69771	0.5
145.04834	2.1
149.13159	2.0
151.11156	5.5
151.14662	0.4
159.11560	2.1
163.05942	2.0
169.12183	1.1
177.12715	1.4
183.13687	1.7
187.13298	3.7
195.13777	1.0
201.14868	0.8
237.84818	0.5
239.23708	3.0
243.15936	0.6
257.17365	1.2
257.24588	0.6
269.15268	0.4
269.17526	3.9
301.16721	0.7
301.20044	8.8
313.27319	19.9
314.27652	0.9
341.26849	0.7
385.48441	0.5
413.21747	0.6
418.31085	0.5
426.01129	0.5
445.23859	0.9
481.38840	65.7
482.39148	2.8
495.40323	1.9
507.40369	8.0
539.43018	100.0
540.43561	6.3
625.42987	0.7
683.46954	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	895.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20224	0.4
68.99782	0.4
79.05471	1.1
81.07050	13.5
83.00862	0.8
83.01335	12.8
83.04991	2.1
91.05466	3.9
93.07025	1.3
95.04909	0.6
97.06496	1.3
99.08057	1.3
103.05448	1.0
105.06995	0.5
109.06498	5.7
111.04432	1.5
115.05434	0.5
116.79057	0.4
121.06512	1.0
123.08054	1.0
125.05975	5.1
127.07548	13.5
128.06293	0.5
129.21681	0.4
131.04924	3.9
149.05945	4.0
151.07523	1.8
152.04666	4.3
153.05432	4.7
167.07039	2.2
169.08615	6.9
177.05450	4.3
177.74283	0.4
191.08557	1.3
193.10095	1.1
195.06516	76.0
196.06927	1.0
211.11433	0.4
213.07562	39.1
214.07938	0.6
214.09872	0.5
215.10550	0.5
217.10289	0.5
219.08076	3.9
229.86882	0.6
257.11646	1.1
261.09174	0.4
292.97977	0.4
299.12759	100.0
300.12994	2.1
373.14224	0.5
387.16016	2.1
411.15845	0.6
429.16965	3.5
484.14108	0.4
519.88959	0.4
561.21942	0.6
579.23462	2.4
597.24683	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	898.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	0.9
67.05502	27.9
69.03398	1.4
69.07067	7.4
69.10824	0.4
71.04989	13.0
71.08628	15.3
71.22524	0.5
71.22842	0.9
73.02882	2.3
79.05110	0.5
79.05490	5.8
81.03391	1.0
81.07052	50.4
82.07360	0.6
83.04944	2.0
83.08614	9.3
85.02895	7.9
85.06130	0.6
85.06547	6.2
85.09705	0.7
85.10172	10.6
91.03950	5.1
91.05473	9.2
93.07028	6.5
95.04905	0.7
95.08598	15.5
97.02887	4.0
97.06534	2.8
97.10165	4.0
99.04403	0.6
99.08073	0.5
105.07014	3.9
107.08595	4.2
109.06479	0.5
109.10149	10.8
111.11698	0.6
117.07002	1.3
121.10078	1.3
123.10897	0.8
123.11703	11.7
127.03886	2.0
129.05463	0.7
131.08531	2.1
133.09206	0.7
133.10129	10.8
135.11653	1.4
137.13251	1.0
145.04929	1.7
149.13225	2.5
151.11179	5.4
151.14755	0.7
154.63449	0.5
159.11729	2.9
163.05978	1.6
169.12167	1.0
177.12706	1.9
183.13785	2.0
187.13298	4.3
195.13756	1.4
198.05803	0.5
239.23691	1.8
257.17401	1.8
257.24612	0.7
269.17450	5.0
301.20065	14.4
313.27328	14.8
314.27652	0.6
341.26883	0.6
366.21643	0.6
392.63156	0.5
481.38876	68.9
482.39200	1.5
495.40369	2.1
507.40356	7.3
539.43048	100.0
540.43494	3.3
683.47333	1.1
841.50867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60313	0.4
65.03927	2.6
67.05495	50.4
68.05840	0.5
68.41180	0.4
69.03418	2.2
69.07056	15.0
69.83444	0.5
71.01343	0.5
71.04984	2.9
71.08591	1.1
71.16831	1.0
73.02911	2.8
79.05480	30.7
80.05782	0.5
81.03416	2.6
81.07043	59.0
82.07374	0.7
82.08821	0.4
83.04963	2.9
83.08607	9.8
85.02889	12.0
85.06518	3.0
91.03951	6.5
91.05463	20.5
92.05816	0.6
93.07033	43.1
95.04959	4.5
95.08591	28.6
96.04516	0.7
97.02880	5.3
97.06519	5.2
97.10157	1.8
99.04432	0.6
99.08090	1.3
105.04533	0.7
105.07014	12.6
107.04942	0.7
107.08582	22.2
108.08912	0.5
109.06492	2.1
109.10131	11.8
111.08067	3.3
113.09619	0.4
117.06999	6.7
119.04942	2.6
119.08563	7.2
121.06470	0.9
121.10127	14.8
123.08065	1.0
123.11702	5.8
125.09611	0.5
127.03928	2.9
129.07024	1.0
129.68727	0.4
131.08557	9.8
133.10106	12.3
135.08060	0.9
135.11670	10.9
137.13248	0.8
139.11249	0.6
145.04932	2.6
145.10089	4.2
147.04396	10.7
147.11681	4.1
148.04741	1.9
149.13232	10.4
151.11177	1.4
157.10106	0.9
159.11687	7.8
161.13281	2.4
163.05997	3.3
163.11218	0.6
163.14838	1.8
173.13229	2.5
175.14842	0.8
177.12662	2.1
177.16393	0.5
179.14221	0.6
187.14861	1.2
195.13770	8.1
201.16365	0.4
211.14732	0.5
213.14781	0.8
233.22708	0.5
243.21045	3.0
253.17932	0.6
259.20471	0.5
261.22116	8.3
267.15823	1.3
269.17441	46.0
270.17734	0.9
317.24646	2.5
333.24197	0.6
335.25751	79.5
336.26126	3.2
419.32843	0.5
437.34058	2.0
455.35159	1.8
473.36386	0.6
511.38159	0.9
529.38818	100.0
530.39148	6.5
547.39899	2.1
593.60767	0.5
673.43201	0.8
696.11963	0.5
700.34155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.9
67.05498	44.2
68.05814	0.4
69.03425	1.2
69.07060	12.0
71.01335	0.5
71.04985	2.8
71.08604	0.7
73.02905	2.6
77.03937	0.4
79.05486	27.4
80.05823	0.4
81.03413	1.5
81.07048	57.9
82.07394	0.9
83.04970	2.8
83.08112	0.7
83.08609	10.5
85.02897	8.1
85.06519	2.7
91.03950	5.0
91.05470	15.5
93.07034	44.5
95.04957	4.7
95.08595	26.1
97.02886	3.6
97.06514	7.4
97.10134	2.0
98.21467	0.9
99.04440	0.6
99.08085	2.0
105.07016	8.6
105.07718	0.5
107.04948	0.7
107.08582	25.8
108.08884	0.5
109.06520	1.4
109.10136	9.4
111.08070	3.9
111.11691	0.8
113.05983	0.5
113.09635	1.0
115.03896	0.4
117.07005	6.0
119.04970	0.6
119.08572	6.2
121.06487	0.8
121.10130	18.7
123.08060	0.8
123.11709	4.6
125.09624	0.5
127.03920	1.8
127.07588	0.5
129.07050	0.4
131.08549	7.9
133.10127	7.5
135.08044	1.3
135.11682	10.2
137.09619	0.7
137.13345	0.7
139.11186	1.1
143.08589	0.7
145.04944	1.7
145.10120	3.3
147.04367	1.9
147.11662	4.3
149.09650	0.8
149.13240	23.6
151.11209	0.8
154.52829	0.4
159.11682	10.6
161.13252	1.5
163.06046	1.9
163.14824	2.1
165.12756	1.2
167.14331	0.4
173.11935	0.4
173.13245	2.5
175.14786	0.9
175.76672	0.4
177.12732	4.3
177.16364	0.5
187.14847	1.2
195.12047	0.3
195.13768	8.7
195.15405	0.7
201.16295	0.5
202.64857	0.4
213.14851	0.9
243.21001	2.8
247.72656	0.4
261.22113	9.3
262.22479	0.4
267.15918	2.5
269.17450	97.4
270.17834	1.7
271.19095	0.6
299.23322	0.4
317.24728	2.3
320.92471	0.4
333.24036	0.5
335.25763	56.8
336.26239	1.4
374.71414	0.4
437.34216	1.8
455.35062	1.4
473.36078	0.9
489.36005	0.6
490.99359	0.5
511.37723	0.7
529.38837	100.0
530.39008	4.3
547.39862	2.3
589.77142	0.4
656.24835	0.4
676.43719	0.4
888.50073	2.1
909.37158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.0
67.05499	45.6
67.81290	0.6
69.03391	2.3
69.07070	6.1
71.04987	13.2
71.08625	15.6
73.02871	2.3
76.99394	0.6
79.05486	5.7
81.03394	1.0
81.07053	16.3
83.04951	1.9
83.08614	8.2
85.02895	8.5
85.06490	1.7
85.10175	9.0
88.65423	0.6
91.03941	4.6
91.05467	6.6
93.07030	7.3
95.04914	0.8
95.08595	16.5
97.02888	4.3
97.06516	1.3
97.10146	3.7
98.20638	0.8
99.08082	0.5
99.11720	0.7
107.08592	4.0
108.05675	0.6
109.10146	43.1
109.13390	0.6
111.08071	1.4
112.75022	0.6
117.06993	1.2
119.08564	5.5
121.10136	1.4
123.11690	3.2
125.27531	0.6
127.03880	2.1
135.08044	0.6
135.11697	5.4
137.09583	6.7
137.13248	0.7
145.04929	2.0
145.10100	1.8
145.20518	0.7
155.10620	1.7
163.05983	2.6
163.11131	2.0
169.12210	1.2
173.11752	6.8
181.12212	1.3
185.11012	0.8
187.13309	0.8
222.37309	0.6
237.14606	0.6
239.23688	1.9
242.27866	0.6
243.16002	1.1
255.15953	4.7
287.18500	17.2
313.27332	16.0
314.27740	0.8
346.23904	0.6
431.22861	1.1
467.37302	79.2
468.37830	3.6
481.38876	2.2
493.38754	5.3
495.40689	1.0
507.40512	0.9
525.41461	100.0
526.41791	4.7
587.46429	0.8
598.08136	0.7
618.03412	0.7
622.35315	0.6
653.24420	0.6
669.46808	0.7
746.51459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.3
67.05157	1.1
67.05498	18.0
69.03408	3.0
69.07064	3.8
71.01343	0.9
71.04972	2.9
71.16325	1.8
73.02912	1.9
79.05485	18.9
81.03409	82.4
81.07047	19.9
82.03710	0.9
83.04980	9.4
83.08611	19.4
85.02465	1.0
85.02905	11.2
85.06525	1.5
91.03932	1.7
91.05471	25.5
93.07034	13.7
95.04961	29.1
95.08590	8.7
97.02882	4.0
97.06506	2.8
97.10146	5.8
97.25546	0.8
105.06378	0.8
105.07018	18.4
107.04942	8.7
107.08584	7.3
109.06500	5.6
109.10177	3.8
111.04416	2.2
111.08063	8.1
111.31403	0.7
113.06013	1.8
115.05418	1.7
116.81068	0.7
117.06961	2.1
119.04904	1.4
119.08567	16.1
121.06489	5.1
121.10117	7.8
123.04375	0.8
123.08048	2.8
123.11700	1.3
125.09590	4.5
127.03936	0.9
128.06235	0.9
129.06993	11.3
131.04909	1.9
131.08562	11.2
133.06480	4.1
133.10132	9.1
135.07994	2.2
137.06003	0.7
137.09596	2.0
141.07040	1.2
142.07764	4.2
143.08536	1.7
145.05171	0.7
145.06464	5.0
145.10098	2.8
147.04382	1.0
147.08018	4.6
147.11653	8.4
149.09599	7.1
151.11160	0.9
155.08578	1.1
157.10103	13.6
159.08037	1.4
161.05952	1.0
161.09601	0.9
163.06003	1.0
163.11163	1.8
165.12735	2.6
171.07968	1.5
171.11732	1.1
173.09550	1.3
175.11176	14.0
180.87114	0.6
189.11217	1.1
189.12759	1.6
193.12231	30.9
195.11679	2.1
199.11325	0.8
203.14450	0.7
205.12222	1.3
209.13237	1.0
211.11281	1.3
211.13252	13.1
222.83777	0.7
227.14394	1.2
229.14351	1.3
233.15457	1.0
237.12871	1.0
243.13632	0.9
249.14827	2.0
255.13759	2.2
260.45767	0.8
267.15891	100.0
268.16272	2.7
273.14841	4.9
285.16904	12.2
301.14496	1.3
323.20154	0.8
341.20926	2.0
349.21600	2.4
357.24258	0.8
367.22672	8.2
385.23715	10.1
403.24579	2.9
405.24365	1.1
408.42239	1.1
415.24744	1.1
433.25815	18.8
434.26218	1.5
441.26382	6.5
459.27390	75.6
460.27881	4.1
477.28433	43.3
478.28879	3.0
491.29572	1.0
501.28204	1.2
519.29089	2.0
567.29425	1.0
585.30518	1.6
603.31604	1.3
621.32202	0.9
687.49750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.171
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07157	0.4
65.03954	0.8
68.99785	5.6
79.01839	1.0
97.02876	0.5
98.21455	1.1
107.04951	0.6
109.02817	0.5
111.00792	4.7
111.04423	0.6
121.02058	0.7
121.02859	7.0
121.47077	0.4
123.04412	1.1
125.02345	1.2
127.03904	1.7
131.04956	0.5
133.02834	0.9
135.00740	0.9
135.04382	0.8
139.03886	32.9
143.03392	1.8
145.06480	0.9
147.04404	1.8
149.02313	0.9
149.05984	0.5
150.03108	0.4
151.03896	3.3
153.01814	28.7
153.02901	1.1
157.06453	0.9
159.04376	0.8
161.05965	1.0
163.03879	5.7
169.06506	0.7
171.04405	3.5
173.06009	1.9
175.03859	3.0
177.01839	0.6
177.05507	1.7
179.03392	7.0
179.04826	0.4
181.06519	0.5
185.05917	1.6
187.03912	0.7
189.05424	2.5
191.03371	0.6
197.05980	0.7
199.03885	10.5
201.05449	3.7
203.03377	5.5
205.04916	1.5
209.05901	0.6
213.05447	5.3
214.05608	0.4
217.04918	6.8
219.06503	4.2
223.03999	0.7
227.03307	3.0
229.04985	1.4
229.86583	0.4
231.06535	1.6
237.05409	2.5
241.04907	4.2
245.04445	13.4
245.06972	0.7
253.04967	0.6
255.06493	0.6
257.04395	1.9
259.06070	2.1
263.05463	10.3
265.04858	1.2
269.04431	5.0
271.05981	1.8
275.05518	1.3
277.35757	0.4
281.04376	0.6
283.06003	1.4
287.05475	100.0
288.05841	1.3
289.06979	1.3
293.04507	0.8
299.05466	4.5
301.07205	0.8
303.04999	1.4
311.05478	12.0
313.06992	1.1
323.05536	0.4
331.04599	2.6
403.07947	0.4
407.07544	0.9
421.04816	0.5
425.08655	3.8
437.08728	2.9
443.09647	0.5
449.08786	2.4
467.10254	0.5
496.90594	0.4
575.11401	1.3
652.29138	0.4
737.19537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73378	0.3
65.03932	0.4
67.05495	14.0
68.24264	0.2
69.03409	3.0
69.06705	0.4
69.07056	6.6
70.28064	0.6
70.28474	1.0
71.01344	0.3
71.04982	2.4
71.08620	15.1
73.02902	2.6
73.91332	0.3
75.04465	0.4
79.05481	10.6
81.03407	31.9
81.07044	19.3
81.21209	0.3
83.04971	7.0
83.08607	16.4
83.73131	0.3
85.02893	20.5
85.06506	1.2
85.10169	8.5
87.04446	0.5
89.05993	1.0
91.03946	5.6
91.05467	14.8
93.07027	8.5
95.04956	12.4
95.08591	15.1
96.04492	0.4
96.08928	0.3
97.02879	7.0
97.06520	1.8
97.09596	0.5
97.10159	4.5
99.04435	0.8
99.08054	0.7
99.11727	0.3
99.75579	0.3
101.05965	0.3
103.05444	0.4
103.07545	0.8
104.67419	0.3
105.07017	11.4
107.04930	3.6
107.08575	3.6
109.02843	0.3
109.06508	2.3
109.09426	0.4
109.10141	6.2
111.04401	1.3
111.08064	5.6
111.08816	0.4
111.11692	0.6
113.06006	1.4
113.13210	0.3
115.03906	0.4
115.05463	0.7
117.06963	0.5
119.04926	0.3
119.08566	9.3
121.06467	0.6
121.10121	4.4
123.08016	1.2
123.10876	0.4
123.11683	3.0
125.05917	0.3
125.09598	0.6
127.03893	2.5
127.07540	0.5
129.06104	0.4
129.06981	5.4
131.08549	5.3
131.46439	0.2
133.06464	1.5
133.09201	0.4
133.10117	5.4
135.11662	0.5
137.09599	1.0
137.13193	1.0
142.07761	1.2
145.04938	2.4
145.10088	1.1
147.08031	1.4
147.11658	8.0
149.09610	3.9
151.11237	0.3
157.10101	8.3
163.05975	2.7
163.11179	0.5
165.12762	1.7
175.11172	9.1
193.12222	25.3
194.12595	0.3
211.13268	46.0
212.13741	0.4
233.21877	0.3
239.23695	1.7
249.14806	0.6
257.24731	0.9
267.15881	17.5
268.16196	0.4
285.16925	62.4
286.17334	1.0
300.12988	0.4
313.27322	65.0
314.27542	1.3
395.44101	0.3
505.31097	0.4
505.38809	15.5
523.39880	100.0
524.40063	3.2
597.59106	0.3
704.89648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	22.8
69.03417	1.9
69.07054	15.8
71.04974	2.1
71.08627	18.2
73.02914	2.3
75.12906	0.9
79.05480	10.0
81.03416	1.4
81.07050	57.1
83.04978	3.7
83.08603	11.0
85.02888	11.3
85.06532	3.9
85.10175	10.3
89.06014	1.4
91.03963	5.8
91.05475	14.4
93.07034	8.7
95.04921	2.4
95.08019	1.9
95.08596	25.6
97.02866	5.0
97.06523	3.8
97.10163	3.1
98.20685	2.5
99.08078	2.9
103.07568	1.2
105.07016	24.4
107.08589	8.1
109.02885	1.2
109.06511	3.4
109.10155	6.6
119.08573	17.7
121.10133	14.6
123.08067	3.1
123.11693	21.2
125.13272	1.2
127.03902	1.9
127.07554	2.8
128.83913	1.0
129.07043	1.2
131.08594	1.2
133.10155	2.2
137.02820	1.0
137.13283	1.9
141.09041	1.3
143.43216	1.0
145.04980	2.6
147.11673	51.9
148.12079	1.2
155.36110	0.9
157.10075	1.7
163.06024	3.0
165.12732	19.0
175.11197	2.4
183.13838	1.6
193.12099	1.2
229.14343	4.0
239.23697	2.8
257.24588	1.9
267.15891	80.6
268.16245	1.8
285.16940	88.3
313.27347	94.8
314.27844	2.0
331.28455	2.2
393.25824	1.0
523.39917	100.0
524.40131	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	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03897	1.0
66.97358	0.2
67.05498	14.3
69.03426	2.8
69.07060	7.3
71.01325	0.2
71.04988	1.9
71.08624	19.0
73.02911	2.4
74.09673	0.2
79.05486	10.5
81.03409	29.3
81.07049	20.0
83.04977	6.1
83.08611	16.2
85.02895	19.7
85.06522	1.3
85.10172	10.5
87.04418	0.6
89.06036	1.4
91.03954	5.4
91.05471	13.5
93.07034	7.1
95.04335	0.3
95.04958	11.3
95.08595	17.1
97.02264	0.3
97.02877	5.4
97.06511	1.9
97.10159	4.9
98.21502	0.5
99.04430	0.7
99.08045	0.8
99.11689	1.0
101.05975	0.3
103.03941	0.3
103.05460	0.4
103.07538	0.8
104.69878	0.2
105.07021	10.1
107.04941	2.9
107.08596	2.9
109.02842	0.5
109.06519	1.9
109.09454	0.4
109.10146	6.7
111.04388	0.9
111.08077	4.6
111.11679	0.7
113.05994	1.2
113.13242	0.3
115.03896	0.2
115.05396	0.5
117.06976	0.4
119.04920	0.3
119.08569	8.5
121.06471	0.9
121.10123	4.3
123.08070	1.3
123.11691	3.5
125.09636	0.5
125.13210	0.4
127.03907	2.0
128.20125	0.2
129.06992	4.6
131.08549	5.3
133.06468	1.2
133.10109	5.5
135.08018	0.4
135.11667	0.5
137.09560	0.8
137.13210	1.0
142.07770	1.4
144.06633	0.2
145.04941	1.9
145.10086	1.2
147.08003	1.4
147.11678	7.1
149.09602	3.6
151.11118	0.2
157.10115	7.3
163.05959	1.9
163.11165	0.6
165.12788	1.4
175.11172	7.8
193.10382	0.4
193.12224	22.0
211.13277	26.1
212.13560	0.3
239.23691	2.0
249.14825	0.6
257.24814	1.7
267.15894	14.3
285.16937	35.9
286.17267	0.3
298.27243	0.3
313.27335	73.3
314.27774	1.2
453.37772	0.2
461.96429	0.2
505.38843	17.7
506.39136	0.3
523.39899	100.0
524.40204	2.6
843.88037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54347	0.5
67.05499	11.0
69.03420	2.4
69.07053	5.2
70.42312	2.3
71.04980	2.1
71.08624	12.1
73.02893	1.4
79.05482	7.2
81.03408	26.9
81.07045	15.8
83.04977	5.8
83.08608	14.9
83.09084	1.0
85.02895	13.6
85.06519	0.6
85.10178	7.1
87.04445	0.7
91.03934	3.7
91.05470	9.6
93.07031	5.8
95.04957	11.2
95.08597	11.4
97.02865	4.0
97.06506	1.4
97.10168	3.1
97.89352	0.5
99.04447	0.9
105.07022	8.0
107.04948	2.2
107.08593	2.4
109.06506	1.4
109.10161	5.1
111.04426	1.1
111.08066	4.4
111.11739	0.6
113.05973	1.1
117.07013	0.8
119.08568	7.9
121.06524	1.0
121.10165	3.3
123.08060	1.1
123.11645	2.6
125.09634	0.9
127.03910	1.1
129.06963	3.3
131.08568	5.2
133.06543	1.0
133.10068	3.6
137.09644	0.9
137.13191	0.9
142.07777	0.9
145.04945	1.9
145.10065	1.1
147.08034	1.1
147.11679	6.7
149.09599	2.9
157.10118	5.2
163.06007	0.9
165.12776	1.3
175.11160	6.9
193.12221	19.4
211.13264	25.1
239.23734	1.2
249.14868	0.7
257.24817	1.6
267.15875	11.1
283.15332	1.1
284.15955	0.9
285.16928	25.0
313.27322	38.1
314.27689	2.0
400.05984	0.6
486.63898	0.6
494.96896	0.6
505.38794	8.2
522.38464	1.2
523.39880	100.0
524.40112	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	880.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.3
65.99267	0.8
67.05493	10.8
69.07066	8.4
69.58471	7.9
71.05009	1.0
71.08253	1.2
71.08627	16.0
73.02914	1.2
79.05486	9.6
81.03410	1.9
81.07050	16.3
83.04958	1.9
83.08607	8.2
85.02892	2.9
85.10172	9.4
89.06038	1.3
91.03969	1.2
91.05479	3.6
93.07036	17.4
95.04944	2.6
95.08010	1.9
95.08600	25.8
97.02895	3.3
97.06532	1.6
97.10165	3.3
99.04450	1.6
103.07555	1.2
105.07028	3.2
107.04951	3.5
107.08584	14.5
109.10140	7.1
111.11637	0.9
117.07011	3.3
119.08584	4.9
121.06517	2.8
121.10133	5.5
123.11701	2.6
125.05974	1.3
133.10172	1.0
135.11685	27.7
135.51680	0.9
137.13246	1.7
139.07556	1.2
145.10112	15.8
145.46684	0.9
160.07660	0.9
163.11174	36.1
176.33752	0.7
181.12196	7.2
227.12770	34.9
228.13223	0.9
257.24750	1.9
268.16214	0.9
283.15381	42.4
313.27341	100.0
314.27692	4.1
506.39035	1.0
521.38348	95.9
522.38489	4.9
644.61682	1.0
745.68433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.7
62.28802	0.5
67.05502	11.4
68.91754	0.6
69.03400	0.9
69.07063	7.0
71.04967	1.5
71.08627	14.1
71.72012	0.9
73.02883	1.4
79.05054	0.8
79.05487	11.5
81.03376	1.8
81.07054	16.2
83.04935	2.1
83.08612	10.5
85.02891	3.0
85.06525	0.7
85.09695	0.6
85.10171	8.4
89.06039	1.1
91.03919	2.2
91.05473	4.3
92.12654	0.5
93.06452	0.8
93.07040	19.4
95.04979	3.4
95.08601	30.7
97.02887	3.9
97.06481	1.7
97.10179	3.2
99.04417	2.5
105.07021	4.2
107.04966	4.0
107.08588	17.5
109.06479	1.0
109.10149	6.8
111.04412	1.1
111.11653	0.8
113.06002	0.8
117.07001	4.9
119.08573	6.1
121.06524	3.5
121.09402	0.7
121.10143	8.5
123.11694	2.9
125.05966	2.2
127.03874	0.8
130.07732	1.0
131.08623	0.6
133.10097	0.7
135.08029	1.7
135.11685	29.2
136.12006	0.5
137.13194	1.3
138.73344	0.5
139.07518	1.5
144.12518	0.5
145.04950	1.1
145.09003	1.0
145.10115	19.0
151.14761	0.6
158.30327	0.6
162.01860	0.5
163.05937	0.6
163.11182	42.6
164.11479	1.5
166.40849	0.5
173.09607	0.7
181.12233	7.3
195.06517	1.1
209.11609	1.1
224.75252	0.5
227.12769	48.5
228.13069	0.8
239.23663	1.1
257.24765	1.7
268.64505	0.7
283.15393	87.4
284.15750	1.6
299.12643	0.8
313.27347	88.0
314.27667	2.8
393.25989	0.6
404.51312	0.5
521.38354	100.0
522.38599	4.7
620.02332	0.6
686.45294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	8.7
67.05502	12.2
69.03410	2.1
69.07061	5.2
71.01338	0.8
71.04977	2.4
71.08624	14.7
71.24061	0.6
71.72546	0.7
71.72977	0.8
73.02888	2.8
79.05095	0.9
79.05490	9.2
81.03416	6.9
81.07049	17.8
81.12070	0.6
83.01320	5.5
83.04982	6.2
83.08115	0.8
83.08611	12.2
85.02900	13.2
85.09754	0.9
85.10181	9.6
88.39789	0.7
89.06014	0.8
91.03956	6.1
91.05468	7.3
93.07037	15.4
95.04966	5.2
95.08604	15.9
97.02890	8.9
97.06514	2.7
97.10149	3.7
99.04451	3.3
103.07549	1.3
105.07022	5.0
107.04938	4.9
107.08594	7.4
109.02848	0.9
109.06512	4.3
109.10149	4.7
111.04418	1.9
111.08059	1.5
111.11708	1.1
117.07015	3.5
119.08582	5.4
121.06491	1.8
121.10111	3.7
123.08061	5.9
123.11709	1.6
125.05988	1.4
125.09554	0.8
127.03900	3.0
131.08542	1.9
135.08073	1.1
135.11710	7.7
137.09637	1.0
137.13271	0.7
142.47926	0.7
145.04944	3.4
145.10114	10.0
147.08014	1.4
153.12727	1.8
163.05989	3.8
163.11188	13.8
173.09622	2.0
181.12219	2.2
191.10651	1.5
209.11642	4.3
227.12740	4.2
239.23677	1.4
250.04570	0.7
257.24680	0.9
283.15387	100.0
284.15756	2.1
313.27344	75.3
314.27768	3.0
521.38330	51.7
522.38098	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	880.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58427	1.0
65.03937	14.7
67.05488	2.9
68.99781	1.5
69.03417	2.2
70.83906	2.3
70.84267	2.3
73.02917	1.1
73.86546	1.0
75.04453	3.0
78.00575	1.1
78.04690	1.7
79.05473	3.3
81.03394	2.4
82.04179	2.4
85.02891	4.7
89.03882	1.0
91.05474	8.7
93.03406	9.7
93.07032	2.9
94.04146	1.3
95.01287	2.1
95.04983	6.3
97.02880	1.4
97.06508	2.9
103.05454	15.9
105.03367	1.0
105.04459	1.3
105.07010	4.3
106.03529	1.4
106.04171	15.6
107.04942	10.6
107.17914	0.9
108.02068	2.3
109.02872	1.7
109.06497	1.6
110.03655	13.4
111.04436	20.5
115.05434	3.6
117.07021	3.6
118.04134	4.3
119.04936	2.0
121.02856	1.2
121.06490	21.5
122.03664	1.9
123.04389	4.2
124.05206	1.8
125.05980	25.1
127.03901	2.7
128.06248	2.0
129.06981	4.7
131.04913	22.8
133.06470	6.3
134.03618	3.6
135.04376	3.6
135.08009	1.8
137.04956	2.0
137.05966	30.3
138.03079	1.5
139.03929	4.8
139.07547	1.5
141.05478	1.7
143.04919	2.2
144.05673	1.5
145.02890	1.2
145.06451	4.4
146.03615	2.1
147.04385	1.5
148.05171	9.1
149.02319	1.4
149.05977	31.5
151.03894	56.9
151.04977	2.5
151.07524	3.3
152.04456	1.2
153.05449	69.9
153.09090	8.9
154.19800	1.0
158.07240	1.3
159.08029	7.0
161.05962	7.5
161.09596	3.1
162.01305	2.5
163.03978	5.7
163.07520	15.9
165.05478	3.6
165.06792	1.5
167.07028	33.6
171.04375	4.9
173.05977	4.0
174.06741	2.2
175.07541	8.4
176.04648	2.9
177.05453	20.7
177.08838	1.2
178.06090	1.1
178.07729	2.0
179.01674	1.0
179.03424	1.5
179.06985	1.9
181.04948	20.8
181.08559	18.0
185.05986	1.2
186.06775	12.5
187.07512	7.8
189.05426	2.6
189.09061	1.3
190.00803	3.7
190.06241	1.5
190.07835	1.3
191.07010	77.6
191.08482	3.1
192.07692	1.5
193.08582	2.2
195.06506	3.3
199.07481	3.6
201.05400	1.5
203.06979	2.7
203.08626	1.9
204.07706	1.3
205.06548	2.6
205.08438	1.9
206.07222	2.5
207.06476	2.4
207.08551	1.2
208.01857	2.7
208.08832	1.6
209.08063	100.0
210.08466	1.6
211.07423	1.2
216.07796	7.2
217.08478	1.1
218.07249	2.2
219.08034	7.8
219.09944	1.7
220.08792	3.1
221.05899	3.0
221.09653	6.4
223.04211	39.3
223.07460	1.8
225.09122	2.1
229.08588	8.9
231.08054	1.6
233.05962	2.0
233.07939	2.5
234.06691	2.2
235.07536	5.9
236.08267	10.5
237.09128	4.7
247.07536	4.9
248.08200	2.4
249.05473	2.5
249.09088	7.3
250.09750	1.5
251.06950	1.4
251.07924	1.5
251.10646	19.3
252.11263	3.7
253.08658	4.8
261.09137	2.3
262.06238	1.2
263.06839	2.7
263.09088	12.8
264.07825	11.1
265.08575	10.3
266.09018	2.0
267.10123	2.1
268.10898	4.2
275.07111	2.2
276.07748	8.0
277.08606	10.8
278.09256	4.0
279.06946	1.5
279.10156	14.1
280.10760	2.0
281.08035	3.1
281.11679	5.3
282.12341	1.5
283.10269	1.9
283.13260	12.3
287.05487	2.3
290.09500	1.4
291.10107	3.1
292.07288	5.5
293.07983	5.4
293.11334	1.8
294.08932	2.4
295.09637	3.5
296.10376	2.5
304.07150	1.3
307.09607	63.5
308.10406	8.5
309.11093	6.5
310.11957	1.7
311.12729	11.6
312.08908	8.4
313.14465	2.0
319.09540	4.6
321.11185	2.6
323.12753	2.3
324.09799	2.5
325.10629	3.6
325.14163	2.6
327.12119	2.4
330.10071	3.2
337.10727	5.8
338.11264	1.4
339.12250	90.6
340.12842	6.6
341.13812	20.5
351.12262	13.9
352.12946	1.9
353.13727	5.8
355.11661	4.0
357.13181	3.9
359.14804	1.3
369.13290	24.2
370.14001	3.4
371.14838	3.4
387.14359	50.6
388.14517	2.1
519.18719	3.7
549.19501	2.0
579.21552	1.7
624.74939	1.2
636.04822	1.1
845.23456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.4
65.03938	0.9
65.82144	0.6
67.05496	34.5
69.03418	1.3
69.07062	9.8
71.01333	1.5
71.04971	2.1
73.02897	2.3
79.05484	28.1
81.03407	2.8
81.07046	28.9
82.74509	0.6
83.04970	8.4
83.08604	4.3
85.02899	5.6
85.06537	1.8
91.03944	4.0
91.05465	12.4
93.07034	38.4
95.04952	2.5
95.08595	19.2
96.47803	0.6
97.02877	2.6
97.06516	7.3
97.10150	5.1
99.04465	0.7
99.08072	1.4
105.07013	7.7
107.08577	24.6
109.06490	1.0
109.10142	8.6
111.08070	2.4
111.11775	0.6
117.06992	4.6
119.08573	7.1
121.06507	1.2
121.10137	11.5
123.11704	2.9
125.09612	1.2
127.03881	1.7
131.08531	4.5
133.10124	5.8
135.11673	28.2
137.09673	1.1
137.13217	0.8
145.04965	1.6
145.10091	6.8
147.11664	2.5
149.13243	3.3
151.11200	1.1
153.12717	4.1
159.11699	2.3
161.13271	1.8
163.06071	1.3
163.11122	3.6
163.14827	1.1
173.13219	2.2
175.14798	1.0
177.16310	1.2
181.12212	5.8
184.07349	1.3
185.13376	0.8
187.14761	1.1
199.13278	2.1
227.12518	0.7
227.20149	1.4
241.19582	0.7
243.21092	2.5
253.14395	1.8
255.15887	53.2
261.22153	8.9
317.24741	2.2
335.25760	47.9
336.26270	0.7
343.47522	0.7
347.26093	0.7
349.95129	0.7
423.32770	2.0
441.33350	1.3
497.36356	1.4
515.37274	100.0
516.37500	2.6
533.38293	3.9
691.92059	0.9
852.14160	0.8
874.45386	1.2
875.46033	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.5
64.09072	1.5
65.03926	5.4
67.05498	100.0
69.03419	11.1
69.07059	59.0
69.73135	4.5
69.73547	6.7
71.04975	6.4
73.02895	2.0
79.05486	70.5
81.03411	15.6
81.07045	86.4
83.04978	15.7
83.08601	16.7
84.23744	1.6
85.02884	7.9
85.06521	5.2
91.05468	73.5
93.07031	69.3
95.04391	2.4
95.04958	20.8
95.08013	3.1
95.08596	49.3
97.02883	8.6
97.06516	19.5
97.10165	13.1
99.04425	3.8
99.08059	4.3
105.07011	55.1
107.04947	15.2
107.07821	2.2
107.08578	38.5
108.09026	1.8
109.02856	2.6
109.06510	10.8
109.10140	32.5
111.04449	2.6
111.08061	8.1
113.05979	1.8
113.09618	3.4
115.05462	3.3
117.07009	19.8
119.08568	41.9
121.06483	6.9
121.10136	22.0
123.08052	6.2
123.11700	4.5
125.09601	12.1
127.03893	4.0
128.06221	2.8
129.05469	4.0
129.06975	12.0
130.07773	2.8
131.04819	1.6
131.08554	25.9
133.06525	4.0
133.10127	30.8
135.08026	6.2
135.11671	20.2
137.09627	13.3
141.06969	5.7
143.08524	6.9
145.06532	2.6
145.10104	23.4
147.08012	4.2
147.11658	15.1
149.09607	24.5
149.13232	10.5
151.11143	4.8
153.09035	1.8
155.08549	5.7
155.10602	1.8
157.06522	2.0
157.10103	8.5
159.11642	17.2
160.12213	1.7
161.09619	4.7
161.13208	7.3
163.11185	14.6
165.09073	1.7
165.12749	3.0
167.10651	2.2
169.10075	4.2
171.10341	2.2
171.11725	7.0
173.04443	3.3
173.09689	2.1
173.11694	9.6
173.13237	7.7
175.11148	3.9
175.14793	2.5
177.12753	7.6
179.14337	5.9
181.10114	2.6
181.12096	1.9
183.11633	4.8
185.13319	2.7
187.11211	2.2
187.14751	2.2
189.11179	4.5
191.14247	1.8
193.12227	2.4
195.11858	2.9
195.13744	6.3
199.13182	2.7
204.72267	1.8
209.13284	2.6
223.13301	2.0
227.12651	8.0
229.14197	9.4
229.19545	3.8
233.15421	2.0
239.17870	3.7
245.52304	1.6
247.20554	4.1
253.14275	2.2
253.17902	2.1
255.15813	4.8
257.19022	11.2
267.15732	2.3
269.17419	12.7
273.18433	4.7
275.20035	40.2
276.20441	1.6
291.19583	9.6
293.21082	3.7
308.08719	2.3
321.24277	2.1
349.23709	35.0
365.23288	3.3
383.24060	2.1
409.25861	2.6
423.27417	5.3
445.29593	2.1
503.33380	3.1
525.35449	2.9
527.36450	2.1
529.35120	8.0
543.36792	13.2
559.36444	3.1
623.42578	5.7
628.85223	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.8
62.62557	0.4
65.03934	1.0
67.05497	27.1
69.03416	1.5
69.07063	8.5
71.01349	0.6
71.04990	2.8
73.02905	0.8
74.94507	0.4
79.05484	17.3
81.03410	41.6
81.07047	30.9
82.03727	0.8
83.04968	4.4
83.08612	14.2
85.02887	3.3
85.06544	2.0
87.42107	0.3
91.03958	1.8
91.05469	15.1
91.06046	0.8
93.07035	25.0
94.07320	0.4
94.49734	0.4
95.04962	13.9
95.08595	7.9
97.02880	2.2
97.06524	4.2
97.10152	1.5
99.04424	0.5
99.08078	1.5
105.07021	8.3
107.04939	3.0
107.08582	13.4
109.06506	2.5
109.10140	3.0
111.04430	0.9
111.08062	7.4
111.11703	0.4
115.05431	0.8
117.06999	4.2
119.04913	0.6
119.08566	5.8
121.06478	2.1
121.10132	9.1
123.04363	0.6
123.08046	1.0
123.11722	1.9
125.09628	1.2
129.07011	4.9
131.08554	6.8
133.06480	1.3
133.10117	6.6
135.08041	1.1
135.11676	3.9
137.09612	0.7
139.11153	1.0
142.07765	1.2
143.08549	0.6
145.04939	0.6
145.06442	0.6
145.10112	1.0
147.08049	1.0
147.11665	3.8
149.09627	3.2
149.13239	13.0
151.11185	0.8
157.10136	5.1
159.11670	5.2
163.11177	0.7
165.12720	1.5
175.11171	5.3
177.12741	2.6
193.10558	0.8
193.12234	10.8
195.13770	3.7
211.13234	1.1
213.14873	0.5
249.14952	1.1
267.15884	41.2
268.16187	0.7
269.17453	45.1
270.17932	1.6
273.15054	0.5
301.14331	0.7
309.16840	0.4
337.16254	0.4
351.23187	0.5
369.24286	1.2
387.25275	0.5
407.77371	0.5
417.26416	0.7
435.27435	5.5
443.28027	2.6
453.28101	0.6
461.28955	100.0
462.29202	5.6
479.30011	4.3
503.30133	3.7
511.32639	1.2
527.30060	0.6
557.31207	0.7
569.30658	1.9
587.32471	1.8
605.33020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	10.7
61.84111	0.5
65.03929	2.8
67.05499	57.4
68.05816	0.7
69.03432	5.6
69.07061	11.2
71.01351	0.8
71.04987	22.4
71.17641	0.8
71.17964	0.7
73.02896	3.4
79.05486	33.0
79.82613	0.5
81.03411	52.1
81.07049	100.0
82.07397	1.3
83.04976	13.3
83.08613	23.7
85.02899	27.0
85.06529	10.2
87.04462	1.0
90.36374	0.6
91.03946	6.9
91.05473	44.9
92.05803	0.9
93.07035	30.3
95.04963	24.4
95.08603	14.9
96.04465	0.7
97.02876	8.8
97.06516	8.3
97.10144	4.4
99.04452	2.1
99.08081	2.7
103.03998	0.7
103.05496	0.6
105.04519	0.8
105.07019	27.0
107.04942	7.3
107.08588	18.1
109.02944	0.7
109.06506	6.4
109.10146	8.0
111.04464	2.9
111.08064	9.4
113.06037	2.1
113.09619	0.6
115.05457	1.1
117.07001	5.8
119.08572	16.5
121.06493	2.3
121.10122	13.3
123.08067	3.2
123.11700	14.7
125.06040	0.6
125.09650	2.4
127.03923	3.5
127.07539	1.0
129.05504	0.6
129.06995	11.1
131.04910	0.6
131.07724	0.4
131.08563	15.6
133.06496	2.7
133.10115	28.2
135.08066	1.0
135.11667	3.8
137.09624	1.7
139.11165	0.9
141.06976	0.7
142.07761	2.7
143.08571	1.2
145.04935	2.5
145.10106	3.1
147.08029	3.0
147.11656	15.2
149.09612	6.0
149.13237	8.0
151.11159	6.9
157.10120	13.6
159.11676	6.2
161.09593	0.6
163.06000	2.9
163.11218	1.6
165.12758	3.4
169.12248	1.0
173.04420	0.9
175.11168	13.0
177.12782	3.5
183.13779	2.9
187.13263	4.3
187.14728	0.6
193.12219	32.1
194.12592	0.8
195.13771	5.1
201.14882	0.8
211.13280	29.7
212.13591	0.9
213.14818	0.8
219.13753	0.9
225.14975	0.7
227.12711	1.0
239.14209	0.5
243.15962	3.0
249.14874	1.0
253.18030	2.2
257.17514	1.0
267.15903	36.8
268.16397	0.9
269.17450	19.0
283.15573	0.7
285.16946	17.7
301.20074	12.0
343.22675	1.2
369.24585	1.6
417.26486	2.3
435.27435	30.0
436.27487	0.8
443.28091	4.9
445.24341	0.9
453.28439	61.9
454.28845	2.2
461.28958	74.3
461.81198	0.6
462.29382	2.0
467.30042	10.3
479.30017	70.2
480.30655	2.7
493.31808	4.5
503.30078	0.8
511.32648	63.6
512.32928	1.8
569.31195	0.9
587.32288	1.7
605.33038	1.9
623.34021	2.5
655.37042	4.3
720.16534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02663	1.3
61.02930	14.7
65.03932	3.3
67.05500	51.7
69.03430	12.9
69.07062	14.8
70.04203	1.3
70.07420	1.1
70.22575	5.2
71.01342	2.3
71.04984	7.5
73.02919	10.5
79.05489	46.5
81.03413	94.0
81.07053	46.0
82.04194	3.4
83.04978	26.5
83.08615	37.0
84.02113	1.5
85.02396	2.5
85.02898	39.0
85.06526	3.5
87.04465	1.9
91.03963	9.7
91.05477	47.8
92.06239	1.4
93.07037	32.2
95.04958	42.8
95.08612	16.8
96.05752	1.5
97.02887	15.7
97.06502	9.5
97.10160	16.2
98.07288	6.1
98.20805	1.7
99.04456	1.9
99.08038	2.5
103.05442	1.3
105.07025	31.8
107.04946	17.6
107.08580	18.6
109.02863	1.9
109.06503	9.1
109.10145	18.2
111.04415	5.6
111.08073	17.0
113.06004	2.0
115.05441	1.9
116.04688	12.0
117.07021	7.2
119.04924	2.0
119.07746	2.4
119.08567	30.6
121.06489	4.9
121.10135	16.8
123.08064	4.9
123.11697	1.6
125.09622	17.9
127.03893	4.8
127.11140	1.7
128.06230	1.9
129.05484	28.4
129.06979	15.7
130.39217	1.1
131.08560	22.9
133.06459	3.9
133.10129	20.5
135.08037	2.8
135.11679	6.4
137.05949	3.0
137.09596	4.9
142.07779	3.3
143.07028	5.9
143.10707	2.1
145.04945	3.6
145.10085	6.5
147.08073	5.8
147.11664	19.9
149.09622	8.9
151.03902	1.5
153.09053	2.1
153.12732	3.7
157.08620	11.7
157.10123	21.6
158.05794	1.4
163.06007	5.1
163.11185	10.0
165.12735	4.4
171.06520	3.0
171.10173	4.2
173.09543	2.1
173.11728	5.6
175.11166	22.1
181.12221	4.0
189.11208	8.8
191.10658	3.5
193.12234	74.9
199.09593	1.9
199.13268	16.7
200.14021	2.6
209.11700	11.6
210.12531	1.9
211.13283	100.0
227.12784	13.3
229.14317	4.9
243.15881	1.5
247.13354	2.8
249.14900	2.0
255.15822	3.5
265.14542	2.0
267.15906	33.3
269.17392	1.7
283.15424	16.8
285.16943	69.1
286.17343	1.6
293.17416	1.5
301.16458	60.2
302.16629	1.4
321.16943	1.6
339.17963	2.9
365.20175	1.3
409.25769	5.4
421.25717	3.6
427.26968	7.6
439.26962	20.9
459.27228	4.5
461.28806	3.5
475.26910	4.9
476.27570	5.1
477.28430	6.0
479.29956	3.0
493.27924	20.2
494.28543	5.6
511.28949	67.1
512.29468	1.9
603.59668	1.5
655.32788	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	866.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	7.8
65.03901	1.3
65.21859	0.3
67.05499	27.0
69.03385	1.3
69.07063	11.8
70.35865	1.4
71.01331	0.4
71.04984	2.4
71.08626	18.2
72.99741	0.3
73.02898	2.0
73.36526	0.3
73.92518	0.3
79.05488	12.1
81.03412	1.6
81.07048	38.6
83.04968	2.4
83.08611	12.4
85.02902	9.2
85.06538	2.1
85.10175	10.2
89.06001	0.9
91.03448	0.4
91.03950	5.7
91.05472	8.5
93.07037	21.9
95.04951	2.1
95.08597	17.6
96.04465	0.4
96.08869	0.4
97.02887	4.8
97.06521	4.6
97.10165	4.0
98.20724	0.4
99.04449	0.7
99.08031	0.9
99.11676	0.7
103.07526	1.1
105.04471	0.5
105.07022	2.6
107.04906	0.5
107.08585	12.2
109.02850	0.5
109.06511	0.9
109.10130	6.5
111.08055	3.1
111.11684	0.9
113.09579	0.7
115.03908	0.5
117.07014	3.3
119.08541	0.7
121.06481	0.6
121.10131	6.5
123.11691	3.0
125.09564	0.4
127.03943	1.9
131.08559	3.8
133.10117	4.5
135.07970	0.6
135.11690	4.1
137.13258	0.7
139.11092	0.4
145.04974	2.2
147.04362	1.2
147.11658	0.9
149.09572	0.5
149.13242	10.8
151.11205	0.5
159.11694	4.9
163.06046	2.0
164.31688	0.3
167.14253	0.7
177.12740	2.3
195.13802	6.1
213.07376	0.3
213.14917	0.5
221.22635	0.3
239.23628	1.4
251.20023	0.4
257.24774	1.3
269.17453	60.3
270.17773	1.2
311.75766	0.4
313.27338	60.5
314.27713	1.3
360.68314	0.4
402.79321	0.4
485.39706	0.8
503.41031	0.5
507.40427	100.0
508.40652	4.1
573.91382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.6
65.03933	1.4
67.05148	1.4
67.05501	20.2
69.03417	4.5
69.07075	5.0
71.04988	3.8
71.71136	0.7
73.02905	1.4
76.02227	1.6
76.75426	0.7
79.05491	21.0
81.03412	81.0
81.07053	19.6
83.04974	9.0
83.08614	21.4
84.04504	1.8
85.02894	12.6
85.06528	1.4
86.09682	0.9
86.99051	0.8
91.03953	1.7
91.05477	22.8
91.06049	1.3
93.07037	13.1
95.04961	23.5
95.08592	7.6
97.02879	4.9
97.06523	2.7
97.10163	5.8
99.04443	0.8
99.08103	1.2
105.06357	1.1
105.07021	17.9
107.04944	8.2
107.08587	6.9
109.02872	1.0
109.06487	4.6
109.10164	4.3
111.04422	1.9
111.08064	8.2
113.06030	1.2
115.05460	1.5
117.07007	3.6
119.04938	1.8
119.08566	14.4
121.06480	5.6
121.10143	7.3
123.04399	1.5
123.08042	2.2
123.11685	0.8
125.02609	0.7
125.09624	4.0
127.03946	0.7
128.06204	0.9
129.07005	11.4
131.04919	1.3
131.08562	12.3
133.06494	3.1
133.10117	7.6
135.07999	1.7
135.11691	1.4
137.05992	0.9
137.09587	2.4
142.07733	1.8
143.08572	2.0
145.06462	5.1
145.10121	2.6
147.04402	0.9
147.08028	5.3
147.11681	11.5
149.09621	6.8
151.03906	1.1
154.12164	0.7
155.08594	1.5
157.06454	1.2
157.10123	13.8
159.07869	0.9
159.11775	1.0
161.06024	0.9
161.09578	1.4
163.06087	0.9
163.11189	2.3
165.12706	2.8
169.10121	0.8
171.08092	1.3
171.11658	1.2
173.09579	1.0
175.11168	13.6
177.12717	1.0
184.07289	1.1
185.13271	1.2
187.11131	0.9
187.14748	0.8
189.11200	1.2
189.12732	1.0
193.12230	31.0
195.11662	1.2
197.13275	1.4
211.11246	1.4
211.13240	13.7
215.14459	0.9
223.13289	0.9
225.12817	0.9
227.12669	0.8
233.15433	1.5
235.13298	1.0
249.14880	2.0
255.13702	2.3
267.15903	100.0
268.16254	1.1
273.14801	5.3
281.15488	0.9
285.16934	12.5
301.14227	1.1
308.09070	1.4
309.16913	0.9
339.23141	1.1
341.21106	1.6
349.21701	2.7
367.22729	9.2
385.23734	13.0
403.24744	2.2
405.24359	1.6
415.24860	1.2
433.25848	16.5
441.26480	7.0
459.27408	73.5
460.27621	2.4
477.28473	43.6
501.28217	0.8
519.29364	2.2
567.29407	0.9
585.30554	1.9
603.31738	1.5
617.29559	1.7
635.30432	2.1
653.31378	2.1
681.73718	0.8
732.14899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	5.3
65.03915	0.8
67.05502	5.8
68.25475	0.5
69.03433	2.6
69.07054	2.8
71.01047	0.9
71.01393	1.2
73.02919	3.1
79.05489	4.4
81.03409	2.5
81.07046	6.8
83.04975	0.7
85.02903	3.8
86.09707	2.8
91.03957	1.8
91.05485	3.7
93.07040	5.1
95.04973	1.4
95.08588	2.9
97.02872	3.3
101.02374	1.8
105.07021	2.6
107.08588	2.5
109.02895	1.0
109.06478	0.9
109.10198	0.9
119.08600	1.9
121.10181	1.3
125.00044	2.4
127.03944	1.1
131.08592	1.4
133.10172	1.3
135.11668	1.1
136.06160	0.6
143.08569	0.7
145.10175	1.1
147.11758	0.8
149.13329	0.7
168.01952	0.5
184.07343	9.2
184.08902	0.6
185.07724	1.0
204.22559	0.5
243.08527	2.4
269.17828	0.6
333.20221	3.1
349.59705	0.5
394.54117	0.6
439.19601	1.9
453.21252	1.6
469.20920	0.8
551.28253	12.1
551.36139	0.9
552.28180	0.7
763.41815	1.0
846.26178	0.6
861.49597	100.0
862.49957	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	866.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.3
63.72918	0.3
65.03892	0.6
67.05499	18.4
69.03389	1.1
69.07060	6.4
69.77570	2.6
71.04942	1.1
71.08626	11.5
73.02914	1.9
79.05489	9.2
81.03365	1.6
81.07049	28.7
83.04943	1.4
83.08612	9.3
85.02896	7.9
85.06506	1.1
85.09693	0.5
85.10174	8.0
89.05990	1.1
91.03950	5.4
91.05472	6.0
91.54868	0.4
93.06454	0.5
93.07034	14.0
95.04970	1.6
95.08598	14.1
96.04448	0.4
97.02885	3.9
97.06512	2.6
97.10143	3.2
99.08083	0.7
99.11694	0.5
103.07584	0.5
104.95990	0.4
105.07000	2.4
107.07944	0.6
107.08591	7.9
109.02861	0.4
109.06483	0.5
109.10162	5.6
111.08071	1.7
111.11658	0.6
117.07030	3.1
119.08534	0.5
121.06472	0.8
121.10145	3.2
123.08046	0.4
123.11053	0.4
123.11703	3.7
125.13242	0.4
127.03912	2.6
131.08563	2.5
132.20108	0.3
133.10126	5.8
135.11699	3.7
137.13213	0.9
137.82875	0.4
144.06448	0.4
145.04950	2.7
149.12144	0.5
149.13252	6.1
149.14383	0.3
151.11122	0.5
151.14807	0.4
159.11716	3.0
163.06027	2.9
177.12677	1.8
195.13794	6.1
213.14786	1.2
239.23648	1.6
257.24777	1.3
269.17453	50.6
270.17773	1.2
313.27341	52.7
314.27628	2.3
339.17966	0.5
352.68094	0.4
413.21634	0.5
440.21011	0.4
471.71017	0.3
507.40417	100.0
508.40823	5.1
559.24115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.4
65.03933	0.8
65.31258	0.4
67.05496	5.3
69.03418	3.2
69.07072	1.8
71.01366	0.6
71.04986	0.8
71.72781	0.7
72.19920	0.4
73.02908	3.2
79.05495	4.1
81.03412	1.8
81.07052	6.1
83.04971	0.9
83.08620	1.0
85.02898	4.3
86.09705	1.2
91.03972	2.0
91.05473	4.1
93.07017	4.2
95.04984	1.5
95.08578	2.5
97.02883	3.6
97.06551	0.7
101.02388	1.8
105.07018	2.7
107.04971	0.8
107.08598	2.4
109.02877	0.6
109.06545	0.5
109.10162	1.0
117.07035	1.3
119.08618	1.8
121.10151	1.2
125.00012	1.0
127.03931	0.9
131.08600	0.9
133.10167	1.4
135.11700	1.3
136.06197	2.2
137.09593	0.6
137.26558	0.5
145.10104	0.9
147.11717	0.9
149.09650	0.5
159.11732	0.6
164.68633	0.5
173.13164	0.5
184.07359	4.6
185.07762	0.9
241.06511	0.5
243.08412	2.9
259.08215	0.5
333.20334	3.3
389.23141	1.3
408.77261	0.5
439.19733	1.7
453.20975	1.6
469.20551	1.0
551.28278	13.2
602.88806	0.4
763.42554	0.8
861.49609	100.0
862.49847	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	861.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67916	0.6
67.05478	1.4
67.31741	0.8
68.99765	3.1
69.03414	0.6
69.07057	0.6
70.06581	2.9
71.00137	1.7
79.05480	1.0
79.88199	0.6
81.03370	0.7
81.07052	1.1
81.77888	0.6
81.85322	0.6
83.04980	0.9
90.03611	0.6
91.05515	0.6
93.03368	1.0
95.04955	2.4
95.08595	1.1
97.06512	2.1
105.03389	0.9
107.04912	0.8
109.02853	1.0
109.06479	0.6
111.00826	0.8
111.04442	1.0
123.04428	10.9
123.08008	0.6
127.03911	28.4
127.31553	0.6
128.98587	0.9
133.02827	1.1
135.04425	1.2
137.05986	2.4
139.03893	100.0
140.04236	1.1
145.06479	0.9
147.04411	3.0
149.05995	1.1
151.03899	28.9
153.01854	3.1
159.04401	0.9
161.05946	1.1
163.03894	7.3
163.05142	0.8
163.07588	0.6
165.05496	13.9
165.09114	0.9
175.03894	7.1
177.05453	2.5
179.03391	47.7
180.03773	1.1
181.08591	66.9
182.08939	0.8
183.10164	0.7
187.03857	0.8
189.05463	3.0
189.09074	0.7
191.03378	1.5
191.07013	1.0
193.04988	1.6
193.08620	1.8
197.06055	0.8
201.05330	1.3
203.03410	8.4
205.04971	2.1
206.29753	0.6
207.10149	9.1
213.05486	2.2
215.03476	0.9
215.07005	0.9
217.04961	1.3
219.10138	1.2
221.04359	1.1
225.05510	1.1
225.11205	29.6
226.11566	0.8
227.03412	1.2
227.07059	0.7
229.05006	2.2
231.03157	0.6
231.06497	1.2
231.10255	1.0
237.02589	0.8
243.06548	1.3
245.04504	3.7
253.04996	1.1
257.04465	4.0
259.05966	1.1
263.05518	1.2
269.04361	2.4
270.04968	0.9
271.06052	3.1
271.09393	0.9
275.05505	1.5
281.04434	2.0
283.06046	0.8
285.11047	0.9
287.05515	6.3
287.08603	1.0
289.07181	2.0
295.06021	1.2
299.05481	13.9
299.08929	1.4
305.06528	3.8
311.05826	1.3
311.09174	3.8
312.99579	0.6
313.07288	1.1
313.10760	2.3
317.06744	8.4
317.10330	2.0
323.05551	0.8
323.09097	3.1
324.06390	1.1
325.07135	1.6
329.10089	0.9
341.10193	15.5
343.08160	4.6
355.11761	3.9
357.13382	0.9
359.11240	52.1
360.11520	1.7
361.12762	2.1
367.11868	4.7
373.12891	2.2
377.01822	7.8
385.12802	22.2
395.02817	2.7
403.13873	28.7
404.14236	0.7
449.08548	0.7
461.12296	1.6
467.10196	0.7
479.13409	2.2
505.14713	3.1
523.15912	6.3
675.16718	2.2
861.18396	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	859.4804
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02913	3.0
66.83947	0.5
67.05502	6.9
68.37444	0.5
68.73283	0.4
69.03423	3.6
69.07059	4.5
71.04985	0.6
73.02903	2.9
73.91077	0.5
76.84550	0.5
77.06680	0.6
79.05492	5.2
81.03418	2.0
81.07052	7.1
83.04968	1.5
83.08614	1.9
84.12701	0.5
85.02896	3.6
87.04494	0.6
91.03952	2.5
91.05463	3.5
93.07047	4.6
95.04972	1.6
95.08596	2.8
95.89707	0.6
97.02877	5.0
97.06525	1.0
97.10180	2.2
98.20632	1.0
99.04469	0.8
101.02374	1.6
105.07026	3.1
107.04947	1.1
107.08576	3.7
109.02896	0.9
109.06507	0.9
109.10152	2.6
117.07030	0.6
119.08607	2.0
121.10161	1.4
125.09654	1.5
127.03956	0.8
131.08585	1.2
133.10173	1.7
135.11693	1.7
145.10159	1.2
147.11729	0.9
149.09650	0.5
149.13283	0.5
157.10185	0.6
159.11691	0.6
223.13368	1.5
243.08369	5.1
269.17471	1.2
291.19656	1.9
301.09149	0.6
331.18762	1.1
333.20395	1.8
347.88022	0.6
385.39114	0.6
387.21646	0.9
389.22971	0.6
439.19922	1.3
453.21155	1.3
549.26636	7.1
549.66577	0.6
551.28259	5.5
761.40619	0.9
853.97894	0.7
859.48029	100.0
860.48553	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	859.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.5
65.74776	0.9
67.05496	8.3
69.03410	3.1
69.07069	3.0
71.72536	1.6
73.02914	3.6
77.30843	1.2
79.05491	6.8
81.03406	2.5
81.07049	8.9
81.52634	1.0
83.04972	1.9
83.08599	1.6
85.02906	3.0
86.09682	1.2
91.03966	1.2
91.05470	5.2
93.07054	4.6
95.04951	2.1
95.08620	3.5
97.02884	4.0
97.06507	1.0
101.02357	1.4
105.07021	4.5
107.04912	1.2
107.08608	4.0
109.06531	1.0
109.10162	3.1
117.07035	1.8
119.08614	2.3
121.10129	1.4
123.11664	1.3
125.09643	1.4
127.03918	1.7
131.08572	2.0
133.10117	3.1
145.10062	1.1
157.10179	1.1
159.11761	1.6
184.07352	3.0
243.08516	3.6
453.21509	1.3
469.19644	1.1
494.03625	1.2
549.26801	4.9
551.28198	6.4
859.48022	100.0
860.48944	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	859.4802
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02920	4.6
63.21875	0.6
67.05504	6.7
69.03423	3.1
69.07062	2.4
70.70686	2.1
71.04984	1.1
73.02900	3.0
79.05492	5.3
81.03416	3.0
81.07052	6.5
83.04970	1.7
83.08596	1.6
85.02901	5.2
86.09695	0.6
91.03948	2.3
91.05483	5.7
93.07039	3.3
95.04968	2.2
95.08607	4.8
97.02890	5.3
97.06539	1.2
101.02384	2.1
105.07056	3.9
105.50410	0.6
107.04989	0.8
107.08584	2.6
107.10090	0.7
109.02908	0.7
109.06521	1.7
109.10163	1.6
117.07021	1.0
119.04964	1.0
119.08581	2.4
121.10168	1.3
127.03912	1.6
129.07018	1.3
131.08566	2.2
133.10112	2.9
135.11694	1.3
137.72250	0.7
143.08437	0.6
145.10164	1.0
147.11752	0.7
151.11160	0.9
159.11696	0.7
165.12740	0.6
169.39552	0.5
175.11186	0.8
184.07373	1.9
185.04193	0.8
193.12349	1.3
241.01064	0.6
243.08479	2.5
246.65843	0.6
268.03711	0.6
301.09125	0.9
313.17657	0.7
321.66559	0.7
331.18863	1.3
333.20520	1.8
387.21692	0.8
389.22955	0.9
438.59616	0.6
439.19632	0.8
451.19366	1.5
531.25879	1.8
549.26428	4.9
551.28223	8.5
623.30554	1.1
707.91528	0.8
761.40497	3.8
790.40918	1.0
841.46869	11.4
859.47998	100.0
860.48407	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	858.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.3
65.03934	1.9
67.05503	15.5
68.23844	0.6
69.03059	1.2
69.03426	22.0
69.07053	1.0
70.86935	0.7
71.04985	9.8
73.02895	2.7
75.44381	0.7
79.05489	4.3
81.03416	5.1
81.07062	3.5
83.04967	2.0
83.08609	0.9
85.02903	50.1
85.06538	8.0
87.04465	4.1
91.03958	2.8
91.05480	2.8
93.07047	3.7
95.04965	37.4
95.08599	2.9
97.02892	14.0
97.06528	7.4
99.04462	3.0
99.87894	0.6
101.02374	1.2
105.07017	3.1
107.08598	2.7
109.02877	4.3
109.06519	1.5
109.10142	1.4
111.04440	1.5
113.06003	100.0
115.03905	0.7
117.07001	0.9
119.08630	3.3
121.10142	3.2
125.05969	4.2
127.03913	12.7
127.07596	0.8
131.08569	2.4
133.10143	2.2
133.25981	0.7
135.11647	1.2
139.07571	0.8
143.08577	0.9
145.04961	18.5
145.06107	1.0
145.08604	16.9
145.10106	2.7
146.19154	0.6
147.04390	1.1
147.11702	2.0
149.13348	0.8
151.07684	0.8
153.05479	5.5
155.06999	3.9
157.10135	1.6
159.11685	3.8
161.13280	1.1
162.07640	0.7
163.06015	7.3
167.07115	0.9
167.08546	0.8
175.14874	2.8
179.07071	1.1
181.10138	1.1
183.11711	1.1
185.13330	0.9
189.07574	2.1
189.16451	1.1
193.08664	0.8
201.16360	3.9
209.13208	1.0
213.16386	0.9
229.12184	0.8
234.81099	0.6
239.09096	1.4
257.10303	4.9
258.18796	0.8
275.11334	1.7
277.19583	0.8
289.09305	0.8
291.20984	1.2
319.20575	1.1
325.11322	4.8
337.21622	6.5
355.22696	15.9
373.23730	70.9
374.24173	1.8
414.26440	2.6
481.27863	1.0
499.31723	0.7
517.31714	10.2
517.88666	0.6
719.32703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93263	0.6
69.07063	2.0
70.06583	100.0
71.01328	0.7
71.06937	0.8
71.07809	1.9
73.21491	0.6
81.06172	0.6
85.02912	2.5
86.09700	8.9
95.01315	2.0
101.03483	1.0
108.20380	0.6
113.07124	0.9
116.07083	0.8
125.07083	1.6
136.07645	0.8
139.03917	0.9
141.06607	3.0
141.10237	2.4
143.53755	0.7
157.09702	3.3
169.19946	0.8
179.08560	1.1
183.14946	1.8
187.10690	1.3
195.08168	0.7
197.09221	1.1
205.06540	1.0
207.08034	3.5
209.12909	1.0
211.07474	0.9
215.08604	1.0
217.10335	1.0
218.07367	0.9
219.08035	3.3
221.05966	3.5
223.07617	2.4
229.15446	42.0
231.08160	2.7
233.09509	1.0
234.06958	1.7
234.48351	0.7
235.07509	10.6
235.09673	0.8
237.05438	1.4
243.08362	0.8
245.06027	0.8
245.09663	2.1
247.07524	8.9
255.08180	1.3
257.09750	0.9
258.06775	0.8
259.07635	2.6
260.07132	1.1
261.05600	1.9
261.09128	3.1
262.06400	0.8
263.07037	3.4
265.08725	0.9
266.15076	2.3
271.07388	3.3
273.06113	1.1
273.09076	6.2
274.06161	0.9
275.07016	3.9
278.08209	1.8
280.09784	2.5
283.07401	0.9
283.81366	0.7
285.09167	1.1
287.06979	3.4
289.08673	2.7
290.08328	0.9
291.06531	2.7
293.08261	1.8
294.14523	3.4
299.06979	1.5
301.08463	5.0
303.06613	5.2
303.09976	1.2
305.07999	3.8
308.09195	1.2
311.06976	1.5
313.05032	1.1
313.11792	1.0
315.06647	2.7
316.09970	1.0
317.08093	4.9
319.06207	1.0
319.09793	1.5
321.07755	2.2
326.08264	1.0
327.06522	4.8
328.09946	1.2
329.08020	5.7
330.08347	1.1
331.06079	1.0
331.09805	1.9
332.09323	1.1
333.07611	1.4
334.10782	0.9
335.08954	3.7
336.08749	0.9
342.07819	0.9
344.09006	3.8
345.07486	12.9
346.10840	2.2
347.09091	4.5
348.08701	1.9
356.09155	1.2
357.07504	8.4
359.09186	1.4
368.11472	1.1
372.08618	12.7
373.14191	2.3
374.10272	3.7
374.14343	1.5
375.08585	8.2
379.23566	2.3
380.11197	1.1
384.08649	1.0
390.09689	16.2
391.10309	0.8
391.16574	2.4
392.11407	2.6
393.09491	3.2
398.12494	2.4
400.08249	1.1
402.09818	2.7
408.10898	5.2
410.12491	1.1
420.10730	10.9
420.15900	1.1
425.24304	1.1
438.11835	6.9
456.13000	2.3
462.16595	0.9
485.17068	4.6
487.14978	2.0
505.16046	0.8
512.17914	0.9
513.16455	11.1
517.16602	1.1
528.17841	2.5
530.19458	1.4
535.17413	1.2
546.18475	1.1
548.20953	0.8
553.18073	3.9
558.18481	5.6
571.19354	0.8
576.19623	14.0
594.21027	1.6
600.23419	1.0
612.21777	3.7
618.24707	2.4
628.24512	0.8
630.23370	4.5
636.25977	1.0
643.23444	1.2
645.25134	0.9
646.27271	0.9
648.25330	1.7
663.26428	0.9
666.26483	5.1
673.25464	2.0
684.27576	16.7
691.26031	1.3
786.32581	1.0
804.34460	2.8
822.35437	3.0
840.36938	4.5
858.37775	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	857.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40207	0.1
68.64579	0.1
69.03423	0.3
69.07049	0.4
69.65145	0.8
69.65558	0.5
70.06576	0.2
70.39182	0.1
77.57299	0.1
78.56443	0.2
80.04983	0.2
85.02875	0.3
94.06525	0.4
95.04938	0.4
98.06035	0.2
108.04465	3.0
108.08138	0.3
110.06036	0.2
120.04404	0.2
120.08059	0.2
122.06020	0.8
136.07552	0.8
136.30334	0.2
138.05498	0.8
138.09125	0.3
140.07048	1.4
146.05991	1.5
146.24663	0.1
148.07545	1.0
150.05487	0.6
151.23203	0.1
158.05981	0.1
162.05443	0.2
164.07056	0.5
166.04991	1.0
168.06548	4.3
174.05531	0.8
180.07959	0.2
181.08838	0.3
183.91937	0.2
187.08722	0.2
192.06693	0.2
194.09682	0.2
196.07526	0.3
196.11234	0.3
197.10686	0.2
198.07654	0.2
198.09288	0.2
199.08595	0.4
201.10304	0.2
204.06541	0.5
206.08096	1.5
209.08383	0.2
210.07733	0.2
210.11528	0.3
211.08650	5.2
211.12086	0.8
212.09265	1.1
213.10165	1.1
213.13832	0.2
221.10783	0.9
222.09125	1.3
222.11240	0.2
223.08685	0.7
223.12361	0.5
224.10966	1.8
225.08005	0.3
225.10194	5.0
226.08751	0.3
226.10945	0.7
227.08115	0.6
227.11671	0.3
228.08867	0.3
237.10112	0.3
238.10994	0.4
239.08072	0.7
239.11763	8.4
240.08704	0.9
240.12404	0.9
241.09686	1.5
241.13268	1.0
242.10399	0.5
243.11247	0.2
249.10304	0.8
250.08569	1.1
250.10966	0.3
251.08096	1.1
251.11839	0.4
252.09023	1.5
253.09698	5.6
254.10475	0.7
255.11183	0.6
256.12000	0.4
257.09073	0.2
257.12946	0.9
259.14429	0.4
267.07956	0.6
267.11270	12.7
268.09354	0.3
268.11862	0.7
269.09592	0.3
269.12851	2.2
271.10678	0.2
277.09598	0.3
278.08093	0.5
280.08569	0.4
281.09183	0.8
283.10648	0.5
284.11575	0.9
285.12271	1.7
287.13837	0.6
295.10760	7.0
296.08997	0.4
297.12372	1.2
298.10229	0.2
299.10324	0.2
301.11722	0.4
303.13452	0.3
305.14926	1.6
313.11798	37.9
314.12216	1.5
315.13480	0.3
323.10248	1.9
327.13303	0.3
341.11292	15.5
342.11884	1.1
343.13129	0.3
345.14438	0.3
355.12875	2.7
359.12369	6.9
373.13907	100.0
374.14246	4.2
375.15564	0.8
444.15457	0.2
498.66327	0.2
617.26526	0.3
627.24371	0.5
641.25964	0.3
645.25555	2.0
659.27106	2.0
677.28491	0.7
789.29559	0.2
807.31183	0.3
821.31702	0.5
839.32050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94133	0.3
61.02853	1.0
61.03138	0.3
69.03343	2.8
71.04918	0.4
71.70583	0.5
77.00841	0.6
81.03328	1.3
83.49840	0.3
85.02808	6.6
85.03361	0.4
86.99226	0.4
87.04424	0.4
90.99072	0.3
95.01862	0.4
97.02886	6.2
98.97511	0.7
99.04362	0.5
101.00785	1.3
105.00309	0.7
109.02889	2.2
113.00826	0.7
115.02404	0.4
116.98550	0.4
119.01915	6.8
127.02341	0.6
127.03943	1.9
127.04694	0.6
128.98592	0.3
131.01906	4.1
133.03357	0.9
137.02869	1.3
139.02318	0.7
143.00046	0.3
143.01831	0.6
144.02480	0.3
145.03456	7.0
145.04837	1.0
149.02879	0.6
153.01813	9.7
153.02948	0.5
155.00748	0.4
155.01877	5.1
157.03461	3.9
159.01273	0.3
161.02849	1.2
163.04562	1.7
167.01808	1.3
168.02614	0.7
169.03305	0.9
171.02800	0.4
173.01585	0.5
173.02950	7.1
174.98773	0.9
175.04420	0.6
177.78198	0.3
181.03438	1.5
183.01318	0.6
183.18369	0.3
185.02940	9.6
187.04453	0.4
192.99767	1.0
193.03372	0.4
195.04901	0.7
199.04501	1.5
201.02338	0.7
203.02217	0.4
203.03983	5.5
207.04936	0.6
209.02946	3.6
211.00861	19.1
211.04314	1.3
212.00909	0.4
213.05923	0.3
217.03302	0.4
219.01546	0.4
221.02808	0.8
221.04967	2.0
223.04492	1.8
225.02368	0.4
227.04010	4.0
229.01927	11.4
229.05399	0.4
233.02887	0.4
234.02419	0.8
235.00882	3.7
235.04442	1.3
237.02521	2.7
239.03947	1.2
241.05493	0.7
244.99741	0.4
245.02928	0.9
247.00929	1.6
247.02994	16.2
248.03119	0.8
249.02321	1.4
251.03891	1.2
253.01915	6.6
253.05426	1.2
255.03651	1.4
259.00888	0.3
261.02319	1.5
263.01288	0.4
263.04044	2.8
265.01892	2.1
267.03519	2.4
269.04819	0.6
270.04556	0.4
271.03027	10.5
272.03128	0.4
273.04395	0.9
275.04047	0.6
276.03574	0.4
277.01926	2.3
279.03549	3.3
281.05057	0.5
283.02948	0.7
283.06570	2.0
285.04596	3.8
287.05585	0.6
289.01843	1.9
289.04147	1.5
291.03662	0.4
293.05136	0.4
294.04428	1.0
295.02954	7.4
297.04501	4.2
299.06113	0.5
301.01331	0.5
301.04257	0.8
302.05075	0.4
307.02948	11.1
308.06287	0.4
309.04697	0.4
310.05225	0.4
311.06097	7.7
313.04050	3.1
315.05505	1.8
318.04510	0.9
319.02847	1.0
325.04025	4.6
329.07132	0.5
330.04468	0.8
337.04019	8.6
343.05127	0.7
352.05487	0.4
355.05069	100.0
356.05322	4.2
371.02805	0.7
373.06140	48.8
374.06281	2.1
375.06668	0.4
396.07733	10.6
397.07932	0.5
410.98956	0.4
433.91336	0.3
525.07251	16.9
526.07727	0.8
539.50793	0.4
702.61133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.577
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41739	3.0
65.03921	3.8
67.05499	100.0
69.07054	22.5
71.04981	14.7
79.05478	58.3
81.03393	9.2
81.07047	88.4
83.04967	8.0
83.08607	18.1
85.02884	6.2
85.06514	5.6
86.79836	3.1
91.03960	3.5
91.05477	46.1
93.07037	79.5
95.04944	13.2
95.08601	51.7
97.02889	3.2
97.06550	14.7
97.10171	6.7
101.66167	2.8
105.07015	35.1
107.04955	5.6
107.08578	42.7
109.06469	4.6
109.10146	42.9
111.08070	6.6
117.07017	14.9
119.08570	23.2
121.06493	5.5
121.10117	23.2
123.11656	7.6
125.09600	4.4
131.08534	19.7
133.10129	23.6
135.08006	3.9
135.11690	16.7
137.09592	5.1
143.08525	4.6
145.10104	15.1
147.11682	13.3
149.09590	6.7
149.13228	11.5
157.10112	7.4
159.11659	15.3
161.13258	5.0
163.11221	4.8
169.10103	4.5
171.11729	4.0
173.11745	4.7
173.13226	7.8
175.14713	3.3
177.12730	3.6
187.14807	6.5
189.11162	3.9
224.14456	3.4
227.12709	3.5
229.14317	32.7
257.18912	5.1
261.22101	10.0
269.17508	9.1
275.19977	18.2
293.21109	4.8
335.25772	84.6
349.23743	13.5
413.21588	7.1
455.35883	3.6
473.82547	3.2
489.35635	26.2
508.81836	3.3
529.38855	72.1
542.64197	3.9
569.42023	32.5
609.44977	29.6
641.46967	5.4
673.42468	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	856.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02894	1.8
65.03931	3.0
67.05497	73.8
69.03429	9.0
69.07063	35.5
69.94981	2.5
69.95399	6.8
71.04968	6.2
73.02892	2.8
74.49094	1.7
79.05483	67.9
79.05940	3.6
81.03400	19.2
81.07047	100.0
83.04517	1.8
83.04975	16.5
83.08616	16.2
85.02884	6.2
85.06539	3.4
91.05469	60.2
91.54971	1.4
93.07033	72.4
95.04959	14.9
95.08595	44.2
97.02884	5.3
97.06533	17.6
97.10167	7.7
98.20692	2.5
99.04466	2.7
99.08081	6.1
105.07018	45.0
107.04956	11.0
107.08585	46.3
109.06491	9.9
109.10139	13.7
111.04446	2.0
111.08067	6.5
113.09634	3.4
115.05399	2.9
117.07008	23.3
119.08567	32.1
121.06487	6.7
121.10144	20.8
122.97938	1.7
123.08064	8.1
123.11691	5.5
125.09608	6.2
127.03907	3.6
128.06197	3.6
129.05476	2.4
129.06999	8.7
131.08560	26.6
133.06459	2.1
133.10126	32.0
135.08052	8.0
135.11684	19.7
137.09581	5.1
137.13219	2.4
139.11118	2.3
141.06961	3.4
143.08560	9.7
143.09497	1.6
145.06410	2.0
145.10103	22.0
147.07999	3.9
147.11667	16.3
149.09610	16.1
149.13249	16.9
151.11197	4.0
155.08514	3.0
157.10080	8.4
159.11661	21.9
161.09587	2.3
161.13237	6.8
163.11194	10.6
165.12744	1.9
168.09404	1.5
169.10092	5.7
171.11674	6.7
173.04417	4.0
173.13249	4.8
175.11220	2.0
177.12711	6.1
179.14333	3.3
181.10153	1.6
181.12314	1.6
183.11670	3.5
185.13213	3.1
189.11188	5.0
195.12076	1.8
195.13773	10.4
197.13304	4.2
227.12788	3.8
229.19440	2.4
235.16817	2.0
239.17883	5.7
247.10971	1.9
247.20634	1.9
251.16481	2.8
253.14328	2.5
255.15891	17.7
257.19016	11.9
267.15952	4.6
269.17441	47.9
275.20010	39.9
293.17566	1.9
293.21042	5.3
321.24243	1.6
328.67966	1.6
331.22632	3.0
349.23654	36.2
367.24808	7.0
435.27289	4.3
445.28906	2.7
449.28931	28.9
463.30530	41.6
525.35541	4.7
529.35095	7.2
543.36743	31.2
544.36853	2.0
547.36066	2.1
561.37585	6.6
607.34552	2.1
623.42896	3.7
632.03741	1.6
641.43634	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	856.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	5.6
65.23548	1.6
67.05500	83.5
69.03414	10.6
69.07060	39.6
69.95845	10.6
71.04991	5.4
79.05489	73.7
79.05881	1.3
81.03428	17.1
81.07048	100.0
83.04974	14.6
83.08617	14.4
85.02892	5.1
85.06530	4.3
91.05473	61.5
93.07037	76.5
95.04960	17.1
95.08593	43.8
97.02881	6.8
97.06526	20.2
97.10165	6.2
99.08067	1.7
103.05433	3.3
105.07023	48.4
105.07732	2.8
107.04944	11.9
107.08589	48.8
109.02869	2.3
109.06516	9.0
109.10137	17.6
111.08089	8.5
111.11723	1.7
113.09625	2.8
115.05396	3.3
117.07001	26.1
119.08568	34.5
121.06484	6.6
121.10142	23.4
123.08043	5.1
123.11658	4.0
125.09616	4.9
127.03902	3.7
128.06201	4.4
129.05476	3.7
129.07004	11.9
131.08559	28.1
133.06461	4.3
133.10124	30.0
135.08032	7.2
135.11676	23.2
137.09613	5.0
139.11084	1.6
141.06953	3.5
143.08556	8.2
145.06468	3.6
145.10106	25.8
147.08093	3.5
147.11685	17.4
149.09618	18.7
149.13255	14.9
151.11147	4.8
153.07025	1.7
155.08571	4.8
157.06354	1.7
157.10106	8.6
159.08009	4.1
159.11671	17.1
161.09616	4.2
161.13217	7.3
163.11172	12.4
165.12761	2.9
167.08424	1.7
169.10115	6.5
171.11658	8.4
173.04401	4.8
173.09586	3.4
173.13245	6.9
175.11169	3.7
177.12735	6.3
179.14285	3.7
181.12262	2.2
183.11678	7.2
185.13205	5.6
187.14839	3.8
191.14325	2.0
195.11905	1.8
195.13802	7.5
197.13239	4.4
211.14908	2.1
227.12782	4.9
229.19322	2.8
239.17982	4.7
247.20586	2.5
251.16171	2.3
253.18071	2.1
255.15862	14.3
257.18948	11.1
265.21661	1.7
267.15836	3.8
269.17453	38.1
275.20062	45.6
293.21042	4.7
329.21167	1.9
331.22543	3.2
349.23703	36.3
367.24615	7.3
382.08514	1.7
394.07394	1.7
413.21414	2.1
435.27539	4.2
449.24139	1.9
449.29086	22.7
463.30490	28.4
487.58786	1.8
491.64243	1.8
525.35614	3.8
529.35327	9.9
543.28998	2.8
543.36810	35.3
547.35413	1.9
561.37854	5.7
623.43091	4.4
641.44055	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	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09356	1.6
61.02916	3.8
65.03932	3.6
67.05496	100.0
69.03416	2.8
69.07062	18.6
70.66779	1.8
70.67126	6.0
71.04985	6.3
73.02895	2.9
77.16140	1.6
79.05485	45.3
81.03408	7.6
81.07049	68.1
83.04981	7.7
83.08610	15.6
85.02904	15.9
85.06522	3.2
87.04457	5.2
91.03962	2.3
91.05466	28.2
93.07038	47.0
95.04958	7.4
95.08598	47.0
97.02896	4.9
97.06533	7.0
97.10179	14.6
105.07022	18.5
107.04961	2.6
107.08585	33.0
109.06493	2.5
109.10143	65.7
109.10893	3.2
109.66075	1.8
111.04443	2.8
111.08054	4.0
117.07008	8.3
119.08566	19.6
121.10137	23.0
123.08089	3.7
123.11710	6.7
124.41951	1.6
125.09599	15.8
129.05492	2.5
129.07047	3.0
131.08543	11.5
133.10095	9.1
135.11682	16.4
137.09595	4.5
145.10107	13.1
147.08032	2.4
147.11702	5.5
149.13261	5.6
153.12694	2.5
155.10693	3.2
159.11676	6.4
161.13255	5.8
163.11172	8.9
163.14786	3.3
173.09740	2.3
173.10262	2.4
173.11740	16.9
173.13289	6.2
175.14850	2.1
187.14790	2.4
191.10687	2.7
193.12215	2.2
199.13278	6.5
209.11679	3.8
227.12616	9.2
229.14334	42.8
243.21048	5.2
244.94307	1.9
257.13809	2.0
261.22104	17.5
267.15921	4.4
283.15417	2.8
301.16510	12.5
317.24896	2.6
327.23315	2.3
335.25754	80.7
336.25958	2.8
399.23816	10.9
459.34546	2.4
477.35513	7.8
489.35675	20.3
561.37799	5.5
579.39331	2.5
659.45172	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	854.525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40785	0.5
61.02905	0.8
62.45719	0.5
65.03922	2.5
67.05496	40.2
69.03422	9.5
69.07060	33.3
70.92165	0.7
70.92506	1.4
71.01333	0.6
71.04411	0.8
71.05005	3.2
71.15988	0.6
77.03899	1.0
79.05486	38.4
81.03407	9.3
81.07048	45.5
83.04970	6.6
83.08608	11.8
85.02908	3.0
85.06027	0.5
85.06525	2.5
87.04459	0.9
91.05470	33.8
93.07034	33.3
95.01311	0.7
95.04957	11.9
95.08594	20.7
95.09211	1.2
97.02887	8.5
97.06516	10.3
97.10157	12.1
99.04427	0.5
99.08093	1.6
103.05476	1.0
105.03391	0.8
105.07017	25.3
107.04945	11.0
107.08580	21.4
109.02844	1.6
109.06522	5.1
109.10143	10.0
111.04439	1.3
111.08056	4.5
113.05976	0.5
113.09620	0.8
115.05444	1.8
116.06198	0.9
117.07004	11.6
119.04938	1.1
119.07745	1.0
119.08573	19.2
121.06491	5.1
121.10118	10.4
123.04405	1.6
123.08067	4.8
123.11678	2.5
125.09619	9.1
127.03861	1.1
128.06227	0.9
129.05505	1.2
129.07011	5.1
130.07756	1.4
131.04832	0.5
131.08563	12.8
133.06499	3.4
133.10112	14.7
134.07266	0.6
135.08072	5.3
135.11678	8.0
137.05937	0.6
137.09596	3.8
139.11133	1.2
141.06953	1.4
142.07738	1.2
143.08534	4.3
144.09291	0.7
145.06487	1.4
145.10109	10.7
147.08034	5.6
147.11661	7.0
149.09589	8.2
149.13255	7.7
151.07596	1.0
151.11162	2.4
153.09123	1.3
155.08549	1.7
156.09288	0.6
157.10092	4.3
159.08040	1.4
159.11674	9.1
161.09615	3.7
161.13274	3.3
162.10349	1.3
163.11168	6.5
165.09064	0.9
165.12756	0.9
169.10120	2.2
169.12236	0.6
171.10287	1.0
171.11668	3.9
173.04471	0.8
173.09651	0.7
173.13231	2.8
175.11206	3.5
177.12704	3.8
179.10643	0.8
179.14308	2.6
181.12152	0.8
183.11682	2.0
185.13254	1.8
187.11189	1.7
187.14748	0.7
189.11188	5.1
193.12184	1.1
195.11963	1.0
195.13776	3.8
197.13263	1.7
201.12695	0.9
203.14188	0.7
205.12183	3.1
211.14917	0.6
213.14862	0.7
216.61792	0.6
217.15732	0.7
223.13254	16.4
223.15324	0.9
227.12776	8.3
229.19456	1.1
233.15320	1.5
239.17984	1.7
245.13673	0.7
245.18954	2.0
247.20573	1.9
249.14793	3.0
253.14250	3.5
255.15645	6.4
257.18994	6.8
261.14795	0.7
263.20187	1.1
267.15985	2.6
269.17422	16.2
273.18472	14.0
273.21432	0.6
275.20041	21.0
283.15326	0.9
291.19510	100.0
292.19736	2.8
293.17786	0.7
293.21127	2.3
297.16922	0.8
309.20578	2.0
321.17233	0.6
331.22620	2.3
347.22156	1.8
349.23697	19.3
350.24335	0.6
365.23193	43.5
366.23431	0.8
367.24780	1.6
461.28909	1.7
495.36783	1.3
501.07144	0.6
511.28708	0.6
519.33270	0.9
535.32739	1.0
541.35181	3.2
545.34589	14.0
559.36237	45.3
560.36469	2.2
599.39001	2.9
621.41125	2.2
639.42499	19.4
640.43091	1.4
647.03052	0.7
657.43372	2.2
703.40594	1.3
822.60101	0.7
863.20679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.1
65.03928	5.6
67.05498	77.6
69.03417	9.6
69.07063	33.4
70.25423	4.6
71.04983	7.9
73.02904	1.1
73.06529	1.0
77.03922	1.4
79.05487	57.1
79.64118	0.9
81.03410	14.7
81.07048	91.7
82.07378	1.1
83.04970	17.0
83.08613	10.1
85.02896	3.5
85.06542	6.8
86.13318	1.0
88.51711	0.9
89.06014	1.2
91.05469	76.3
93.07035	61.6
94.07342	1.0
95.04964	17.9
95.05523	1.6
95.08593	36.7
96.08915	1.0
97.02890	3.4
97.06525	14.7
97.10158	3.4
99.04423	2.9
99.08096	2.4
103.05456	2.4
105.04529	1.5
105.07021	64.0
107.04945	15.0
107.08582	46.2
109.02862	2.0
109.06504	10.9
109.10145	50.0
109.59164	0.8
110.10468	1.1
111.04427	1.3
111.08070	5.6
113.06000	3.1
115.05459	3.4
116.06233	1.2
117.07012	19.4
119.04946	2.1
119.08566	28.7
121.06487	12.7
121.10137	14.7
123.04421	1.7
123.08048	4.9
123.11695	11.6
125.09615	4.5
127.03894	2.8
127.07532	2.1
128.06227	3.2
129.05478	1.8
129.06996	7.0
130.07721	1.7
131.08548	19.5
133.06499	4.5
133.10120	69.8
135.08029	10.3
135.08955	1.1
135.11653	10.8
137.09627	5.3
141.06993	2.8
142.07785	1.3
143.08563	7.2
145.06506	2.4
145.10104	14.3
147.08067	2.7
147.11671	11.1
149.09604	15.0
149.13237	8.0
151.11162	30.3
152.17178	1.0
153.07037	1.1
153.09071	1.1
155.08545	2.3
157.10092	6.2
159.08047	3.3
159.11685	12.6
161.09589	7.8
161.13243	4.9
163.11174	8.2
165.09100	1.1
165.12711	1.7
169.10141	3.5
169.12236	5.5
171.11674	5.0
172.16599	1.2
173.09618	1.1
173.13242	4.6
175.11194	3.7
175.14636	1.1
177.09094	2.0
177.12735	3.6
179.10706	2.9
179.14311	2.3
181.12296	1.5
183.11662	2.6
184.07385	1.0
185.09552	1.1
185.13226	3.9
187.11244	1.8
189.12764	1.7
193.12099	1.0
195.11861	1.4
195.13809	3.3
197.13272	1.9
201.12680	1.3
203.86906	1.1
205.12254	1.0
214.91783	0.9
215.12773	3.7
227.12782	2.0
229.19550	1.4
235.16885	1.2
239.17909	2.4
245.18915	4.6
247.20636	1.0
251.12823	2.0
253.14328	100.0
254.14662	2.5
255.15501	5.1
257.19006	4.4
263.20074	3.3
267.15857	2.1
269.17447	15.6
271.15359	2.8
273.18457	21.8
275.20047	21.7
291.19504	23.1
293.21298	1.2
309.20605	2.6
337.72809	1.0
347.22144	10.7
349.23688	15.0
365.23190	27.3
365.27756	1.4
367.24771	2.6
447.27094	5.3
451.26761	3.8
465.28604	9.2
527.33691	3.0
541.35278	4.3
545.34619	17.8
559.36273	36.4
609.32898	1.1
621.41449	1.7
639.42615	8.3
657.43634	2.4
710.98297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.6
65.03922	3.4
67.05499	68.1
69.03421	14.3
69.07063	42.2
70.26562	5.2
71.04995	6.2
73.02894	1.3
76.02219	1.3
79.05487	53.0
81.03401	12.3
81.07048	75.4
83.04974	12.2
83.08614	16.5
84.04555	1.2
85.02888	4.3
85.06532	4.6
87.04464	1.2
91.05474	53.9
93.07038	57.5
95.01318	1.0
95.04954	17.2
95.08598	31.3
97.02884	9.7
97.06519	12.8
97.07121	1.5
97.10152	14.3
99.04446	1.9
99.08071	3.6
103.05460	1.8
105.07020	44.5
105.07727	2.5
107.04952	14.9
107.08585	37.4
109.02867	2.3
109.06518	7.8
109.09414	1.8
109.10142	23.2
111.04426	1.7
111.08051	5.7
113.05959	1.4
115.05420	1.4
117.07005	17.8
119.04919	1.5
119.08567	27.6
120.05666	1.2
121.06505	7.6
121.10139	14.5
122.94948	1.0
123.04365	1.1
123.08075	6.2
123.11677	4.1
125.09619	8.1
127.03922	1.8
127.07558	1.9
128.06152	1.4
129.06981	6.9
131.04948	1.4
131.08548	21.5
133.06458	4.2
133.10117	33.6
135.08063	7.8
135.11685	11.8
137.09593	3.8
139.11203	1.3
141.06978	1.9
143.08559	8.2
145.06392	1.5
145.10112	14.1
147.08051	7.0
147.11656	8.2
149.09605	12.9
149.13266	12.2
151.11160	11.9
153.09100	1.8
155.08592	1.7
157.10115	6.1
159.08006	1.7
159.11665	12.4
161.09608	7.0
161.13243	4.3
163.07500	1.2
163.11156	7.7
165.09102	1.8
169.10127	3.4
169.12231	2.4
171.10376	1.2
171.11696	4.2
173.09564	1.7
173.13240	4.2
175.11246	5.4
177.12730	5.4
179.04831	1.1
179.10724	1.2
179.14316	2.1
181.10207	1.3
181.12189	2.6
183.11647	1.9
185.09596	1.3
185.13155	2.6
187.11221	1.8
189.11174	5.7
189.12776	2.2
193.12280	2.0
195.11987	1.5
195.13806	6.3
197.13229	1.5
199.11247	1.5
201.12796	1.1
203.14238	1.2
205.12251	1.8
207.13672	1.1
211.14989	1.2
215.12782	1.7
217.15974	1.5
223.13252	16.4
227.12755	8.2
227.17905	1.9
229.19510	1.4
229.28319	1.2
239.17950	2.3
245.13737	1.5
245.19012	4.0
247.20650	2.4
249.14851	3.3
251.16278	1.8
253.14320	24.7
255.15562	5.7
257.18973	5.4
263.20090	2.5
267.15921	2.3
269.17465	27.2
271.15265	1.8
273.18463	21.2
275.20001	16.0
291.19516	100.0
292.19736	1.9
309.20609	3.3
347.22156	3.8
349.23730	12.3
365.23199	44.2
367.24673	2.6
413.21384	1.7
447.27286	1.8
449.30347	1.3
461.28668	1.9
465.28351	4.7
527.33594	1.6
541.35248	5.1
545.34711	16.4
559.36273	66.5
560.36450	3.2
604.70599	1.2
639.42670	14.5
657.42957	3.6
707.42621	2.6
854.45160	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	854.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.6
65.03928	0.7
67.05495	40.2
69.03410	1.5
69.07058	8.2
70.06586	0.4
70.19598	0.9
70.20019	1.4
71.04988	10.0
73.02888	1.9
76.62227	0.4
77.03920	0.5
79.05482	15.6
81.03407	2.7
81.07043	55.2
83.04974	3.5
83.08608	6.8
85.02890	6.5
85.06532	5.7
87.04430	0.7
91.03930	3.3
91.05463	12.8
93.07031	27.7
93.35413	0.4
95.04959	3.3
95.08011	0.8
95.08592	11.3
97.02876	3.5
97.06511	6.3
97.10143	1.8
99.04420	0.6
99.08073	1.7
105.07014	5.2
107.04943	0.6
107.08580	17.0
109.06491	1.4
109.10138	8.0
111.04436	0.5
111.08060	5.0
113.09642	0.6
115.05455	0.4
117.06989	4.8
119.08583	1.6
121.06449	0.7
121.10125	9.5
123.08035	1.0
123.11698	7.4
125.09615	1.8
127.03909	1.3
129.05495	0.4
129.06937	0.5
131.08536	5.7
133.10117	11.1
135.08052	1.0
135.11659	5.0
139.11200	0.6
145.04961	1.2
147.11690	1.1
149.09538	0.8
149.13231	17.3
151.11145	4.5
159.11676	7.4
163.06003	1.5
163.11076	0.6
165.12724	0.7
167.14282	0.8
169.12236	0.8
173.11719	1.8
175.25308	0.4
177.12720	3.3
183.13824	1.3
187.13264	2.4
193.12213	0.7
195.13785	5.2
201.14786	0.6
209.11761	0.8
213.14819	1.3
225.14851	0.9
227.12827	0.8
229.14345	4.9
237.57193	0.5
239.16385	0.5
243.15852	0.7
257.17523	0.8
267.15750	0.9
269.17447	18.6
301.16498	1.4
301.20087	4.7
423.27341	4.2
437.28928	30.6
438.29218	0.9
451.30508	5.0
458.36334	0.5
463.30493	100.0
464.30832	3.3
495.33447	28.4
513.30835	2.0
607.34454	1.7
639.37396	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	12.6
65.03922	3.5
67.05500	84.4
67.24493	0.9
69.03410	4.6
69.07065	16.3
69.57162	8.6
71.01307	1.1
71.04990	17.1
73.02907	5.6
76.27740	0.9
79.05489	35.4
79.26999	0.9
81.03414	9.8
81.07050	100.0
83.04974	7.8
83.08609	17.6
85.02894	19.6
85.06538	8.1
87.04457	2.5
91.03943	9.4
91.04922	2.1
91.05471	30.6
91.06036	1.9
93.07039	41.5
95.04954	7.0
95.08601	17.7
95.58292	0.9
97.02885	9.5
97.06509	10.1
97.10159	8.6
99.04441	1.9
99.08094	1.9
103.03903	1.8
105.07012	13.0
107.04932	3.0
107.08582	28.9
109.06523	2.4
109.10150	27.2
111.04453	1.1
111.08072	5.7
117.07003	9.5
119.08566	6.5
121.06506	1.6
121.10132	11.0
123.08038	1.8
123.11676	12.3
125.09590	6.1
127.03911	5.1
129.05461	3.1
131.08540	9.7
133.09172	2.0
133.10115	23.3
135.08092	1.8
135.11703	9.4
137.09618	2.1
143.10686	1.4
145.04944	3.9
145.10147	1.5
146.53569	1.1
147.11668	2.7
149.09561	1.4
149.13243	12.6
151.11200	6.2
151.15858	1.0
155.10664	1.6
159.11673	9.4
163.06024	3.6
163.11142	2.3
165.12755	1.7
172.71391	1.1
173.11743	7.1
177.12749	4.3
181.12309	1.2
183.13829	3.0
187.13235	2.5
191.10699	1.4
195.13774	15.5
199.13277	3.5
209.11627	2.5
213.14931	1.5
225.14867	1.8
227.12643	2.4
229.14348	22.0
239.16438	2.2
253.17886	1.1
257.17474	1.4
267.15857	4.5
269.17453	40.9
270.17676	1.4
283.15402	3.4
301.16449	8.9
301.20062	7.9
325.46655	1.2
326.11749	1.1
357.24310	1.2
411.27457	2.0
423.27380	21.7
432.37848	1.1
437.28970	39.7
438.29291	1.2
445.29434	1.2
451.30408	4.5
463.30548	29.9
464.30844	1.2
477.28302	2.4
495.32864	69.8
496.33478	1.6
513.30518	9.5
607.34662	4.4
639.36426	2.1
691.66699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.437
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65627	0.7
61.02921	17.5
65.03930	3.0
67.05498	100.0
69.03429	7.0
69.07063	17.6
71.01343	1.3
71.04989	6.3
73.02914	7.1
79.05486	39.7
81.03413	15.4
81.07048	77.7
82.07386	1.2
83.04974	12.3
83.08611	20.7
85.02896	29.6
85.06520	5.1
86.09726	1.0
87.04457	4.4
91.03948	14.2
91.05471	32.4
93.07037	41.7
95.04959	10.8
95.08593	24.0
97.02888	15.7
97.06523	13.1
97.10162	16.4
98.20731	1.3
99.04459	2.7
99.08089	2.7
103.03960	1.8
105.04483	1.3
105.07024	13.2
107.04934	5.2
107.08588	29.3
109.02879	1.5
109.06513	3.8
109.10146	60.6
111.04437	2.9
111.08067	8.7
113.05985	1.3
115.03939	1.5
116.04713	1.0
117.07007	8.7
119.08569	10.1
121.06483	3.5
121.10132	13.6
123.04424	0.8
123.08041	3.0
123.11693	5.0
125.09618	14.3
127.03889	6.4
129.05464	6.0
129.07008	2.8
131.08565	10.3
133.10123	14.2
135.08041	3.1
135.11662	10.5
135.12512	0.9
137.09613	3.4
139.11153	1.0
143.08548	0.9
143.10649	2.2
144.06549	0.8
145.04927	5.4
145.10112	5.3
147.08006	1.5
147.11693	5.9
148.12393	0.8
149.09622	2.1
149.13242	15.8
151.11195	2.1
153.12741	3.2
155.10634	4.4
157.08662	1.2
157.10170	2.1
159.11673	7.4
163.06027	6.6
163.11172	9.6
164.11549	0.7
165.12749	4.1
171.11748	1.1
173.04500	0.7
173.09605	1.7
173.11728	19.5
173.13045	1.0
175.11159	2.3
177.12723	4.8
181.12225	2.2
185.11794	1.3
189.11191	0.9
191.10646	3.1
193.12257	6.6
195.13786	15.0
199.09921	0.6
199.13258	6.1
209.11714	7.2
211.13303	5.9
213.14810	3.3
227.12756	9.8
229.14337	53.1
230.14659	1.9
239.16324	4.5
257.13788	0.8
257.17371	0.9
265.14395	1.7
267.15884	13.7
267.18784	0.8
269.17456	60.4
270.17856	1.1
283.15359	8.8
285.16977	3.1
295.19092	1.0
297.17130	1.0
301.16446	19.4
313.16492	2.2
323.18573	2.7
339.22937	0.8
357.24359	2.2
393.26425	2.9
411.27362	5.9
423.27365	37.8
424.27911	1.7
431.28046	3.5
449.28873	2.8
459.27435	1.2
463.30658	2.4
477.28073	4.2
495.29480	97.9
496.29907	3.6
513.30536	30.3
514.30566	1.3
650.20160	0.8
657.33228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	16.3
64.54180	1.0
64.67406	0.9
65.03927	2.8
67.05498	95.9
68.05817	1.5
69.03425	7.1
69.07061	19.8
71.01333	2.0
71.04986	15.2
73.02904	9.7
79.05485	44.0
81.03416	12.2
81.07047	100.0
83.04966	9.2
83.08608	23.4
85.02893	25.0
85.06542	7.7
87.04454	3.5
91.03941	12.6
91.05471	33.1
93.07036	49.3
95.04959	9.3
95.08598	25.9
97.02878	13.6
97.06527	11.9
97.10158	11.9
99.04442	2.2
99.08095	2.5
102.58167	0.9
103.03912	1.5
105.04490	1.0
105.07024	15.1
107.04937	4.4
107.08582	32.6
109.02843	1.4
109.06496	3.4
109.10146	44.1
111.04408	2.4
111.08065	7.5
116.04678	1.3
117.07008	11.0
119.08572	9.6
121.06452	3.4
121.10132	13.8
123.08063	2.6
123.11705	10.3
125.05925	1.3
125.09628	11.5
127.03902	5.0
127.07520	1.1
129.05450	3.4
129.06995	2.1
131.04878	1.1
131.08562	10.6
133.06406	0.8
133.10115	18.5
135.08031	3.1
135.11676	12.5
137.09625	2.3
139.11116	1.1
143.10637	1.3
145.04964	5.6
145.10095	4.3
147.08051	1.2
147.11673	4.9
149.09578	2.8
149.13232	16.1
151.11174	4.0
153.12784	2.8
155.10637	2.7
157.10052	1.7
159.11728	8.7
163.05988	5.8
163.11185	7.3
165.12773	2.2
171.11696	1.2
173.09634	1.9
173.11731	12.5
175.11156	1.3
177.12695	4.9
181.12161	2.2
183.13814	1.3
187.13254	2.4
189.11113	1.1
191.10672	3.1
191.24136	0.9
193.12247	3.5
195.13794	16.1
195.15588	1.4
199.13370	5.0
209.11714	6.5
211.13278	3.1
213.14857	2.4
225.14836	1.2
227.12776	6.7
229.14326	37.4
229.60262	1.1
239.16402	3.1
257.13812	5.4
267.15973	8.6
269.17450	65.9
270.17639	1.0
283.15375	5.8
285.16943	1.6
297.16827	1.7
301.16415	13.7
301.20020	5.5
393.26364	2.0
411.27237	4.4
419.28094	1.2
423.27411	42.2
431.27774	2.1
437.28983	28.7
451.30429	4.0
459.27429	1.0
463.30542	22.0
477.28336	4.0
495.29440	65.0
496.29892	3.0
513.23444	1.4
513.30573	20.0
514.30737	1.6
562.71936	1.1
607.34723	2.1
639.37170	2.5
774.85211	1.1
780.68042	1.1
858.38477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65240	0.5
61.02919	8.4
65.03934	1.9
67.05500	26.3
69.03429	6.0
69.07061	7.8
69.36235	5.4
71.01343	0.6
71.04984	6.1
72.83852	0.5
73.02909	2.6
77.03907	0.5
79.05486	29.8
81.03411	89.9
81.07050	35.0
82.03764	0.8
83.04976	20.3
83.08613	30.0
85.02901	38.9
85.06533	2.2
87.04472	1.0
91.03952	6.9
91.05474	40.4
93.06442	1.1
93.07037	20.9
95.04962	35.1
95.08595	13.6
96.04525	0.6
97.02886	9.5
97.06519	4.7
97.10167	5.6
99.04466	1.4
99.08105	1.6
100.07796	0.5
103.05475	0.7
105.07019	31.0
107.04948	9.6
107.08588	10.2
109.06507	5.7
109.10152	4.8
111.04441	4.0
111.07326	0.9
111.08076	13.8
113.05984	3.2
115.03879	0.6
115.05464	1.6
117.07021	2.5
119.04965	0.6
119.08571	25.9
121.06457	1.5
121.10133	11.4
123.08073	4.4
123.11707	2.4
125.09633	2.5
127.03918	3.0
127.07526	1.0
128.06282	0.9
129.06999	17.3
131.08560	15.5
133.06499	3.9
133.10118	15.4
135.08022	0.6
135.11629	0.5
137.09595	2.8
142.07745	4.2
143.08572	0.7
145.04950	2.3
145.06488	1.0
145.10114	3.0
147.08055	4.3
147.11674	21.6
149.09607	9.1
151.11223	0.6
157.10118	21.2
158.10583	0.6
163.05991	2.4
163.11192	1.5
165.12752	5.0
175.11172	21.9
189.11171	0.7
193.12231	66.4
194.12535	1.3
211.13280	97.4
212.13608	1.6
220.31232	0.5
227.12659	1.0
227.42859	0.6
249.14891	1.2
255.13658	0.7
267.15897	48.7
268.16415	0.7
273.14832	1.0
285.16940	96.8
286.17346	1.6
349.21548	0.8
367.22693	3.9
385.23706	6.1
403.24579	1.8
405.24054	0.5
433.26062	2.9
441.26440	1.5
459.27390	37.9
460.27744	1.4
477.28461	35.8
478.28629	0.7
495.29510	100.0
496.29889	3.1
599.95306	0.7
639.33374	2.1
854.93146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.4
65.03946	1.6
67.05501	33.3
69.03418	3.4
69.07061	13.1
69.07433	0.8
71.04996	3.8
71.37839	0.9
73.02908	2.5
79.05485	20.4
81.03419	4.0
81.07050	80.6
82.07374	1.0
83.04975	8.0
83.08614	9.7
85.02902	8.4
85.06543	5.3
87.04454	0.8
91.03971	3.9
91.05475	24.9
91.26266	0.6
93.07038	17.2
95.04973	4.5
95.08601	18.8
97.02882	5.0
97.06520	7.5
97.10150	3.4
98.07327	0.7
99.04443	1.3
99.08077	3.2
101.06022	1.9
105.07024	32.1
107.04919	1.2
107.08586	14.6
109.02866	0.8
109.06503	5.5
109.10149	4.0
111.04454	0.6
111.08098	2.9
113.06020	1.4
116.04716	1.2
117.07016	2.1
119.08570	26.6
120.08894	1.1
121.06513	1.3
121.10136	20.6
123.08049	4.4
123.10784	1.4
123.11695	28.5
125.09625	3.1
127.03922	2.5
127.07542	2.2
129.05499	2.5
129.07014	1.6
131.08580	3.1
133.10114	4.2
135.11679	1.9
137.09531	0.7
137.13260	2.0
139.11227	0.7
142.07765	0.6
145.04950	1.5
145.10101	1.4
147.11679	61.7
148.12004	1.4
149.09627	1.0
149.13249	3.3
157.08749	0.8
157.10075	3.2
159.11719	1.9
163.06012	1.1
163.11191	1.2
165.12744	26.2
167.96965	0.6
171.06480	0.9
173.11717	0.9
175.11186	2.5
177.12776	1.4
183.13786	2.9
193.12248	3.1
195.13843	2.5
199.13322	2.6
209.11771	1.3
211.13286	1.9
227.12785	0.9
229.14339	6.6
267.15894	68.4
268.16321	1.8
269.17471	10.8
283.15405	2.2
285.16943	84.2
286.17294	2.9
292.00949	0.6
301.16391	4.3
357.23981	0.8
393.26437	1.1
411.27475	2.3
423.27243	6.1
449.29193	1.1
459.27432	1.4
477.28494	14.3
478.28928	1.7
495.29498	100.0
496.29889	5.5
639.33673	1.2
716.46014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42347	0.6
65.03928	1.4
65.41132	0.5
67.05498	21.6
69.03423	8.6
69.07061	23.6
70.25921	1.9
71.04971	1.6
79.05036	1.0
79.05486	20.4
81.03405	6.7
81.07047	17.5
83.04977	4.2
83.08615	7.0
85.02896	1.3
85.06506	0.8
91.04942	1.0
91.05473	16.0
93.07037	14.4
94.04201	0.6
95.01304	0.9
95.04958	8.2
95.08596	8.2
97.02892	9.0
97.06516	2.6
97.10160	10.9
98.21432	0.6
103.05452	0.5
105.03396	0.8
105.07023	13.7
106.53484	0.5
107.04941	6.9
107.08581	11.4
109.02859	0.7
109.06545	3.0
109.10162	6.5
111.04393	1.1
111.08064	1.7
115.05422	1.2
116.06200	0.8
117.06998	5.5
119.04916	1.8
119.07748	0.9
119.08568	12.4
121.06517	2.9
121.10138	4.7
123.04417	0.8
123.08076	3.5
123.11703	0.8
125.09618	8.0
128.06226	1.0
129.06979	3.5
130.07774	0.8
131.04924	0.7
131.08554	7.0
133.06456	2.9
133.10129	5.2
134.07239	1.5
135.08035	3.3
135.11674	2.5
136.06160	0.6
137.09572	1.7
142.07765	1.3
143.08534	3.4
145.06465	0.8
145.10098	4.6
147.08046	6.6
147.11661	2.9
149.09578	1.9
149.13252	1.5
151.11165	1.1
153.09048	0.9
155.08446	1.1
157.10114	2.3
159.08043	0.7
159.11723	3.1
161.09586	2.4
161.13246	0.8
162.10396	1.2
163.11140	1.7
165.09091	1.8
169.10136	1.1
169.12155	0.7
171.10237	0.6
171.11658	1.7
173.09624	0.8
173.13254	0.9
175.11131	2.4
177.12785	1.0
179.10606	0.6
185.13319	0.9
189.11206	3.3
189.12666	0.8
193.12245	1.5
195.13780	1.2
205.12216	1.9
211.13284	1.8
212.13603	0.7
223.13260	15.6
227.12759	6.1
233.15460	0.6
245.18953	1.2
249.14908	3.6
255.17380	1.5
256.99963	0.5
263.20096	0.8
267.15854	1.3
273.18469	14.7
273.21469	0.9
289.17911	0.7
291.19513	100.0
292.19797	2.9
309.20667	1.2
329.21182	0.5
336.26169	0.5
347.22113	2.3
365.23196	45.2
366.23566	1.9
447.39392	0.5
535.32422	0.9
557.34558	1.6
575.35571	1.8
587.35284	0.9
637.41150	2.4
655.41974	40.8
656.42194	1.9
717.87067	0.6
848.17865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35208	1.1
61.02918	6.2
67.05504	26.0
69.03411	1.4
69.07059	11.5
71.01335	1.8
71.04983	2.9
71.08627	10.9
71.72844	1.2
73.02892	1.9
79.05487	19.3
81.03395	3.7
81.07053	16.2
83.04973	2.9
83.08621	6.9
85.02895	5.3
85.06528	2.6
85.10162	7.6
91.03960	3.4
91.05479	7.4
93.07033	22.7
94.88332	1.1
95.04960	2.7
95.08599	11.0
97.02882	4.1
97.06536	7.3
97.10166	11.6
99.08064	1.4
105.07027	2.9
107.08585	17.6
109.10134	7.4
112.77850	1.3
117.07001	1.5
117.48682	1.1
119.08566	2.9
121.10130	5.2
123.11666	1.8
127.03884	2.1
128.62285	1.1
135.11691	36.8
145.04962	1.8
145.10112	5.8
153.12733	2.2
163.06059	1.9
163.11165	6.7
181.12201	7.5
184.07298	1.4
199.13333	2.1
238.38193	1.2
239.23804	1.5
255.15900	100.0
256.16336	2.2
257.24808	1.5
313.27362	43.4
314.27890	1.9
386.03101	1.5
493.38858	84.4
494.39307	2.3
593.81311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04485	0.4
65.03632	0.5
65.03937	6.6
67.05476	1.3
68.05018	0.7
68.07561	0.3
69.03409	0.7
69.07043	1.0
69.39824	4.0
70.06586	26.4
71.06902	0.5
71.08324	0.3
71.08625	4.4
72.08137	0.5
79.05474	0.9
81.03390	0.9
81.07031	1.2
84.08118	0.8
85.10167	1.6
88.07625	31.1
91.05470	1.0
93.06990	0.6
95.04943	0.9
95.08588	0.5
97.02895	0.6
100.07581	0.4
102.09171	24.1
103.01743	0.4
105.03348	0.5
105.06998	0.8
107.08548	0.4
109.10098	0.4
121.02840	2.8
121.10137	0.4
128.45691	0.4
131.04901	0.9
132.02087	0.4
133.02831	0.9
139.03874	3.6
146.10397	0.4
146.11720	0.4
147.04358	2.0
147.11693	0.4
149.02336	100.0
149.03418	6.8
150.02660	1.4
175.03851	3.4
177.05467	2.4
191.06985	1.3
193.04958	52.1
194.05293	0.7
212.23740	1.0
219.06544	2.9
225.05502	0.6
237.07561	12.3
256.26340	79.0
257.26630	2.1
259.79123	0.5
269.04532	0.9
285.44968	0.4
297.03955	1.1
300.29025	1.3
313.07089	1.3
315.59122	0.4
322.41528	0.4
341.06512	4.1
343.08206	1.1
359.07639	1.9
385.09146	6.6
411.10532	0.9
429.11810	2.1
435.21237	0.4
533.10553	1.0
577.13422	9.1
578.14331	0.5
608.14563	0.5
621.15967	13.5
640.34644	0.7
830.26788	0.4
832.38776	2.6
850.39966	83.3
851.40320	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81546	1.0
65.03944	1.9
67.05500	43.8
69.03423	6.9
69.06701	1.6
69.07062	25.1
71.04973	5.1
71.70647	2.1
75.78633	0.9
77.83450	1.0
79.05043	1.9
79.05490	29.8
81.03413	7.5
81.07053	41.1
83.04980	6.4
83.08620	8.6
85.02885	1.7
85.06524	3.5
91.05474	41.1
92.05795	1.8
93.07040	30.0
95.04976	10.4
95.08598	15.9
97.02887	6.4
97.06487	5.0
97.10171	8.0
99.08056	1.1
103.24486	1.0
105.04472	1.1
105.07022	34.3
107.04961	11.5
107.08590	26.6
109.06511	5.5
109.10153	28.5
111.04443	2.3
111.08067	2.9
115.05440	1.5
116.06271	1.1
117.07011	8.7
119.04952	1.9
119.08578	15.9
121.06506	7.8
121.10142	5.3
123.04421	1.3
123.08089	5.0
123.11693	5.3
125.09628	6.4
128.06236	2.1
129.06984	4.3
131.08551	13.6
133.06505	4.8
133.10124	33.9
135.08067	6.8
135.11690	4.0
137.09607	2.9
143.08549	5.3
145.10114	6.9
147.08000	6.9
147.11676	4.4
149.09624	3.9
149.13277	1.8
151.11165	20.3
157.10158	3.8
159.08086	1.5
159.11676	3.9
161.09647	5.2
161.13222	1.2
161.15327	1.1
163.07623	1.0
165.09166	1.7
169.10123	1.2
169.12250	3.7
171.10312	1.2
171.11700	3.0
173.13190	1.4
175.11185	4.3
177.09085	2.1
179.10696	1.5
185.09525	1.3
185.13301	1.4
187.11256	1.4
189.11252	3.4
189.12790	2.4
195.13785	1.3
197.11678	1.1
205.12231	1.6
215.12737	2.5
223.13280	14.6
227.12787	3.2
227.17998	1.4
245.19011	4.2
247.40926	1.1
249.14880	3.8
251.12694	2.0
253.14337	77.7
254.14691	1.9
255.17427	3.3
263.20145	2.9
273.18497	32.9
274.18753	1.2
291.19531	100.0
292.19849	2.8
309.20724	1.7
329.20981	1.2
347.22195	8.0
365.23196	49.3
366.23715	2.4
543.33002	4.3
559.32544	1.7
561.34265	23.8
637.40631	9.1
655.42004	26.9
656.42407	2.6
751.50824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	3.6
61.02920	10.3
65.03931	2.5
67.05499	100.0
68.05812	0.8
69.03425	2.1
69.07064	8.3
70.18791	2.2
71.04976	3.5
73.02908	3.3
79.05020	1.3
79.05484	23.0
81.03429	1.9
81.07049	39.7
83.04958	1.4
83.08611	8.1
85.02901	13.4
85.06531	3.2
91.03945	8.0
91.05466	14.0
92.05762	0.6
93.07033	29.8
95.04970	2.6
95.08595	31.9
97.02879	5.8
97.06529	1.3
97.10171	2.7
99.08101	0.8
105.07017	9.0
107.08578	16.9
109.02831	0.7
109.06570	1.2
109.10143	79.2
110.10492	0.8
111.08064	3.8
117.06992	3.1
119.08567	12.9
119.39236	0.6
121.10127	13.8
123.04623	0.6
123.08097	1.0
123.11715	3.2
125.09625	1.7
127.03877	3.1
129.06989	0.8
131.08578	7.1
133.10107	6.1
135.11681	9.4
137.09624	3.4
137.13214	1.4
145.04947	4.2
145.10115	5.5
147.11716	4.2
149.13246	5.5
155.10674	3.7
159.11703	4.5
160.70598	0.6
161.13271	3.1
163.06012	3.8
163.14812	2.5
165.82446	0.7
173.11725	22.2
173.13258	5.4
174.12140	0.7
175.14816	1.5
177.16357	1.1
187.14796	1.6
189.11111	1.6
203.26308	0.7
221.91635	0.6
227.12749	4.6
229.14331	93.2
230.14622	1.8
243.21086	5.9
261.22122	22.0
263.23776	0.7
317.24612	4.3
333.24200	0.8
335.25769	74.1
336.26074	1.6
373.18240	0.9
379.30069	1.2
397.30850	1.9
415.32074	1.7
471.34482	2.5
489.35742	77.3
490.35791	3.0
507.36615	5.5
570.31525	0.7
633.39783	1.5
811.63971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	3.4
61.02925	11.3
65.03935	2.3
67.05500	100.0
68.05835	0.9
69.03417	2.5
69.07066	8.0
71.04995	3.4
71.08628	0.9
73.02899	3.6
79.05493	19.3
81.03435	1.7
81.07051	38.5
83.05016	0.7
83.08612	8.7
85.02899	12.5
85.06551	2.4
91.03954	9.9
91.05476	14.1
93.07039	23.4
95.04972	1.9
95.08601	26.7
96.04485	0.7
97.02888	6.6
97.06536	1.1
97.10179	2.5
99.04479	0.9
100.15189	0.7
105.07035	7.9
107.04959	0.9
107.08583	13.6
109.06542	1.4
109.10149	79.8
111.08109	3.4
117.06993	3.7
119.08575	12.0
119.61871	0.7
121.10131	9.9
123.11687	3.7
125.09669	2.4
127.03942	3.0
131.08534	5.0
133.10124	5.8
135.11688	8.3
137.09599	4.1
137.13280	1.2
142.44781	0.8
145.04976	3.6
145.10120	5.7
147.11621	4.5
149.13228	4.0
155.10666	3.5
159.11722	3.9
160.39000	0.7
161.13309	3.1
163.05977	3.5
163.14923	2.2
173.11784	21.7
173.13278	4.7
175.14874	1.5
177.16402	0.9
184.07346	1.3
187.14880	1.1
189.11409	1.2
227.12773	7.2
229.14342	89.6
229.46417	0.9
230.14861	1.5
243.21046	4.7
261.22107	17.2
299.23196	0.9
317.24744	3.5
318.27576	0.8
335.25775	61.9
336.26236	1.4
397.31082	1.5
415.32083	1.5
471.35168	1.6
489.35764	41.3
490.36252	2.3
507.36893	6.2
669.19806	0.9
817.75464	0.8
840.00531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08164	3.7
61.02904	2.7
65.03941	3.6
67.05497	100.0
68.10704	1.9
69.03416	3.1
69.07066	20.1
71.04983	4.8
71.07377	2.2
71.72881	3.0
79.05486	51.5
81.03420	5.8
81.07050	73.3
83.04964	2.5
83.08604	15.1
83.18946	1.9
85.02898	2.8
85.06528	4.1
86.09694	18.5
91.05469	39.0
93.07036	60.0
95.04971	6.3
95.08601	54.6
97.06507	6.3
97.10162	7.2
98.98444	2.6
99.08073	2.6
100.47383	2.2
103.46121	2.0
104.10784	1.9
105.07034	28.8
107.04962	3.9
107.08577	37.5
109.06497	3.9
109.10147	62.9
111.08073	4.4
117.07011	9.3
118.54409	2.0
119.08553	22.9
121.06468	2.8
121.10138	21.6
123.08088	3.5
123.11694	5.6
124.99996	14.3
125.09628	4.7
131.08537	12.3
133.10088	16.1
135.08078	2.2
135.11685	13.0
143.08524	3.2
145.10071	12.3
147.11684	9.9
149.09627	5.9
149.13249	7.9
152.47447	2.1
155.08537	2.7
157.10133	4.6
157.86165	2.6
159.11693	8.3
161.13280	3.0
163.11172	3.5
163.14806	4.8
173.11729	11.4
173.13306	6.4
175.14816	2.9
177.12830	2.5
177.16368	2.5
184.07321	50.4
189.11163	4.4
205.77643	2.2
227.12830	6.3
229.14325	42.4
239.18016	2.7
243.21060	3.6
257.18988	4.2
261.22113	16.2
269.17389	13.8
275.20007	17.6
317.24655	3.1
333.24149	2.1
335.25757	86.2
336.26083	4.1
349.23718	16.8
367.24960	10.3
371.98425	2.1
422.75723	2.5
489.35727	45.2
529.38934	25.1
557.53900	2.1
569.41620	6.2
609.44897	24.4
627.45959	13.0
634.64728	2.4
843.48932	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	838.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.9
67.05499	57.9
68.73539	2.4
69.03410	3.7
69.07065	35.2
69.61987	2.0
71.04987	5.7
71.72787	3.7
73.06532	2.3
79.05488	46.4
81.03416	13.5
81.07050	82.4
83.04978	9.6
83.08611	14.8
85.02919	4.2
87.04467	8.5
88.89746	2.0
91.05473	68.2
93.07043	53.1
94.07359	2.3
95.01339	11.2
95.04962	12.7
95.08593	40.6
97.06523	37.8
97.10168	5.4
103.05470	3.3
105.07021	86.2
105.07731	4.1
107.04940	21.0
107.08584	26.6
108.22948	2.7
109.06501	5.0
109.10146	13.1
111.08035	5.1
117.07007	23.0
119.08573	45.9
121.06511	5.7
121.10102	11.3
123.08053	4.8
123.11693	4.1
125.09645	3.4
129.06987	5.6
131.08563	27.1
133.10120	50.1
135.08060	5.1
135.11697	12.0
141.07001	2.5
143.08560	4.0
145.06477	3.0
145.10110	23.7
147.08051	2.8
147.11696	21.2
149.09630	8.1
149.13222	7.0
151.11209	2.8
155.08516	4.0
157.10202	3.1
159.11714	14.6
161.13217	6.2
163.11195	6.9
165.09056	3.5
169.10101	4.5
171.11639	3.8
173.13329	3.5
173.83247	2.6
177.12743	2.7
179.14273	13.4
183.11656	3.5
184.07350	2.8
185.13283	3.0
189.12753	2.6
195.13838	2.5
195.95576	2.2
197.13231	2.7
219.17430	3.3
224.37340	2.6
235.17303	2.3
239.18011	2.7
240.07288	2.2
247.20457	2.9
255.15833	7.1
257.19003	8.6
269.17453	21.1
275.20053	89.0
276.20001	2.7
279.15988	3.1
291.19614	2.4
293.21112	5.3
333.24069	2.6
348.42215	2.5
349.23737	49.3
367.24954	4.3
529.35321	22.5
543.36786	100.0
544.37073	5.1
623.42944	23.6
641.43738	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.8
65.03940	6.1
67.05505	100.0
69.03415	9.7
69.07066	41.6
69.48806	25.7
69.49217	8.6
71.04971	11.3
79.05493	78.1
81.03400	12.4
81.07056	97.0
83.04970	11.8
83.08633	24.0
85.02896	3.9
85.06525	5.3
86.09731	6.2
91.04941	7.8
91.05476	94.9
93.07043	90.0
95.04971	19.7
95.08604	59.2
97.02888	7.5
97.06517	15.8
97.10141	4.5
105.06354	7.8
105.07019	96.0
107.04984	6.9
107.08584	49.0
109.06512	9.0
109.10122	19.1
111.08075	6.2
115.05454	6.4
117.07021	37.4
119.08571	67.7
121.10160	31.7
123.08051	8.9
123.11727	7.0
125.09610	7.2
127.07447	4.7
128.06235	6.6
129.07025	21.3
131.08578	40.2
133.10121	54.9
135.08023	7.9
135.11696	32.1
141.06955	9.0
142.07707	4.8
142.36914	4.5
143.08542	20.8
145.10118	34.4
147.11687	32.1
149.09592	8.1
149.13254	18.6
151.06468	4.3
151.11229	4.3
153.06963	5.1
155.08565	14.6
156.09239	4.5
157.10141	20.5
159.11685	28.2
161.13232	16.7
162.99052	4.1
163.11171	8.5
163.14908	4.8
169.10132	12.5
171.11653	19.8
173.13242	12.4
175.14767	4.8
177.12665	4.3
179.08469	5.0
183.11731	9.7
184.07335	13.1
185.13229	18.8
187.14842	8.4
189.12704	5.2
195.11668	5.8
197.13321	10.5
199.14885	6.4
201.16357	3.7
209.13271	5.8
211.14758	7.6
213.12691	4.7
224.79425	4.4
241.19473	14.6
255.15855	15.7
257.18903	8.5
259.20544	38.2
269.17468	14.4
275.19986	16.1
277.21719	4.3
290.31281	4.4
315.23013	5.2
333.24286	44.6
349.23846	10.3
454.86649	4.6
460.67978	4.4
489.36252	4.9
513.35553	17.0
515.38184	5.9
527.37372	34.1
545.38068	8.1
589.43170	4.1
607.43732	21.9
625.44409	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	838.53
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45910	1.1
65.03926	3.0
67.05498	50.2
67.12625	1.1
69.03417	3.5
69.07063	34.9
69.39908	2.4
69.40308	11.9
70.11262	1.1
71.04974	3.9
79.05485	44.6
79.05945	2.6
81.03415	12.0
81.07047	67.3
83.04969	8.8
83.08611	11.3
85.02893	1.5
85.06526	3.0
87.04466	8.1
87.04910	1.3
91.05469	61.8
93.07035	47.6
95.01312	7.2
95.04951	12.2
95.08596	33.0
95.09206	1.8
97.02881	1.1
97.06519	28.5
97.10152	4.8
99.08066	2.0
103.05476	2.4
105.04549	1.7
105.07017	75.9
107.04941	19.3
107.08582	27.1
109.02888	1.5
109.06491	5.5
109.10148	9.4
111.08073	3.6
113.05998	1.7
113.09659	1.8
115.05478	2.3
115.12689	1.2
117.07010	19.3
119.08569	37.3
121.06504	4.9
121.10143	13.6
122.26331	1.2
123.04393	1.7
123.08070	3.8
123.11707	1.3
125.09629	3.1
126.48190	1.1
129.06985	4.1
130.07895	1.3
131.08553	27.0
133.06447	2.1
133.10117	44.3
134.10385	1.2
135.08049	5.8
135.11696	11.1
136.06114	1.6
137.09612	4.0
139.07564	2.4
139.11247	1.0
141.06927	2.6
143.08521	5.4
145.06451	2.1
145.10124	21.0
147.07968	1.6
147.11673	18.9
149.09612	10.5
149.13240	6.1
151.07529	1.2
151.11223	1.9
155.08560	3.3
157.10138	4.4
159.11662	14.4
161.09616	1.6
161.13222	5.9
163.11162	8.0
165.09152	2.5
165.12753	1.4
169.10147	3.7
171.11656	4.2
173.04387	1.3
173.13274	6.8
175.11121	1.7
177.12688	5.4
179.14285	14.5
183.11707	3.4
185.13226	1.8
187.11198	3.9
195.13789	2.2
197.13239	2.5
205.12318	1.4
219.13779	1.2
219.17442	4.6
227.12758	1.5
229.19556	1.7
229.29733	1.2
239.17978	3.2
247.20580	2.5
251.16295	1.7
255.15907	4.4
257.18979	9.9
269.17438	12.5
275.20035	100.0
279.15738	2.0
291.19669	1.4
293.21097	6.3
309.20667	1.3
331.22470	1.5
349.23724	51.9
367.24698	1.3
413.21387	1.3
503.33569	1.6
527.36041	1.4
529.35175	25.4
543.36749	81.3
544.37189	4.6
561.37195	1.6
583.39655	5.0
595.42755	1.9
623.42938	38.0
624.43121	2.3
641.43909	5.6
687.40161	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.8
65.03937	1.3
67.05499	23.4
69.03424	2.7
69.07067	6.8
69.38844	5.8
71.04987	2.9
73.02908	2.1
79.05486	18.8
81.03413	26.6
81.07052	31.2
83.04974	7.0
83.08614	15.2
85.02897	15.0
85.06526	1.4
91.03950	3.6
91.05471	18.4
91.06050	0.8
93.07039	23.2
95.04961	13.2
95.08599	8.7
97.02871	5.2
97.06512	4.5
97.10163	1.5
99.04415	0.5
99.08067	0.6
105.07029	10.6
107.04933	3.1
107.08585	11.9
109.06512	2.7
109.10165	3.2
111.04427	1.9
111.08062	5.3
113.06006	1.4
117.06977	3.1
119.08573	9.0
121.06495	1.8
121.10133	8.8
123.08060	1.5
123.11716	2.1
125.09621	1.0
127.03904	1.3
129.06975	4.7
131.08562	7.7
133.06474	1.3
133.10126	9.6
135.08037	1.2
135.11668	3.2
137.09590	1.4
142.07797	1.6
145.04967	1.3
145.10127	1.2
147.08000	1.0
147.11676	7.4
149.09595	3.6
149.13222	5.9
151.11188	0.9
157.10127	6.3
159.11674	3.0
163.06053	1.7
163.11214	0.6
165.12732	1.7
175.11180	7.0
177.12775	1.8
193.12228	18.7
194.12494	0.6
195.13762	4.2
211.13286	24.3
213.14853	0.5
214.10988	0.5
267.15878	14.2
269.17462	26.0
270.17734	0.6
285.16937	25.8
356.60739	0.5
387.25174	0.8
434.63947	0.6
443.27670	1.7
461.28976	23.1
462.29532	1.1
479.30014	100.0
480.30661	3.5
623.34039	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	838.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	1.3
61.02917	4.6
65.03907	1.1
67.05500	31.2
69.03422	2.0
69.07063	11.6
70.97805	2.0
71.04993	4.3
73.02902	1.7
79.05485	19.1
80.05814	0.6
81.03406	7.0
81.07048	54.7
81.69721	0.7
82.07375	1.2
83.04978	6.5
83.08613	10.4
85.02901	5.5
85.06541	4.0
85.06963	0.6
91.03941	3.2
91.05470	14.9
93.07038	27.4
94.07354	0.8
95.04967	5.3
95.08595	12.4
97.02888	3.1
97.06527	6.7
97.10167	1.9
99.04427	0.8
99.08080	2.1
104.48330	0.6
105.07021	15.5
106.07371	0.7
107.04948	1.8
107.08584	16.6
108.08923	0.6
109.06530	2.9
109.10136	3.7
111.08083	3.3
111.11720	0.9
113.05997	0.9
115.07568	0.7
117.06992	4.5
119.08575	10.6
121.06497	1.3
121.10132	16.1
123.08054	2.5
123.11694	12.1
125.09621	0.6
127.03922	1.1
127.07578	1.3
129.06996	1.9
131.08560	3.4
133.06522	0.6
133.10124	5.2
135.08012	1.3
135.11687	3.7
137.09583	0.7
137.13240	0.7
139.11154	1.6
145.04932	1.0
145.10092	1.5
147.11674	26.1
148.11986	0.7
149.09537	1.0
149.13249	16.1
149.76724	0.6
151.11191	0.8
157.10104	1.4
159.11678	6.0
163.05956	1.1
163.11205	1.0
165.12737	10.2
175.11211	1.3
177.12711	3.2
182.87633	0.5
183.13768	0.7
188.88681	0.6
193.12216	2.4
195.13773	6.6
213.14828	1.8
229.14336	2.7
235.13359	0.9
251.16588	0.8
253.06735	0.6
267.15894	32.2
267.94864	0.7
268.16150	1.5
269.17459	53.4
270.17853	1.6
275.20172	0.8
285.16959	17.9
286.17630	0.6
313.98587	0.7
316.41727	0.5
410.54868	0.7
443.28009	1.2
447.89526	0.7
461.28806	4.5
477.28262	0.9
478.29065	1.6
479.29984	100.0
480.30588	3.8
487.17831	0.7
493.31631	1.3
559.36224	0.7
573.37769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.1
65.03935	1.4
67.05499	36.1
69.03422	4.3
69.07062	11.8
71.01337	1.2
71.04985	4.3
71.15047	2.1
73.02904	2.4
78.50841	0.6
79.05483	27.4
79.05946	1.3
81.03412	34.9
81.07050	48.4
83.04977	9.8
83.05451	1.2
83.08121	1.0
83.08615	19.8
85.02401	1.4
85.02897	18.8
85.06522	3.4
91.03942	5.2
91.05475	23.0
93.07038	32.3
94.07374	0.7
95.04964	16.6
95.08596	13.3
97.02869	5.1
97.06538	7.9
97.10144	2.7
99.04436	0.9
99.08064	1.8
105.07022	14.6
107.04925	2.8
107.08586	17.9
109.06516	4.0
109.10151	2.6
109.17382	0.7
111.04434	1.1
111.08068	9.6
111.47837	0.6
113.05983	1.6
115.05498	0.9
117.06985	5.0
119.08563	9.4
121.06528	2.1
121.10138	12.3
123.08067	1.4
123.11657	2.0
125.09595	1.2
127.03902	2.5
127.07430	0.7
129.06996	5.3
131.08566	10.2
133.10126	8.7
135.08052	1.4
135.11691	3.8
139.11180	1.0
140.94485	0.7
142.07773	1.5
145.04924	2.2
145.10115	1.2
147.08067	2.1
147.11679	9.2
149.09601	3.1
149.13251	15.7
151.11139	1.1
157.10106	6.5
159.11667	7.4
163.05981	1.5
163.11176	0.8
165.12775	1.5
175.11189	7.9
177.12697	2.9
193.12236	20.7
195.13773	6.4
211.13278	28.2
213.14761	1.1
245.86378	0.8
249.14975	1.0
261.95303	0.8
267.15909	18.9
269.17459	66.1
270.17749	1.8
285.16946	23.2
370.98022	0.7
435.27469	1.3
445.52481	0.7
461.28967	40.5
462.29578	2.0
479.30017	100.0
480.30377	4.6
623.34253	2.0
829.07819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	6.9
65.03928	1.3
67.05499	33.5
69.03429	3.8
69.06702	0.9
69.07056	10.4
71.04991	4.1
71.15181	1.1
73.02901	2.7
79.05486	26.5
81.03413	42.8
81.07050	43.8
83.04977	10.9
83.08614	20.7
85.02399	1.2
85.02896	19.3
85.03413	1.1
85.06518	2.7
91.03954	4.2
91.05474	25.8
93.07037	33.8
95.04963	17.9
95.08601	12.0
97.02887	5.5
97.06528	7.0
97.10153	2.5
99.04411	1.0
99.08076	2.0
102.15661	0.6
105.06363	0.9
105.07027	13.1
107.04960	4.3
107.08585	16.0
109.06512	3.7
109.10136	2.4
111.04417	1.2
111.08063	9.6
113.05978	1.6
113.09627	0.5
115.05418	1.2
117.07036	4.7
119.08565	10.9
121.06493	1.5
121.10128	12.6
123.08064	2.0
123.11713	2.0
125.09627	1.4
127.03878	2.0
129.07007	6.8
131.07663	1.1
131.08559	12.0
133.06496	2.0
133.10120	10.5
135.08047	0.8
135.11676	3.7
137.09601	0.9
137.74860	0.6
139.11217	0.7
142.07784	1.7
145.04953	1.7
145.10126	0.8
147.08049	1.8
147.11674	10.4
149.09618	3.8
149.13245	13.1
153.09082	0.6
157.10109	10.6
159.11676	6.6
163.06029	1.8
163.11180	0.9
165.12762	1.8
175.11194	9.2
177.12737	2.6
193.12230	26.8
195.13809	5.8
211.13272	35.8
212.13625	0.6
215.59500	0.6
249.14919	1.1
267.15897	26.8
268.16122	0.7
269.17459	53.1
270.17816	1.0
285.16946	28.6
286.17258	0.7
401.83649	0.6
417.25778	0.7
426.04297	0.6
435.27396	2.2
443.27753	1.0
461.28961	67.0
462.29062	3.0
479.30026	100.0
480.30399	4.3
503.30310	0.7
623.34143	2.6
707.81433	0.7
806.82196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.7
68.99780	7.7
79.01863	4.0
81.03408	1.5
84.42337	0.7
97.02899	1.3
107.01330	0.9
109.02847	3.2
111.00790	11.6
123.04397	7.8
125.02328	2.3
127.03905	55.7
128.04230	1.0
133.02850	2.6
137.02356	0.8
139.03886	20.1
140.04240	0.9
143.03392	6.6
147.04413	4.7
149.02367	2.3
151.03900	21.1
153.01817	60.6
153.02882	2.8
154.02101	1.3
155.03395	4.1
157.06392	1.3
159.04407	1.9
163.03902	3.5
171.04424	3.4
173.05992	1.9
175.03900	10.7
177.05492	4.7
179.03383	33.0
185.05899	1.5
189.05438	2.6
191.03255	1.1
199.03893	7.5
200.04303	0.9
201.05441	5.1
203.03380	18.6
205.04976	1.4
213.05426	6.1
217.04965	9.7
219.02969	1.4
219.06520	3.5
221.04565	1.0
227.03317	2.5
229.04988	2.8
231.06596	2.7
237.05501	1.2
241.04895	3.9
245.04454	25.8
247.02345	1.3
253.04826	1.3
257.04459	3.2
257.35703	0.8
259.06009	3.5
263.05466	24.4
264.05853	1.5
265.04974	0.9
269.04382	7.5
271.06012	1.1
273.03937	2.1
275.05527	2.7
277.06964	1.0
283.05838	1.5
285.04001	1.1
287.05475	100.0
288.05884	3.2
289.07346	0.9
293.04428	1.4
299.05432	4.4
303.05020	3.7
305.06500	21.7
311.05383	4.2
319.05966	0.9
321.04019	2.2
321.07559	2.8
329.06677	4.2
331.04422	4.2
337.06912	1.1
339.04910	1.7
345.97546	0.9
349.06927	2.9
381.05936	1.1
405.06033	7.8
413.08548	1.9
422.68564	1.0
423.07098	15.7
431.09396	1.0
435.07138	4.7
437.08810	1.2
441.08054	1.3
447.07025	4.3
457.07507	7.6
465.08191	4.8
573.10168	4.5
591.11230	1.9
593.08752	1.6
678.62042	1.0
721.01440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07404	0.4
59.04994	2.2
61.02923	10.5
65.03938	1.5
67.05500	60.5
68.05830	0.6
69.03419	2.3
69.07066	4.6
69.38567	2.4
69.38995	2.6
71.04988	2.7
71.08627	17.1
73.02904	3.5
75.04462	0.7
76.02949	0.5
77.59554	0.4
79.05479	1.2
81.03415	1.4
81.07052	14.6
83.08615	9.4
85.02900	11.1
85.06540	2.1
85.10175	8.6
89.06027	1.1
90.17650	0.5
91.03949	7.6
91.05473	3.4
93.07048	2.6
95.08597	14.4
97.02885	6.1
97.10164	3.3
99.04465	0.7
99.19181	0.5
103.03915	0.5
103.07630	0.7
107.08608	1.5
109.02872	0.7
109.10150	66.7
110.10523	1.1
111.08085	2.9
115.03946	0.5
119.08582	4.8
123.11706	2.2
125.00086	0.6
127.03905	3.0
128.86534	0.5
137.09627	2.1
137.13202	1.4
145.04985	3.5
151.14784	0.4
152.65338	0.4
155.10635	3.2
157.83195	0.5
162.88924	0.5
163.06020	4.1
165.81502	0.5
173.11725	18.4
184.07358	1.9
229.14340	100.0
230.14743	4.0
239.23659	1.4
257.24753	1.7
313.27347	73.4
314.27737	3.0
437.43997	0.5
467.37314	69.3
468.37506	4.2
476.67548	0.5
537.13611	0.5
599.60596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65836	0.5
60.81019	0.4
61.02918	2.3
62.56269	0.5
62.67021	0.4
65.03931	1.4
67.05502	26.2
69.03406	1.0
69.07072	7.0
70.30315	2.2
71.04991	1.1
73.02915	1.0
76.47004	0.5
77.72984	0.5
79.05492	25.1
81.03423	3.3
81.07053	28.1
83.04978	4.5
83.08603	4.5
85.02915	3.0
85.06544	1.9
91.03961	1.5
91.05475	19.8
93.07043	32.7
93.50618	0.5
95.04967	6.4
95.08604	10.5
97.02893	1.6
97.06512	4.0
97.10140	1.4
99.08080	1.3
105.07024	12.4
107.04953	1.9
107.08591	12.5
109.06517	2.8
109.10150	2.1
111.08076	2.1
115.05439	0.5
117.07019	3.7
119.08586	7.3
121.06522	0.8
121.10135	5.2
123.08071	1.7
123.11713	0.8
128.06256	0.7
129.06993	4.7
131.08597	3.1
133.10126	4.0
135.08040	0.6
135.11702	3.3
143.08562	2.5
145.10101	3.1
147.08020	0.9
147.11682	11.4
149.13252	7.5
159.11665	4.4
159.29941	0.5
161.09604	1.1
161.13234	3.5
163.05986	0.5
171.11684	7.0
177.12788	1.4
189.12697	2.7
195.13811	2.3
207.13783	7.0
225.14874	0.7
267.15979	0.6
269.17468	19.0
281.17496	18.9
281.20615	1.0
282.17816	0.6
306.80344	0.5
387.40387	0.6
457.29813	1.1
457.36627	0.5
464.22455	0.5
475.30539	100.0
476.30777	6.4
741.82690	0.6
778.96936	0.6
813.40314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.2
67.05496	35.4
69.03414	10.5
69.07059	35.1
71.29156	1.9
79.05478	32.8
81.03412	10.3
81.07047	46.9
83.04962	6.3
83.08598	6.6
85.02885	1.8
91.04931	2.8
91.05471	40.1
93.07033	32.3
95.01304	4.9
95.04943	11.5
95.08593	22.7
97.02869	6.7
97.05953	2.7
97.06522	28.2
97.10142	6.2
105.06340	3.3
105.07018	54.8
107.04939	16.0
107.08584	17.0
109.06474	2.3
109.10117	9.5
117.06978	13.1
119.08560	28.0
121.06471	3.7
121.10135	8.0
123.04382	2.7
123.08054	5.1
125.09608	7.1
129.06982	3.7
131.08543	18.0
133.06493	3.9
133.08588	1.9
133.10103	26.2
135.08084	1.8
135.11670	5.4
137.09572	4.2
139.07503	1.8
143.08543	3.4
145.06491	2.9
145.10089	14.6
147.08003	4.1
147.11656	10.1
149.09586	6.5
149.13222	5.9
151.11235	3.0
155.08578	1.8
157.10066	3.4
159.08257	1.7
159.11693	7.7
161.09610	2.9
161.13182	2.7
163.11176	4.6
165.09135	2.4
169.10059	2.6
171.11662	2.9
175.11130	2.8
177.12712	3.8
179.14308	9.6
184.07323	2.6
187.11169	4.3
192.84210	2.1
193.12259	1.9
223.13315	11.2
225.32231	1.9
227.12762	3.6
241.21342	1.9
247.20490	2.7
249.14963	2.5
255.17542	2.6
257.18988	4.2
273.18430	11.8
275.20023	57.9
291.19498	50.9
292.19769	2.2
293.21036	3.6
328.30307	2.2
347.22110	3.1
349.23727	28.1
365.23154	44.9
366.23010	2.2
621.41840	2.9
639.42480	100.0
640.41913	3.3
860.44678	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	825.142
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95457	0.4
70.62144	1.8
72.05684	0.4
88.20641	0.5
136.93996	1.1
162.95647	0.8
179.81012	0.5
179.82657	0.5
187.43694	0.4
199.51462	0.5
253.00839	60.4
254.01137	1.0
268.98227	100.0
269.98547	1.5
290.96606	0.6
292.52625	0.5
350.97342	7.0
362.97318	1.0
365.10510	1.5
381.07831	2.3
410.99460	1.3
483.02765	19.7
484.03162	0.5
501.02829	0.5
607.89105	0.6
612.26111	0.5
721.86304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	2.1
60.08146	1.3
61.02918	9.2
65.03931	1.1
67.05498	65.3
69.03431	1.5
69.07058	5.7
71.04974	2.6
71.08255	1.3
71.08624	19.6
73.02906	3.8
79.05455	1.4
81.03416	1.0
81.07051	16.0
83.08166	1.3
83.08607	11.4
83.48878	0.8
85.02896	12.1
85.06528	1.6
85.10172	10.1
86.09703	7.0
87.41869	0.8
91.03944	6.7
91.05481	3.8
93.07036	2.9
95.08594	19.8
97.02869	7.1
97.10164	3.2
98.20680	1.9
98.98444	0.8
99.04446	1.2
99.11761	0.9
103.03924	0.8
103.07584	0.9
107.08561	1.4
109.10145	71.5
110.10474	0.8
111.08059	2.5
111.71423	0.9
115.21230	0.9
119.08568	5.3
121.01025	0.7
123.11682	2.5
124.99963	5.0
127.03892	3.2
135.11707	0.9
137.09610	2.7
137.13246	1.4
145.04932	2.9
155.10654	3.3
163.06013	3.6
163.86662	0.7
173.11716	18.4
184.07312	18.7
229.14326	82.0
229.96353	0.8
230.14734	1.2
239.23727	1.9
257.24738	1.9
313.27335	77.7
314.27588	1.8
467.37292	100.0
468.37592	4.6
543.36182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.3
65.03925	5.0
67.05499	93.9
69.03426	7.7
69.06703	2.3
69.07063	30.6
70.66311	4.4
71.01319	1.4
71.04971	4.2
73.02897	2.3
79.05485	77.0
81.03406	9.3
81.07051	100.0
83.04968	10.3
83.08614	16.2
85.02892	6.6
85.06531	4.8
86.09635	1.2
91.05476	59.4
93.07037	89.9
95.04967	13.2
95.08600	62.2
95.09223	2.3
97.02880	4.4
97.06515	11.6
97.10164	5.6
99.04434	1.4
99.08078	3.5
103.05464	2.0
105.04489	2.1
105.07021	42.2
107.04932	5.5
107.08588	45.7
109.02896	1.9
109.06523	6.3
109.10154	22.0
111.08073	6.2
113.09642	1.7
114.64509	1.2
115.05415	2.0
115.72233	1.1
117.07013	18.9
118.84938	1.3
119.08575	33.3
121.06466	3.9
121.10133	32.0
123.04435	1.8
123.08059	5.4
123.11709	6.6
125.09594	2.5
127.03887	3.3
128.06171	2.2
129.05493	1.4
129.06969	8.5
131.08565	26.3
133.10112	29.2
135.08032	4.8
135.11676	20.0
137.09610	2.6
137.13208	2.4
141.06981	1.6
143.08539	4.4
145.10109	18.5
147.08070	1.5
147.11687	12.5
149.09612	7.4
149.13235	16.3
155.08522	2.4
157.10107	6.7
159.11705	17.0
161.09511	1.6
161.13271	8.1
163.11171	5.9
163.14819	2.9
169.10135	3.7
171.11691	5.0
172.40335	1.2
173.04482	3.6
173.13266	8.4
175.14810	2.5
177.12730	5.0
177.16394	1.3
179.14365	1.7
183.11755	2.6
184.07310	3.8
185.13287	7.2
187.14806	3.6
189.16345	2.0
195.12029	1.2
195.13806	5.4
197.13255	3.4
199.14799	3.2
201.16373	3.4
203.14493	1.8
209.13322	1.4
211.14835	1.7
217.15874	2.5
219.17427	2.3
229.19327	2.1
235.17023	1.8
239.17915	3.8
241.19606	1.6
243.21101	3.4
247.20561	1.9
255.15945	7.9
257.19034	6.6
259.20532	3.6
261.22113	11.4
267.15906	1.6
269.17471	32.0
275.20041	22.3
277.21542	2.5
291.19513	1.5
293.20984	2.6
309.20642	6.3
317.24832	2.1
333.24222	2.2
335.25766	94.6
335.75925	1.2
336.26074	3.2
349.23792	20.2
367.24661	3.0
461.48901	1.6
515.37299	17.0
529.38873	55.9
530.39209	3.2
569.33276	2.2
569.41852	16.5
609.45087	19.2
627.46228	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	824.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.8
61.02908	2.5
65.03925	2.3
66.84706	1.2
67.05496	70.4
68.05846	1.7
69.03428	7.6
69.07057	20.6
70.29802	6.1
71.04985	8.9
71.20721	1.4
73.02934	1.7
76.20825	1.4
79.05038	2.8
79.05486	48.3
81.03410	62.2
81.07049	54.4
83.04965	12.7
83.08611	22.8
85.02895	8.5
85.06532	3.8
91.03927	2.3
91.05470	44.1
92.05847	1.6
93.07033	48.3
95.04958	36.7
95.08596	27.3
97.02888	6.6
97.06520	15.5
97.10167	14.7
98.20751	1.7
99.08052	2.1
101.02442	1.3
105.07014	34.3
107.04945	10.9
107.08586	38.6
109.06512	12.9
109.10144	36.7
111.04462	2.2
111.08092	10.5
113.09639	1.8
116.41965	1.3
117.06995	12.5
119.08575	27.9
121.06500	6.7
121.10124	19.0
122.52016	1.4
123.08049	6.0
123.11707	4.1
125.09601	11.0
127.03821	1.5
128.06184	2.1
129.06999	17.5
131.08554	20.6
131.12509	1.3
133.06503	3.8
133.10117	27.7
135.08040	8.2
135.11682	33.8
137.06046	1.6
137.09608	5.5
141.06966	2.2
142.07771	2.8
143.08543	5.8
145.06499	2.8
145.10124	15.4
147.08017	6.0
147.11687	17.0
149.09604	11.3
149.13240	5.7
151.11174	6.9
153.09099	2.4
155.08530	3.1
157.10109	15.5
159.11650	7.1
161.09579	3.3
161.13252	2.8
163.11156	12.4
165.12759	6.3
167.08612	1.5
169.10147	2.7
171.11662	4.6
173.09570	3.5
173.11702	8.9
173.13264	3.6
175.11166	14.5
177.12688	4.5
181.12254	5.3
183.11649	3.0
184.07320	2.2
185.13298	3.5
189.11156	3.9
193.12215	30.2
195.13902	1.7
197.13130	2.1
199.14905	3.2
205.12169	2.5
211.13199	6.9
223.13197	1.8
227.12749	9.6
228.72223	1.4
229.14325	29.6
233.15552	1.6
249.14845	3.8
255.15875	22.4
256.16382	1.8
257.18976	2.3
267.15887	87.4
268.16327	2.4
269.17447	5.4
275.20038	13.4
285.10162	1.4
285.16980	6.8
293.21124	2.7
299.20157	2.3
301.14133	1.8
329.20886	1.8
349.23828	12.6
367.24759	15.3
369.24142	3.8
373.23477	1.9
387.25278	2.1
403.24796	3.2
421.25806	41.3
429.26117	2.2
435.27100	2.0
443.27850	5.0
447.27411	24.6
449.30667	1.9
461.28961	42.0
463.26962	1.8
464.30579	1.7
465.28424	100.0
466.28748	5.9
467.31430	2.8
479.29977	3.1
485.32889	1.6
493.31531	17.1
501.31717	2.9
523.34088	2.3
541.35291	40.8
542.35675	2.1
559.36292	39.2
591.37878	2.3
592.56537	1.5
824.36829	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	824.427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.4
62.96060	0.9
65.03917	1.2
67.05499	38.4
69.03409	4.6
69.07060	11.2
71.01334	3.1
71.04980	5.4
73.02899	2.1
79.05040	2.4
79.05485	39.3
81.03411	45.8
81.07050	25.1
83.04981	12.1
83.08606	16.2
85.02474	1.4
85.02900	17.7
85.06522	2.7
91.03937	4.0
91.04951	1.4
91.05474	24.8
93.07036	34.4
95.04955	18.9
95.08620	7.3
97.02906	5.4
97.06519	9.0
97.10155	9.7
99.08046	2.7
105.07031	14.2
107.04939	3.6
107.08583	23.9
109.06503	3.3
109.10152	5.3
111.04426	2.8
111.08072	6.4
113.05986	1.5
115.05406	1.5
117.06997	4.2
119.04942	1.1
119.08569	14.3
121.06458	3.3
121.10132	10.1
123.08048	2.6
125.05946	1.2
125.09591	2.2
127.03882	1.4
129.07019	6.9
131.08542	8.7
133.10104	9.3
135.08006	1.7
135.11682	36.2
137.09634	2.0
139.03934	1.1
142.07782	1.3
145.04961	2.0
145.10127	8.3
145.22372	1.3
147.04395	1.3
147.08046	3.4
147.11670	12.6
149.09615	5.1
151.11157	1.4
153.12744	1.4
157.10085	8.4
163.05984	2.1
163.11192	5.6
165.12784	2.9
175.11185	9.3
181.12248	6.3
192.46146	1.0
193.12247	26.7
199.13271	2.1
211.13266	30.6
213.03233	1.2
249.14793	1.6
255.15894	84.7
256.16174	2.3
267.13263	2.0
267.15909	22.1
285.16953	18.4
338.23590	1.2
421.25809	2.6
447.27411	56.9
448.27548	3.1
465.28458	100.0
466.28726	4.4
609.32831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	8.7
65.03919	4.5
67.05499	85.3
69.03430	5.0
69.07076	20.6
69.53524	6.8
69.53926	22.9
71.04613	2.5
71.04988	6.9
79.05490	49.1
81.03418	5.8
81.07050	82.8
83.04971	15.7
83.08602	8.5
85.06538	4.4
86.09684	3.3
91.00476	2.7
91.05473	61.4
93.07035	51.2
95.04955	10.0
95.08599	43.1
97.06539	6.8
105.07021	50.3
107.04949	6.5
107.08589	44.9
109.06531	8.8
109.10142	52.8
111.08025	3.5
115.05429	3.2
117.07020	10.4
119.08557	19.2
121.06488	6.6
121.10119	20.7
123.08086	3.8
123.11695	7.9
127.07555	4.3
131.08566	12.7
133.06450	4.8
133.10115	66.1
135.08049	7.2
135.11690	13.2
143.08522	3.4
145.10127	7.1
146.70427	2.7
147.11699	8.9
149.09593	9.1
149.13322	3.8
151.11177	29.4
152.82115	2.9
157.10126	3.6
159.11642	8.9
161.09613	7.7
161.13255	3.5
169.12245	5.8
171.11688	3.5
173.09665	3.6
173.13266	5.9
183.24286	3.5
184.07268	14.9
215.12744	2.9
245.18953	3.2
251.12688	3.2
253.14355	100.0
261.22137	16.6
263.20163	6.2
273.18439	29.4
291.19516	32.4
329.53500	2.8
335.25769	90.0
335.29803	4.9
336.26077	6.3
347.22244	7.1
365.23260	32.8
513.35455	6.1
531.36749	40.7
607.43359	9.0
625.44604	72.1
626.44482	4.1
748.80518	3.2
822.87885	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	822.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	7.7
57.07066	1.3
60.08158	1.2
61.02908	1.4
65.03935	2.9
67.05500	55.4
67.70167	0.7
68.05815	0.9
69.03429	6.9
69.07063	30.0
69.28259	1.0
69.57482	3.0
69.57915	4.8
71.04968	2.4
71.07359	1.3
79.05489	40.1
81.03405	4.5
81.07051	41.3
82.07425	0.9
83.04961	4.2
83.08607	9.4
85.06514	1.1
86.09705	9.3
91.03877	1.0
91.04942	1.4
91.05476	24.0
93.07035	36.9
95.04966	7.6
95.08599	33.2
95.09221	1.5
97.02889	7.3
97.06538	2.8
97.10159	11.2
104.10711	1.3
105.07026	18.5
107.04909	5.3
107.08591	22.0
109.06504	1.8
109.10147	14.9
111.08078	2.6
115.05450	1.7
117.07019	7.6
119.04937	1.0
119.08572	13.3
121.06494	3.1
121.10126	12.9
121.15045	0.8
123.08047	3.8
123.11691	3.3
125.00005	6.7
125.09647	8.4
126.34619	0.9
128.06245	1.5
129.06993	3.2
130.07895	1.2
131.08554	11.4
133.06494	2.8
133.10121	8.2
135.08054	3.1
135.11673	8.2
137.09613	3.5
143.08551	3.0
145.06485	1.5
145.10103	8.2
147.08031	4.4
147.11629	4.9
149.09627	1.2
149.13243	5.8
150.62766	0.8
151.11172	1.0
153.09048	1.2
157.06503	0.9
157.10077	1.7
159.11638	5.4
161.09625	2.1
161.13274	2.5
163.11176	1.3
163.14902	1.1
165.09064	1.0
171.11693	2.1
173.13261	2.6
175.14789	1.6
184.07326	29.5
185.13348	1.6
187.11324	0.9
187.14816	1.0
189.11234	3.9
193.12173	1.3
195.13844	1.2
199.14763	0.9
205.12230	2.1
211.13196	1.4
211.65152	1.0
223.13277	20.1
227.12764	3.5
243.21144	1.6
249.14854	2.8
261.22076	8.6
263.20224	1.8
273.18448	12.3
275.20099	1.1
291.19522	100.0
292.19928	3.2
308.35489	0.8
309.20523	1.2
317.24762	2.7
335.25775	91.4
336.26254	3.8
347.21997	1.8
365.23203	49.2
366.23511	1.4
430.76138	0.9
545.38397	4.1
625.44617	85.7
626.45172	7.2
643.46094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	16.5
59.04988	3.1
60.04533	3.9
61.02901	5.1
65.03938	2.7
67.05499	100.0
69.03419	9.3
69.07061	36.4
71.01351	3.3
71.04974	13.7
72.91226	1.5
79.05032	3.6
79.05485	58.5
81.03411	75.4
81.03891	4.3
81.07050	73.1
83.04961	12.4
83.08617	24.9
84.04502	4.1
85.02892	7.2
85.06529	6.0
87.04462	3.7
91.05473	60.7
91.55395	1.4
93.07039	50.3
95.04964	35.7
95.08598	32.9
96.08930	1.5
97.02883	6.6
97.06523	16.5
97.10175	12.7
98.21485	3.3
99.04426	2.3
99.08070	2.4
100.22902	1.7
105.07016	38.9
107.04958	14.3
107.08571	29.7
108.08958	1.8
109.02843	2.1
109.06509	10.7
109.09426	2.8
109.10143	43.8
111.04430	4.5
111.08071	11.0
113.06001	1.8
113.09642	2.0
115.05434	3.3
117.07015	15.4
117.72940	1.7
119.04917	2.0
119.08578	32.6
121.06478	6.4
121.10133	19.7
123.04436	2.6
123.08086	7.9
123.11708	4.0
125.09621	13.6
127.03888	1.9
128.06216	1.9
129.05486	3.0
129.06989	14.8
131.04868	2.3
131.08556	25.4
132.98358	1.8
133.06480	5.7
133.10124	21.8
135.08044	4.5
135.11688	14.4
137.09660	9.4
141.06993	2.9
142.07794	4.0
143.08534	5.4
145.06448	4.9
145.10104	16.5
147.08002	6.0
147.11700	15.4
148.05957	1.7
149.09613	17.2
149.13255	6.4
151.11168	5.5
155.08559	4.6
155.10704	2.3
157.10121	11.5
159.11679	8.7
161.09634	3.8
161.13266	4.9
163.11153	10.6
165.12733	4.1
169.10107	3.5
171.11606	4.4
173.04382	2.0
173.09575	5.2
173.11732	12.8
173.13245	4.4
175.11128	11.1
177.12709	4.6
179.14345	2.2
183.11653	4.8
184.07335	1.6
185.13275	3.1
189.11198	4.9
191.10544	1.7
193.12230	25.8
195.13788	2.6
205.12175	2.6
207.13721	1.7
211.13289	4.9
219.13860	2.0
225.14851	4.5
227.12723	11.0
229.14339	33.7
229.53423	1.8
241.14326	3.2
243.15849	4.8
249.14848	3.1
255.15898	5.8
259.15375	2.0
267.15903	63.2
268.16153	2.8
269.17401	8.2
273.18365	2.7
275.20059	11.4
276.20358	4.4
285.16858	3.9
291.19571	6.4
316.28589	3.5
329.21057	3.8
349.23730	14.9
365.23026	2.2
399.20538	1.8
421.25760	21.5
422.26584	1.9
423.27145	5.9
435.27228	5.4
445.29312	1.8
447.27319	16.0
455.29993	5.6
461.29370	2.2
463.30276	5.9
467.31061	2.0
495.33139	3.5
541.35193	27.9
543.36426	3.0
545.38336	2.6
557.34735	3.5
559.36267	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.8
57.07052	1.0
61.02917	5.2
64.38536	0.5
65.03926	1.2
65.84695	0.4
67.05496	29.6
69.03409	1.6
69.07061	8.7
71.04990	2.6
71.17101	1.1
72.74725	0.4
73.02905	1.9
77.03873	0.5
79.05027	0.9
79.05482	17.0
81.03428	2.5
81.07047	40.7
83.04963	3.4
83.08612	9.6
85.02895	7.9
85.06525	1.7
91.03956	3.8
91.05471	12.0
93.07034	25.4
95.04950	3.2
95.08596	9.4
97.02861	3.4
97.06528	5.3
97.10137	1.4
99.04414	0.8
99.08079	0.7
105.04527	0.6
105.07022	5.3
107.04965	0.6
107.08584	16.9
109.02908	0.4
109.06503	1.4
109.10137	3.1
111.08079	3.3
117.06998	4.9
119.08545	2.1
121.06495	1.6
121.10145	6.3
123.08048	0.5
123.11701	3.1
125.09658	0.7
127.03860	1.9
129.07028	0.5
131.08553	5.0
133.10118	7.7
135.08075	1.2
135.11671	5.4
145.04910	1.3
145.10120	0.4
147.11679	1.0
149.09615	0.7
149.13234	9.6
149.14307	0.8
151.11160	1.6
157.10165	0.4
159.11664	4.8
163.05988	1.7
165.12701	0.5
177.12704	2.1
195.13782	8.5
213.14868	0.7
251.16356	2.6
267.15826	0.6
269.17453	35.4
270.17813	1.2
353.24976	0.6
395.20609	0.6
413.21786	0.8
445.29492	3.1
463.30499	100.0
464.30722	4.7
471.55667	0.5
607.34680	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	822.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.0
57.07075	0.7
61.02919	4.5
65.03951	0.6
67.05501	27.5
68.05845	0.4
69.03415	1.4
69.07063	9.2
70.24370	1.6
71.04983	2.3
73.02917	1.6
77.03893	0.4
79.05487	16.9
81.03416	5.0
81.07049	38.2
82.07381	0.5
83.04974	2.5
83.08617	8.3
85.02892	6.8
85.06528	2.0
91.03956	3.5
91.05470	12.0
93.07037	22.7
95.04966	3.2
95.08598	9.7
97.02879	3.7
97.06529	4.9
97.10172	1.7
99.04433	0.7
99.08114	1.4
105.04505	0.5
105.07019	6.6
107.04945	1.1
107.08585	14.6
109.02887	0.5
109.06535	1.6
109.10159	2.4
111.04456	0.4
111.08078	3.1
111.11722	0.5
113.06030	0.4
113.09633	0.7
115.05453	0.3
117.07005	6.1
119.08576	3.5
121.06480	1.5
121.10129	8.0
123.08032	0.8
123.11687	2.4
125.05958	0.4
125.09605	1.0
127.03892	1.6
129.07021	1.8
131.08556	7.6
133.06465	0.4
133.10117	7.7
135.08054	1.8
135.11688	4.8
137.09590	0.5
139.11101	0.4
141.06978	0.5
143.08563	1.3
145.04950	1.4
145.10107	2.1
146.70105	0.3
147.08058	0.4
147.11688	1.9
149.09650	0.7
149.13243	11.0
151.11247	0.7
153.09114	0.4
155.08568	0.8
157.10112	1.5
159.11673	5.8
163.05988	1.1
165.12744	0.5
169.10066	0.8
171.11613	0.8
173.13290	0.5
177.12726	2.8
179.08755	0.3
183.11668	0.6
185.13248	0.6
193.12227	0.6
195.11987	0.5
195.13773	6.7
197.13321	0.9
199.14796	0.4
201.16405	0.3
209.13332	0.3
211.13245	0.5
213.14737	0.8
221.12926	0.4
227.12781	0.8
229.14276	0.5
251.16312	1.5
267.15793	3.0
269.17453	20.0
270.17859	0.5
273.18445	0.6
275.20132	0.3
279.70215	0.3
291.19449	0.7
335.23700	0.6
343.26315	0.4
353.24738	1.4
365.23074	0.4
371.25836	1.2
389.26938	0.9
395.20502	0.4
413.21683	0.6
427.28482	0.4
435.31116	0.5
445.29517	12.4
459.27271	1.0
463.30521	100.0
464.30869	3.6
477.28192	0.8
481.31146	0.5
557.34546	1.2
575.35516	0.9
589.33777	0.9
607.34705	5.7
751.38940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.2
57.07070	0.6
61.02925	5.5
65.03916	1.1
67.05500	30.3
69.03418	1.4
69.06707	0.7
69.07065	11.0
71.04989	2.6
73.02905	2.1
79.05487	17.7
81.03415	4.9
81.07051	39.5
83.04974	3.9
83.08617	8.6
85.02907	6.4
85.06541	2.3
91.03947	3.1
91.05474	14.3
93.07040	29.4
95.04964	4.3
95.08603	11.9
96.08915	0.5
97.02879	3.4
97.06523	6.7
97.10152	1.9
99.04415	1.0
99.08070	1.3
105.07018	7.6
107.04920	1.2
107.08585	16.8
109.06519	1.4
109.10143	3.6
111.08070	3.5
115.42492	0.5
117.07005	6.3
119.08564	5.4
121.06477	1.7
121.10130	9.0
123.08060	1.0
123.11718	2.4
125.09608	0.9
127.03915	1.9
129.05516	0.7
129.06953	2.5
131.07658	0.9
131.08562	8.3
133.06502	0.7
133.10120	8.0
135.08034	2.0
135.11688	5.2
139.11197	0.6
141.06924	0.7
143.08577	1.9
145.04973	1.2
145.06442	0.6
145.10104	3.1
147.08012	0.7
147.11684	2.2
149.09601	1.5
149.13242	10.6
149.14334	0.9
151.11160	1.1
155.08537	1.3
157.10138	1.8
159.08109	0.6
159.11693	6.8
163.05991	1.2
163.11134	0.5
167.08533	0.5
169.10173	1.2
171.11710	1.0
173.04448	0.9
173.13153	0.6
175.11156	0.9
177.12746	3.4
183.11867	0.6
185.13216	0.8
195.12038	1.0
195.13774	5.8
197.13359	0.6
213.14772	0.6
225.97581	0.5
229.14291	0.8
233.15440	0.7
251.16425	1.5
267.16049	1.2
269.17459	22.3
335.23544	0.6
339.18039	0.7
343.26309	1.1
353.24814	1.7
371.25833	2.1
389.26776	1.4
395.20273	0.6
413.21738	1.1
417.29785	0.6
427.28149	0.7
443.27835	0.5
445.29501	16.4
447.27798	0.6
463.30530	100.0
464.30746	2.8
481.31454	1.2
529.32501	0.7
539.33606	0.6
557.34515	0.9
571.32825	0.9
589.34052	0.9
607.34766	10.7
608.34698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03160	0.4
57.03432	4.8
57.07062	0.5
61.02918	4.0
65.03934	1.0
67.05499	27.1
69.03428	0.9
69.07063	8.8
70.26308	0.7
70.26715	0.5
71.01341	0.4
71.04988	2.0
71.08620	0.4
73.02914	1.5
77.03917	0.4
78.91422	0.2
79.05487	15.8
81.03407	2.2
81.07049	37.0
82.07407	0.3
83.04977	2.8
83.08615	7.7
85.02900	4.0
85.06530	1.9
86.17054	0.2
89.44901	0.2
91.03941	2.5
91.05471	9.9
93.07035	25.7
95.04966	2.6
95.08598	9.0
96.04484	0.3
97.02887	2.5
97.06521	5.0
97.10160	0.7
99.04446	0.6
99.08075	1.1
99.67096	0.3
105.04494	0.2
105.07019	3.6
107.04935	0.7
107.08585	15.3
108.48308	0.3
109.06509	1.3
109.10152	2.3
111.08058	3.2
111.11700	0.5
113.06020	0.3
113.09677	0.3
113.86176	0.2
117.07007	4.4
119.08567	1.2
121.06515	1.0
121.10133	7.2
123.08093	0.5
123.11668	1.6
125.09612	0.5
127.03897	1.0
127.07577	0.4
129.06967	0.5
131.08562	4.6
133.10112	5.6
135.08072	1.2
135.11681	4.1
135.12662	0.4
139.07393	0.3
139.11230	0.6
143.08594	0.3
144.09377	0.3
145.04945	0.9
147.11694	1.0
149.09557	0.7
149.13245	13.1
151.11200	0.6
157.10104	0.3
159.11678	5.5
163.06032	1.0
167.14337	0.4
177.12700	2.2
181.91412	0.2
195.13797	6.3
213.14877	0.9
251.16328	0.8
267.15811	0.5
269.17453	33.7
270.17850	0.9
353.24695	0.3
392.94138	0.3
413.21469	0.6
445.29517	0.8
463.30518	100.0
464.30923	5.3
607.34949	2.5
652.83148	0.3
752.70044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02633	0.3
57.03159	0.4
57.03434	6.6
57.07067	1.1
61.02924	4.6
65.03933	1.1
66.04706	0.2
66.38879	0.2
67.05501	35.9
68.05823	0.3
69.03427	1.3
69.07065	12.8
71.01351	0.5
71.04986	2.6
71.08649	0.5
73.02917	1.2
77.72468	0.2
79.05490	20.1
81.03395	2.2
81.07052	44.7
82.07386	0.5
83.04977	3.9
83.08617	10.1
84.12306	0.2
85.02901	4.3
85.06549	2.7
87.04436	0.3
87.95772	0.2
91.03945	2.5
91.05474	10.4
92.05813	0.3
93.07037	34.8
94.07397	0.5
95.04965	3.8
95.08601	11.1
97.02882	2.2
97.06523	7.0
97.07165	0.3
97.10154	1.0
99.04446	0.8
99.08070	1.7
105.04539	0.4
105.07020	4.5
107.04947	0.4
107.08590	19.9
109.02858	0.4
109.06519	1.4
109.10141	2.2
111.04498	0.3
111.08076	4.8
111.11706	0.6
113.05997	0.5
113.09650	0.7
117.07015	5.0
119.08556	1.5
121.06496	0.8
121.10140	13.8
122.10409	0.3
122.82549	0.2
123.08036	0.3
123.11713	1.6
125.09634	0.5
127.03909	0.8
127.07521	0.3
131.08556	5.7
133.10129	5.9
133.11133	0.4
135.08018	1.4
135.11684	5.6
139.07545	0.4
139.11203	1.1
144.09245	0.3
145.04953	1.0
147.11644	1.0
149.09660	0.7
149.13251	21.7
151.11169	0.5
157.10133	0.7
159.10371	0.5
159.11693	9.9
161.51318	0.3
163.06024	1.0
165.12758	0.3
167.14255	0.5
173.73839	0.3
177.12752	4.2
189.70320	0.3
195.13809	6.8
213.14728	1.2
251.16412	0.8
269.17465	44.3
270.17792	0.7
317.02811	0.3
445.29306	0.5
463.30533	100.0
464.30978	3.0
594.97784	0.3
607.34644	1.2
767.96460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	1.0
57.03437	18.6
57.07065	2.0
59.04990	1.1
61.02924	73.7
65.03928	1.8
67.05502	31.6
69.03427	26.4
69.07069	6.1
69.46842	6.2
70.06596	1.2
71.01354	4.2
71.04989	4.3
73.02531	1.4
73.02914	21.5
75.04477	1.3
79.05494	21.1
81.03416	22.4
81.07053	28.6
83.01325	1.3
83.04972	4.5
83.08632	4.1
85.02903	100.0
85.06559	1.3
86.03200	0.8
87.04465	3.3
88.07617	1.8
91.03952	53.7
91.05469	14.3
93.07043	23.5
95.04970	5.6
95.08605	23.1
97.02892	69.5
97.06554	2.4
97.10197	1.5
98.20672	1.2
99.04446	11.7
101.02369	5.0
103.03951	9.8
105.07027	11.7
107.04974	0.8
107.08584	11.6
109.02863	10.9
109.06525	2.2
109.10155	9.5
111.04414	4.0
111.08098	0.8
113.06036	1.0
115.03918	6.6
117.05513	2.4
117.07008	4.5
119.08569	9.1
121.06456	0.8
121.10140	12.0
123.04454	1.3
123.08061	0.9
123.11731	4.5
124.06754	0.7
125.09631	0.9
126.13871	0.7
127.03911	30.6
129.05496	4.5
129.07010	2.0
131.08565	8.0
133.06438	0.8
133.10117	8.0
135.11685	7.8
137.05989	1.1
137.09579	1.5
137.13258	1.6
139.03938	1.4
143.08580	2.0
145.04955	31.8
145.10141	6.5
147.04424	1.0
147.08051	1.4
147.11685	5.2
149.02333	4.0
149.13240	5.7
155.07152	0.9
155.08527	1.8
157.10143	1.9
159.06552	2.0
159.11737	5.9
161.13240	4.2
163.06027	15.4
163.11166	1.4
163.14880	3.7
167.08531	0.8
169.04927	0.7
169.10114	1.5
171.06578	1.8
171.11714	1.7
173.09659	0.8
173.11969	1.0
173.13210	4.4
175.14876	2.4
179.14401	0.8
181.10161	0.7
183.06541	9.1
183.11717	1.1
185.13245	1.9
187.11186	0.9
187.14845	1.9
189.12785	0.9
193.05002	2.8
197.13237	1.3
199.14850	1.4
201.07571	4.9
201.16502	1.0
211.14867	0.8
217.81265	0.8
219.08626	1.2
228.23297	3.1
241.19609	0.9
243.21013	5.4
259.20697	2.3
261.22162	14.4
271.20474	1.0
273.22348	0.8
277.21692	1.7
279.23175	1.2
285.22159	1.4
303.23306	2.1
309.22244	1.2
315.23468	1.6
317.24847	1.3
323.23648	1.2
327.23398	2.4
331.23068	0.8
333.24393	1.5
335.25793	48.6
336.26193	1.4
341.24799	1.9
345.24240	1.3
351.23312	1.4
353.26886	1.1
363.25400	3.3
369.24161	3.3
377.26971	3.0
387.25385	1.9
400.47168	0.8
405.26321	1.9
419.27863	1.7
443.27835	4.1
461.29013	4.0
479.29941	7.3
497.31143	3.3
822.36877	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	818.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	6.0
67.05502	30.4
69.07053	8.5
69.39602	12.6
69.40026	25.6
76.65728	3.3
79.05489	18.2
81.07057	31.9
91.05479	11.5
93.07043	20.5
95.08599	22.5
105.06996	5.6
107.08563	9.4
109.10175	10.4
119.08576	10.0
121.10128	9.7
123.11687	4.8
131.08595	5.1
133.10133	8.4
134.95712	3.2
135.11693	7.0
137.09520	3.2
138.35501	3.1
138.98814	3.2
142.53842	3.3
145.10083	4.6
147.11638	3.8
149.13275	5.3
161.13297	5.2
163.07492	4.2
163.14780	8.9
182.53500	3.7
187.14941	3.6
203.70386	3.7
241.19620	6.7
243.20958	5.0
251.20139	4.0
259.20557	8.3
261.22043	22.8
269.05548	3.5
333.24139	5.0
335.25732	100.0
336.25787	4.2
337.27393	10.1
340.26822	3.4
521.43372	7.1
543.05389	4.2
595.47046	16.0
613.47998	10.6
694.12366	3.6
751.51111	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	818.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.5
61.02910	2.4
61.95314	0.7
67.05503	14.8
69.03413	2.8
69.07068	4.9
70.09525	4.4
71.04990	1.1
73.02898	1.4
79.05488	13.7
81.03389	3.2
81.07057	12.0
83.04966	2.3
83.08619	7.3
84.34274	0.7
85.02886	3.5
91.03934	2.9
91.04931	1.3
91.05470	14.0
93.07035	8.2
95.04948	2.6
95.08596	4.6
97.02891	2.1
97.06525	1.1
97.10162	17.6
103.05471	6.7
105.07013	11.1
107.04945	2.3
107.07903	1.4
107.08585	9.3
109.06509	1.2
109.10129	2.8
111.08062	1.1
115.05410	2.7
117.07011	18.8
119.08568	5.0
121.10131	1.8
123.04384	0.8
125.09624	18.4
127.03945	1.1
128.06197	1.4
129.06992	7.8
131.04926	0.8
131.08566	13.9
133.06490	4.2
133.10100	2.6
135.08041	3.5
137.06021	0.7
137.09520	0.8
141.07019	3.7
143.08559	5.1
145.04968	1.0
145.06448	5.7
145.10101	4.2
147.08034	1.9
149.09576	2.1
153.06958	1.1
153.09071	2.5
155.08539	6.2
157.06444	1.7
157.10143	2.9
159.08031	2.3
159.11635	2.3
163.06053	1.0
167.08578	1.6
169.10115	3.5
171.08076	1.9
171.10248	1.2
171.11656	3.0
173.13254	0.9
175.11244	1.1
181.10124	1.6
183.08040	0.9
183.11659	1.3
185.13243	1.9
187.11285	0.9
187.14772	5.1
189.11203	7.2
189.12711	1.5
193.10205	1.5
195.11717	2.6
197.13245	6.4
199.11151	1.5
213.12675	2.0
215.12187	1.6
215.14282	25.4
221.13171	1.1
225.12651	1.0
227.12750	16.4
233.15425	2.0
245.13812	1.5
255.13692	1.2
271.17001	1.5
339.23215	1.4
349.21631	4.6
367.22821	8.4
385.23663	6.3
403.24640	2.4
423.25400	1.0
441.26334	47.5
442.26761	2.6
459.27393	100.0
460.27643	3.9
477.28589	10.6
498.22922	1.0
768.38788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.49
Annotation	Glabrin C
Peak:m/z	Relative Intensity
70.91986	14.2
70.92324	20.6
75.77847	9.8
76.46043	8.5
76.98129	9.8
98.86812	9.1
111.16971	9.7
120.51427	10.9
212.42459	9.7
255.43056	9.8
279.99582	10.6
286.70660	9.6
427.18402	11.8
698.50958	12.1
813.49536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06611	0.5
59.07383	0.2
60.07857	0.4
60.08160	7.2
67.05496	0.4
70.05520	0.5
70.05924	0.7
70.06606	0.2
71.07367	4.6
81.07053	0.4
86.09695	36.9
93.06998	0.2
95.73773	0.2
98.20742	0.2
98.98451	4.4
103.15947	0.2
104.10732	2.9
115.99751	0.2
124.99989	26.3
143.00996	0.4
184.07321	100.0
184.75868	0.2
185.07726	0.7
289.28302	0.2
714.46246	1.0
796.54462	0.4
814.55945	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
58.36404	1.2
60.14994	1.1
61.02918	6.5
67.01853	3.9
68.99781	5.6
69.03425	2.0
70.09543	2.1
70.09963	4.6
81.03386	1.5
85.02910	2.5
91.03934	2.7
93.90939	1.4
97.02881	3.7
111.00787	2.4
119.04906	1.3
121.02863	2.0
127.03922	2.4
137.02336	2.8
139.03883	1.3
152.64624	1.1
153.01819	100.0
163.03894	15.6
165.01924	1.6
179.03419	5.5
183.02962	1.8
185.02339	2.0
191.03374	35.5
192.04037	2.6
193.01393	1.4
193.04857	1.4
195.02878	3.2
202.02542	1.6
203.03366	7.3
207.02936	3.2
215.03331	2.5
219.00861	2.0
219.02870	18.9
220.03662	6.8
221.04382	9.8
229.04988	1.9
230.02101	1.5
231.02884	35.7
232.03690	2.9
233.04367	1.7
237.05562	1.3
239.03450	1.6
243.02911	1.8
245.04401	2.1
247.02374	20.7
248.03003	3.0
253.04857	2.5
255.02974	3.6
257.04358	2.5
259.02350	5.1
261.03897	1.7
267.02969	1.4
271.02466	3.8
273.03961	1.5
273.99219	1.4
277.04733	1.7
283.02377	3.9
285.03995	2.9
287.01849	2.5
293.04471	2.6
294.03738	2.0
295.02728	1.4
295.06006	3.6
297.03830	1.6
301.03445	3.7
305.04572	2.8
309.03903	3.3
313.03458	8.2
315.01303	1.5
321.03909	3.5
323.05579	3.0
329.02899	31.9
329.06802	1.6
330.03717	2.3
333.03909	3.0
337.03430	4.5
338.04276	1.9
339.04926	1.8
341.03033	1.5
343.04623	1.5
349.03445	3.6
351.04898	5.9
353.02875	2.9
359.03970	9.3
361.03448	2.8
363.04947	2.5
365.02899	10.5
366.03519	2.8
367.04114	1.8
369.02460	3.0
377.03085	6.0
379.00244	1.7
379.04504	7.7
383.03796	1.6
385.01974	2.4
390.03452	1.8
391.04434	2.6
393.02380	7.5
394.03192	12.0
395.04153	3.1
405.02377	4.4
407.03787	6.9
417.02118	1.9
421.01685	2.7
425.05106	2.4
433.01797	3.8
435.03506	3.8
442.21640	1.4
447.03369	3.7
453.04483	1.9
461.01474	2.7
463.02954	1.8
469.04926	1.7
485.05023	2.9
486.36414	1.5
513.04523	5.7
541.04059	5.7
543.04956	1.8
556.92560	1.4
559.05347	2.9
569.03406	3.3
571.04999	11.1
587.04541	48.2
588.05084	1.6
589.05847	6.9
597.02814	4.6
605.05597	6.5
607.07068	8.5
615.04004	87.0
616.04291	5.5
633.05066	97.3
634.05255	5.1
651.06085	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	811.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.8
59.04999	0.7
60.08149	0.6
61.02926	4.9
65.03937	0.6
65.96535	0.5
67.05498	6.7
69.03428	4.7
69.07061	1.8
71.04977	2.4
73.02921	3.2
79.05491	6.2
81.03407	6.7
81.07051	7.5
83.04980	1.7
83.08614	1.9
85.02911	6.7
85.06567	0.7
86.09712	2.0
87.04458	1.1
89.71047	0.6
91.03955	3.1
91.05472	6.9
93.07033	5.5
95.04961	2.7
95.08605	2.4
97.02885	4.6
97.06526	1.8
97.10150	0.8
98.21558	1.1
99.04474	1.0
101.02374	2.0
101.03000	0.6
105.07037	4.6
107.04930	0.7
107.08567	3.2
109.02901	1.2
109.06517	0.9
109.10170	0.9
111.08096	0.7
117.07047	1.2
119.08564	3.0
121.06548	0.7
121.10147	2.3
125.00005	1.2
127.03918	1.4
129.07043	1.6
131.08598	2.3
133.10135	3.2
135.11682	1.6
139.11266	0.5
145.10150	1.0
147.11679	2.4
149.09627	2.7
155.25800	0.5
157.10144	1.3
161.13229	0.5
175.11221	1.0
184.07310	6.2
193.12280	1.5
198.13281	0.6
203.05272	0.7
225.14923	1.2
243.08420	4.5
265.05313	1.0
267.06924	0.6
267.16025	0.8
283.06384	2.3
283.15176	4.0
333.20285	2.5
339.17859	0.9
368.19901	0.6
439.19403	1.6
453.21066	1.5
469.20203	1.3
501.23010	14.3
502.23547	0.8
551.28186	8.3
649.39301	0.7
713.36530	0.6
811.44409	100.0
812.44891	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	812.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.5
60.08158	6.1
69.86694	0.7
69.87112	1.5
70.79601	0.3
71.07365	3.3
86.09697	31.7
98.98473	3.3
104.10738	3.0
124.99992	21.4
143.01044	0.5
148.20023	0.4
158.72786	0.3
184.07327	100.0
185.07616	0.5
262.18842	0.3
462.32059	0.4
812.54041	2.5
813.55042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.8
59.04987	1.2
61.02919	6.0
65.03930	0.6
67.05502	5.9
69.03422	3.4
69.07059	2.5
69.37582	4.3
71.01361	0.5
71.04977	2.2
73.02924	3.6
79.05482	5.8
81.03410	5.3
81.07046	7.6
83.04984	1.4
83.08627	1.1
85.02893	5.6
85.06528	0.5
87.04479	0.9
91.03951	3.1
91.05476	5.6
93.07042	6.1
95.04959	2.4
95.08604	3.1
96.08902	0.4
97.02883	5.0
97.06541	1.8
99.04462	1.0
101.02363	2.2
103.03925	0.4
105.07016	3.6
107.04955	0.6
107.08578	3.1
109.02900	1.4
109.06503	0.9
109.10153	1.3
111.08101	0.6
115.03961	0.5
117.07060	0.7
119.08566	2.5
121.06498	0.6
121.10114	2.0
123.08069	0.7
123.11646	0.9
127.03928	1.5
129.05527	0.5
129.07001	1.1
131.08565	2.5
133.10112	2.6
135.11722	0.8
137.09656	0.6
145.10153	0.6
147.08075	0.6
147.11711	2.0
149.09627	2.5
157.10147	1.5
165.45091	0.4
175.11237	1.3
181.12247	0.5
184.07376	0.4
185.04329	0.4
193.12306	1.7
195.13898	0.4
203.05257	0.9
243.08359	4.1
267.15909	0.8
283.15091	3.7
333.20456	1.9
339.17938	1.3
359.55515	0.4
389.22791	0.5
439.19601	1.9
453.20984	1.8
469.20367	1.4
470.47006	0.4
501.23050	16.5
502.23334	0.7
551.28247	6.7
713.37067	1.7
725.32397	0.7
811.44427	100.0
812.44641	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	808.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37654	1.8
57.03436	23.4
57.07050	3.0
59.04990	2.7
61.02911	4.2
65.03951	4.7
67.05501	100.0
69.03421	12.0
69.07061	42.3
71.04972	7.7
71.70262	2.5
71.74863	1.9
73.02894	4.7
79.05487	57.9
81.02966	3.5
81.03416	58.3
81.07052	75.9
83.04973	21.0
83.08612	26.8
85.02901	26.1
85.06541	4.6
86.89738	1.8
91.05475	71.2
93.07042	53.2
95.04955	33.1
95.08598	44.8
97.02876	6.3
97.06510	18.9
97.10147	8.3
99.04453	3.3
99.08072	3.7
103.05476	2.4
105.07023	42.4
107.04925	15.3
107.08586	30.0
109.02871	2.3
109.06492	8.3
109.10151	43.5
111.04404	2.2
111.08082	14.3
115.05443	3.0
116.03742	1.9
116.04682	2.6
117.06998	12.3
119.08572	38.3
121.06506	5.2
121.10149	19.1
123.08058	6.9
123.11669	2.5
125.09628	11.6
127.03984	2.5
129.05437	8.1
129.06987	15.1
131.08539	28.3
133.06485	3.6
133.10126	24.6
135.08047	4.3
135.11694	9.4
137.09619	13.9
142.07780	3.7
143.08597	4.8
145.06519	2.1
145.10092	11.1
147.04393	2.8
147.08044	4.3
147.11668	21.1
149.09616	20.9
149.13223	6.4
155.08527	3.5
155.10664	3.5
157.08778	3.3
157.10103	17.3
159.11661	7.9
161.09616	4.4
161.13275	4.2
163.11182	6.6
165.12741	3.4
169.10120	2.5
171.10205	3.0
171.11664	3.7
173.11719	12.2
173.13194	4.4
175.11182	13.9
175.14954	2.0
177.12714	4.2
179.14297	2.3
183.11659	3.9
184.07346	7.2
185.13136	2.3
189.11249	4.6
193.12250	46.3
193.49332	2.1
199.13263	4.9
211.13269	48.5
225.12152	2.0
227.12834	5.7
229.14352	20.8
235.20724	2.1
247.20627	2.3
257.18906	2.8
267.15878	24.9
269.17487	11.9
273.18451	3.1
275.20056	25.9
285.16956	38.2
291.19446	4.4
293.21127	3.9
301.16464	15.7
313.55103	2.3
322.37646	1.9
349.23734	26.5
367.24680	4.0
373.18533	2.9
377.53531	2.0
383.24518	3.4
421.25903	10.1
423.27560	3.2
439.26865	27.7
449.29123	7.1
455.26700	4.8
461.29034	6.0
463.30515	4.2
477.28574	2.7
479.29953	15.2
495.29358	6.7
497.05261	2.0
541.35583	10.6
559.36212	25.3
575.35620	9.4
577.37250	5.1
593.36420	5.6
653.44849	2.2
788.28387	2.3
817.42932	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	806.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	7.1
57.76698	2.0
58.85292	2.0
59.93923	1.7
65.03924	3.9
67.05504	38.6
67.15034	1.7
69.07066	14.4
71.04964	2.0
71.73377	3.1
79.05485	28.2
81.03414	3.3
81.07059	34.8
83.04967	2.9
83.08596	6.5
87.35284	1.9
91.05477	33.7
93.07035	29.8
95.04979	4.3
95.08609	27.4
96.31514	2.2
97.06523	8.2
103.93790	1.8
105.07021	31.7
107.04952	3.4
107.08597	15.2
109.10129	8.4
111.08061	2.2
117.07018	9.2
119.08577	16.8
121.10153	10.3
121.28633	2.3
126.01012	2.0
128.07661	1.9
131.08557	17.1
133.10129	18.9
135.11629	7.1
145.10106	9.7
147.11684	3.4
149.09630	2.6
159.11664	6.3
161.13205	2.8
173.13269	2.9
179.14275	3.8
184.07291	2.9
219.17441	44.8
241.55038	2.0
257.18896	2.7
267.15796	3.0
275.20035	29.4
300.42688	2.3
311.48376	2.0
335.25775	65.0
349.23917	17.1
452.46634	2.7
609.45142	100.0
610.45422	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	806.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	16.4
57.07053	1.5
61.02921	2.5
64.88972	1.1
65.03922	2.8
67.05499	53.5
69.03413	6.3
69.07061	20.9
70.20518	4.3
70.20885	2.1
71.04975	6.5
73.33903	1.3
79.05030	2.2
79.05484	43.6
81.03411	80.9
81.07049	62.5
83.04964	10.5
83.08615	23.0
85.02889	3.5
85.06518	3.2
88.76834	1.2
91.05473	47.3
91.06048	2.3
93.06438	2.4
93.07035	46.1
94.07330	1.3
95.04965	32.1
95.08597	23.6
97.02861	3.7
97.06530	11.4
97.10149	7.7
99.04446	2.2
99.08073	2.8
103.05446	1.8
103.75797	1.2
105.06348	2.0
105.07022	32.8
107.04955	10.6
107.08581	30.4
108.09042	1.2
109.06506	6.1
109.10130	10.8
111.04393	2.2
111.08067	10.5
113.09584	1.2
115.05470	2.2
117.07022	11.5
119.04940	1.4
119.08575	27.6
121.06487	7.9
121.10127	17.5
123.04413	1.7
123.08064	5.4
123.11700	3.4
125.09660	6.2
128.06200	1.6
129.06989	12.2
129.25668	1.1
131.08556	21.4
133.06494	4.8
133.10106	17.8
135.08028	5.2
135.11688	10.1
137.05922	1.6
137.09596	4.9
141.06958	2.3
142.07782	2.7
143.08534	5.3
145.06491	2.6
145.10107	12.8
147.08025	6.5
147.11679	14.1
149.09579	10.2
149.13251	9.7
151.11150	3.4
153.09174	1.3
155.08549	3.9
157.10114	13.1
159.07988	1.9
159.11699	11.4
161.09610	3.1
161.13211	2.8
163.11168	4.7
165.12735	1.9
169.10069	2.9
171.08105	1.3
171.11623	2.4
173.09651	2.4
173.13264	2.7
173.69885	1.2
175.11162	10.1
177.12663	2.7
179.14331	1.4
183.11632	2.1
185.13242	2.1
187.11139	2.3
189.11171	2.3
193.12244	18.1
195.11884	1.9
195.13757	2.8
197.13194	1.4
211.13293	3.8
227.12781	5.8
233.15392	1.2
249.14919	2.2
253.14209	1.3
255.15955	8.4
257.19122	3.1
267.15887	65.2
268.16284	1.4
269.17444	29.9
275.20059	11.9
301.14200	2.0
303.15811	1.3
349.23721	10.8
351.23126	2.9
363.21738	1.2
367.24707	3.7
369.24249	4.5
387.25403	3.1
421.25873	2.5
425.27206	1.5
435.27524	2.2
443.27835	9.4
446.29807	1.6
447.27338	18.6
449.30084	1.8
461.28967	100.0
462.29196	2.0
467.31439	1.6
479.29831	1.3
493.31665	10.1
541.35217	25.0
559.36353	9.9
605.32379	1.2
782.66846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	23.6
57.07067	2.2
59.04984	5.2
61.02911	3.9
65.03922	4.8
67.05499	100.0
68.03052	1.4
69.03420	10.4
69.07063	20.0
69.45585	6.8
69.46014	6.3
71.01344	2.2
71.04982	11.2
73.02888	3.0
77.03871	1.2
79.05032	3.1
79.05486	55.3
81.03409	75.4
81.07050	58.5
82.83735	1.2
83.04972	28.3
83.08611	38.1
85.02390	3.0
85.02894	36.8
85.06517	4.6
86.09680	1.5
87.04461	4.6
91.03938	1.6
91.05470	51.3
93.07034	36.0
95.04960	35.6
95.08595	26.2
97.02854	8.7
97.06530	9.6
97.10159	15.6
99.08102	3.2
101.05988	1.4
103.03960	1.8
105.07026	32.6
107.04934	12.4
107.08577	24.3
109.06507	9.1
109.10148	61.7
111.04439	4.9
111.08077	15.1
113.05999	4.7
115.05437	2.0
117.07011	7.8
119.07750	2.2
119.08571	32.7
121.06489	3.3
121.10111	13.2
123.08056	5.6
123.11683	3.2
125.09631	14.1
128.06250	1.3
129.05489	4.8
129.06992	13.8
131.08549	17.2
133.06459	4.8
133.10110	21.2
133.81548	1.3
135.08008	2.2
135.11664	6.0
137.09579	6.1
142.07738	3.2
145.10085	7.1
147.08020	5.2
147.11668	22.0
148.70099	1.5
149.09651	8.9
149.13220	2.0
151.11171	3.0
153.12717	3.1
155.10655	2.2
157.08809	2.4
157.10106	17.6
159.11717	1.6
163.11136	9.8
165.12744	4.1
173.11737	19.8
173.13147	2.4
175.11163	20.6
181.12238	4.1
185.13338	1.4
191.10603	1.9
193.12225	64.9
199.13283	7.2
209.11749	4.6
211.13277	82.2
227.12769	7.1
227.14868	1.2
229.14342	45.9
255.15816	1.3
267.15869	25.6
269.17328	6.6
275.20245	1.8
283.15421	4.8
285.16928	59.3
285.20105	3.2
291.19498	1.6
301.16409	8.5
399.23727	13.8
409.25833	4.1
421.25909	10.0
423.27310	5.7
427.26813	2.4
439.26913	39.3
461.28708	1.4
463.30911	2.1
493.27777	2.4
511.28918	7.5
529.30121	1.9
558.52850	1.3
591.34741	1.6
609.27216	2.5
609.36328	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	16.7
57.07070	2.3
59.05007	2.0
61.02933	1.6
63.56858	1.5
65.03925	2.1
67.05151	3.7
67.05501	72.7
69.03420	10.5
69.07065	18.3
69.62841	14.5
71.01334	1.9
71.04998	9.8
79.05486	50.6
81.03410	92.2
81.07053	76.1
82.78169	1.4
83.04978	18.4
83.08615	22.5
85.02895	2.5
85.06528	6.5
91.05473	75.7
92.37608	1.7
93.07034	47.4
95.04966	40.6
95.08601	26.0
97.02883	4.2
97.06506	11.3
97.10161	7.6
99.04472	3.1
99.08070	2.2
103.05463	2.1
105.04530	2.1
105.07019	61.5
107.04950	17.6
107.08586	45.2
107.09129	1.1
109.06507	12.6
109.10153	60.8
109.10896	4.0
111.04430	4.5
111.08067	12.4
113.06011	3.3
115.05437	2.9
117.07017	10.9
119.05026	2.3
119.08561	24.0
121.06469	11.1
121.10126	14.3
123.04424	2.5
123.08062	7.2
123.11696	10.8
125.09591	4.4
128.06226	3.0
129.06982	14.6
131.08548	25.3
133.06461	8.7
133.10123	75.3
134.10500	1.8
135.08093	8.8
135.11696	8.6
137.09618	5.3
142.07811	5.5
143.08580	6.5
145.06479	2.6
145.10081	8.7
147.08014	5.8
147.11665	12.6
149.09621	14.2
149.13257	2.3
151.11182	35.5
151.12273	1.2
155.08510	2.6
157.10121	14.5
159.08025	2.2
159.11639	4.7
161.09590	10.1
161.13196	2.3
163.11168	4.3
169.10051	2.2
169.12213	4.0
171.11682	3.2
173.09578	2.9
173.13205	2.5
175.11179	12.1
177.12738	3.2
179.10672	5.1
185.13239	2.1
189.12767	2.3
193.12225	31.1
215.12666	2.5
217.15683	1.6
227.12753	2.8
227.17833	2.5
229.14465	3.1
245.19038	5.2
249.14830	2.1
253.14334	100.0
254.14803	1.9
259.20538	2.5
263.20056	3.0
267.15897	90.5
273.18463	19.8
275.53552	1.7
283.15286	2.2
287.20081	11.8
291.19516	25.3
309.20676	2.9
343.22546	4.0
347.22177	8.6
365.23236	38.7
371.22107	2.0
389.23111	2.9
421.25705	3.4
445.25745	22.5
447.28745	2.6
461.25339	2.5
463.26923	37.8
465.29883	4.7
483.30789	3.2
521.32983	2.0
539.33710	21.6
543.36890	2.5
557.34686	94.1
558.34930	6.1
575.35455	5.3
670.49011	2.0
737.12616	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	9.1
57.07057	0.8
58.28584	0.7
59.04987	1.6
65.03927	1.9
67.05495	31.5
69.03419	7.3
69.07063	21.9
69.78369	3.8
69.78785	1.4
71.04980	3.9
77.03894	0.9
79.05486	29.5
81.03410	63.4
81.07049	28.7
83.04967	7.0
83.08604	18.6
85.02895	2.7
85.06544	2.0
91.05474	26.8
91.06044	1.2
93.07040	20.6
95.04959	23.2
95.08594	12.5
97.02885	10.5
97.06521	4.7
97.10153	13.7
103.05454	1.2
105.07024	21.1
105.07732	1.2
107.04951	11.5
107.08585	14.4
109.06512	5.8
109.10136	12.3
111.04430	2.3
111.08066	4.8
113.06011	0.8
115.05402	1.9
117.06983	7.3
119.04935	1.8
119.08565	16.7
121.06494	4.7
121.10127	7.9
123.04408	1.1
123.07281	1.0
123.08043	4.7
123.11678	1.8
125.05981	1.0
125.09624	7.8
127.74164	0.8
128.06264	1.2
129.06978	9.7
131.08553	13.4
133.06490	4.4
133.10109	13.8
135.08015	4.5
135.11665	3.5
137.09639	4.3
141.07004	1.1
142.07716	3.6
143.08562	4.4
145.06461	1.6
145.10106	7.1
147.08057	7.6
147.11661	7.7
149.09595	6.4
149.13249	1.5
151.11208	2.8
153.09053	1.0
155.08530	1.0
157.10098	9.0
159.11667	2.9
161.09587	2.0
161.13249	1.0
163.11182	3.3
165.09157	0.9
165.12729	1.7
171.11600	1.1
173.09607	1.5
173.11810	0.9
175.11160	7.8
177.12723	1.9
183.11765	0.9
185.09625	0.9
185.13266	1.2
187.11107	0.9
189.11185	4.7
189.12669	1.1
191.10654	1.1
193.12248	14.5
195.13788	0.9
199.11153	1.3
205.12207	1.7
211.13312	1.2
219.13718	4.0
223.13295	17.7
227.12729	8.3
245.18965	1.8
249.14841	3.4
253.14304	7.5
267.15900	75.9
268.16138	2.1
269.17270	1.4
273.15054	1.4
273.18423	9.6
275.19870	1.1
283.15332	0.9
291.19513	72.0
292.19730	2.5
313.21573	2.5
321.05026	1.0
347.22202	2.4
365.23203	45.9
366.23605	1.8
367.22910	1.1
385.23679	1.4
419.24234	1.1
445.25525	5.5
459.27426	6.1
463.26895	2.5
465.29987	1.3
477.28433	4.2
483.31052	1.0
539.33600	7.8
557.34686	100.0
558.34875	5.7
575.35254	2.3
589.36603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.6
57.07052	1.0
61.02924	4.4
62.91282	0.9
63.06489	0.8
65.03919	0.9
67.05499	19.2
69.03422	2.1
69.07059	7.5
69.49599	3.3
69.50026	4.2
71.04984	2.3
73.02918	1.4
73.88493	0.7
79.05487	15.4
79.19257	0.9
80.05795	0.8
81.03417	7.5
81.07051	23.4
83.04970	2.4
83.08624	5.8
85.02881	5.3
85.06551	1.7
91.03960	2.4
91.05475	20.5
93.07039	16.9
95.04975	5.9
95.08598	13.6
97.02886	4.2
97.06507	3.3
97.10152	3.7
103.05455	1.0
105.07023	19.3
107.04955	2.5
107.08591	9.1
109.06509	3.0
109.10137	7.6
111.04442	0.9
111.08097	1.9
117.07004	10.1
119.08577	12.4
121.06491	2.7
121.10126	5.6
123.08074	1.9
123.11658	1.1
124.48452	0.9
125.09586	1.2
127.03908	1.1
128.06244	1.0
129.07004	9.5
131.08545	15.6
133.06458	2.3
133.10110	9.3
135.08064	2.7
135.11682	3.6
137.09601	0.9
141.06963	2.5
142.07756	0.9
143.08551	6.2
145.04904	1.3
145.10112	9.5
147.08025	2.7
147.11702	4.5
149.09618	2.5
149.13182	1.3
151.11182	1.7
154.07860	1.0
155.08557	4.0
157.10109	5.6
159.08101	1.8
159.11734	4.1
161.13210	1.4
163.06087	0.9
163.11189	2.5
167.08585	1.1
169.10132	3.7
171.11688	4.4
173.13245	2.1
175.11130	1.1
175.14848	0.9
177.12796	1.0
181.10141	2.6
183.11731	2.6
185.13217	2.4
187.11160	0.9
187.14763	1.4
189.09474	1.0
193.12236	1.9
195.11633	2.3
197.13182	2.0
199.14816	1.7
209.13295	1.3
213.12791	0.8
215.14270	1.0
223.14859	0.9
229.14256	1.9
233.15344	1.0
247.16933	1.1
255.31706	0.7
261.18582	1.0
267.15884	5.0
269.17575	1.0
273.18332	1.1
275.20065	3.3
276.20563	1.0
289.18066	1.4
291.19452	3.2
333.24619	1.0
335.23776	1.4
343.26453	1.1
349.23730	1.0
353.24716	5.2
365.23163	1.1
371.25690	4.6
389.26886	5.1
392.74213	0.7
427.28384	1.1
445.29495	100.0
446.29752	5.4
463.30603	19.9
514.01709	0.9
543.36530	1.2
557.34473	3.1
741.04620	0.9
813.77100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.6
57.07052	1.0
61.02924	4.4
62.91282	0.9
63.06489	0.8
65.03919	0.9
67.05499	19.2
69.03422	2.1
69.07059	7.5
69.49599	3.3
69.50026	4.2
71.04984	2.3
73.02918	1.4
73.88493	0.7
79.05487	15.4
79.19257	0.9
80.05795	0.8
81.03417	7.5
81.07051	23.4
83.04970	2.4
83.08624	5.8
85.02881	5.3
85.06551	1.7
91.03960	2.4
91.05475	20.5
93.07039	16.9
95.04975	5.9
95.08598	13.6
97.02886	4.2
97.06507	3.3
97.10152	3.7
103.05455	1.0
105.07023	19.3
107.04955	2.5
107.08591	9.1
109.06509	3.0
109.10137	7.6
111.04442	0.9
111.08097	1.9
117.07004	10.1
119.08577	12.4
121.06491	2.7
121.10126	5.6
123.08074	1.9
123.11658	1.1
124.48452	0.9
125.09586	1.2
127.03908	1.1
128.06244	1.0
129.07004	9.5
131.08545	15.6
133.06458	2.3
133.10110	9.3
135.08064	2.7
135.11682	3.6
137.09601	0.9
141.06963	2.5
142.07756	0.9
143.08551	6.2
145.04904	1.3
145.10112	9.5
147.08025	2.7
147.11702	4.5
149.09618	2.5
149.13182	1.3
151.11182	1.7
154.07860	1.0
155.08557	4.0
157.10109	5.6
159.08101	1.8
159.11734	4.1
161.13210	1.4
163.06087	0.9
163.11189	2.5
167.08585	1.1
169.10132	3.7
171.11688	4.4
173.13245	2.1
175.11130	1.1
175.14848	0.9
177.12796	1.0
181.10141	2.6
183.11731	2.6
185.13217	2.4
187.11160	0.9
187.14763	1.4
189.09474	1.0
193.12236	1.9
195.11633	2.3
197.13182	2.0
199.14816	1.7
209.13295	1.3
213.12791	0.8
215.14270	1.0
223.14859	0.9
229.14256	1.9
233.15344	1.0
247.16933	1.1
255.31706	0.7
261.18582	1.0
267.15884	5.0
269.17575	1.0
273.18332	1.1
275.20065	3.3
276.20563	1.0
289.18066	1.4
291.19452	3.2
333.24619	1.0
335.23776	1.4
343.26453	1.1
349.23730	1.0
353.24716	5.2
365.23163	1.1
371.25690	4.6
389.26886	5.1
392.74213	0.7
427.28384	1.1
445.29495	100.0
446.29752	5.4
463.30603	19.9
514.01709	0.9
543.36530	1.2
557.34473	3.1
741.04620	0.9
813.77100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	10.5
57.06810	2.6
57.07072	32.7
67.05495	29.5
69.03407	4.6
69.07056	18.1
71.04994	3.7
71.08627	26.6
79.05482	18.8
81.03393	7.5
81.07051	46.5
83.04963	6.0
83.08608	15.1
85.02877	6.1
85.06520	3.6
85.10170	14.2
91.05479	21.2
91.25299	2.5
93.07038	26.7
95.04967	4.8
95.08592	30.1
97.06512	8.6
97.10151	7.6
105.07038	13.3
107.08606	14.6
109.06472	3.0
109.10146	13.4
112.31897	2.4
113.82314	2.6
117.07017	7.0
119.08547	9.1
121.06511	3.6
121.10120	10.5
123.08064	3.7
123.11681	5.7
127.03866	3.7
130.71999	2.5
131.04845	3.2
131.08542	11.9
133.10110	11.2
135.11674	5.7
145.10081	5.9
147.11626	5.1
149.04034	2.5
149.09630	8.2
149.13243	8.8
151.40163	2.5
153.41307	2.4
159.11646	6.5
163.11136	3.9
173.13197	6.1
177.12682	4.0
195.06520	4.7
195.13805	4.2
196.06894	6.1
201.87141	2.5
211.05998	11.4
212.06288	7.3
224.20482	2.6
227.12688	2.9
239.23560	5.5
255.15887	11.1
257.18942	6.9
267.15909	4.0
269.17487	33.0
275.20032	23.8
297.11221	5.0
298.11459	8.3
299.12335	5.7
301.13190	2.6
313.27338	100.0
349.23694	24.5
367.24991	5.9
424.18954	2.7
491.09454	3.4
493.38904	20.5
502.30515	2.8
504.31119	3.5
507.40436	96.0
507.47867	5.7
508.40790	6.3
519.85864	3.3
547.43781	5.0
587.46533	24.8
591.20404	3.0
605.47455	6.6
813.25049	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	802.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	7.3
69.59182	1.1
71.69800	1.2
71.70215	1.5
79.01855	1.4
79.54980	1.2
81.03408	2.9
109.02858	6.7
111.00802	7.5
121.02814	2.8
123.04433	14.7
125.02352	1.7
127.03902	64.7
128.04175	2.0
131.04927	1.5
133.02823	3.4
135.04393	1.8
135.61552	1.3
138.05499	1.9
139.03889	100.0
143.03323	1.7
147.04402	7.0
149.02379	1.8
150.03093	5.0
151.03896	40.4
153.01825	23.6
153.02968	0.9
155.03389	3.9
159.04391	1.6
161.06023	2.3
162.03104	2.8
163.03891	13.7
164.04749	1.5
165.05453	2.0
166.04974	2.4
167.03397	2.8
171.04332	1.7
173.05946	1.7
175.03897	10.0
177.05397	3.8
178.02654	2.2
178.04958	5.0
179.03383	35.2
181.04947	4.6
185.05914	2.9
187.03796	2.1
189.05423	3.0
191.03398	6.5
193.04939	1.3
194.04492	1.1
199.03929	2.7
199.36575	1.1
201.05473	2.6
203.03404	12.4
205.04958	6.1
213.05521	5.0
215.03410	3.3
216.04045	1.3
217.04939	3.8
219.85393	1.2
223.02310	2.6
225.05560	2.0
227.03395	1.6
229.04936	5.4
231.06458	2.6
232.06480	1.3
233.04471	1.8
241.04900	3.8
241.36017	1.2
245.04416	8.9
249.04033	1.7
253.04930	2.8
257.04434	18.5
258.05118	2.4
259.05933	3.7
261.03906	3.5
263.05457	20.4
264.05844	1.7
269.04456	7.4
270.05060	1.8
271.05981	4.6
272.05472	1.4
273.04062	1.3
275.05505	8.4
277.07156	1.8
281.04358	4.1
284.05524	2.5
285.03894	1.9
286.04599	3.7
287.05472	40.7
288.06168	4.8
289.06992	6.9
296.05545	1.6
297.03851	2.7
298.04678	4.5
299.05490	12.5
302.06747	2.7
303.04916	3.4
304.05707	2.7
305.06528	10.9
310.07028	1.3
314.06610	2.0
316.08121	2.2
317.06479	12.2
326.06564	6.2
328.08142	6.2
338.06427	3.5
344.07654	5.1
356.07846	1.5
407.07443	6.1
419.07495	2.7
423.06958	3.8
424.07834	3.6
425.08643	13.3
435.07150	2.0
436.07654	2.2
446.08875	6.2
464.09644	14.6
467.09454	1.9
476.09457	1.8
482.11053	2.1
488.09787	1.9
533.85052	1.5
574.11255	2.1
576.09509	2.4
594.10254	2.0
616.10596	1.6
634.11841	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	801.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.8
61.02919	3.1
62.03906	1.2
65.03944	2.5
67.05500	27.5
69.03427	24.3
69.07076	6.5
70.31812	1.1
71.01352	1.6
71.04986	6.9
71.70322	1.8
73.02916	2.4
79.05489	27.3
81.03413	100.0
81.07052	32.4
83.04975	18.5
83.08612	18.4
85.02901	24.1
85.06530	2.3
86.33685	1.8
87.04425	1.6
91.03928	1.5
91.05477	32.3
93.07039	18.9
95.04964	27.0
95.08592	11.1
97.02880	22.7
97.06541	6.3
97.10150	7.0
99.04441	5.9
103.05447	2.2
103.71548	1.4
105.07015	27.6
107.04942	9.8
107.08580	10.3
109.02880	19.5
109.06517	5.7
109.10136	4.9
111.04434	11.7
111.08063	7.1
113.06005	1.3
115.05479	1.9
117.06994	5.3
118.22530	1.4
119.04915	1.9
119.08584	20.2
119.83887	1.2
121.06507	3.9
121.10139	11.6
122.10473	1.2
123.04432	2.4
123.08084	3.2
123.11723	2.4
125.09630	4.5
127.03908	20.5
128.06189	2.0
129.05453	3.8
129.06998	12.3
131.04881	1.6
131.08543	13.1
133.06497	4.7
133.10127	11.4
135.04398	1.9
135.08034	2.0
135.11662	2.7
137.05937	2.1
137.09543	1.8
139.03954	3.2
142.07741	3.3
143.08543	1.9
145.04950	2.2
145.06444	3.6
145.10094	4.2
147.07985	4.6
147.11688	22.5
149.09615	6.9
151.03886	2.2
153.12738	2.0
157.10100	15.1
163.03838	2.2
163.11168	4.5
165.12750	7.5
171.08073	1.4
173.04460	7.0
173.22881	1.3
175.11142	13.5
181.12218	2.0
189.05357	1.6
189.11194	3.0
189.12778	1.6
191.10558	1.8
193.12234	42.4
209.11732	1.7
211.11252	3.0
211.13283	58.9
227.12746	6.0
229.12280	1.3
229.14368	5.2
235.13431	1.9
249.14931	3.8
267.09045	1.9
267.15903	29.1
268.09552	1.5
273.14835	3.6
276.16010	1.5
283.15314	2.1
285.10101	5.4
285.16968	26.4
291.15909	1.7
301.14313	4.7
319.15414	4.1
324.11609	1.6
337.16400	5.5
355.17429	6.5
367.22525	2.2
375.17581	2.4
385.23630	3.6
393.18909	5.4
403.25241	1.5
411.20010	8.8
429.21295	9.1
431.28165	2.2
438.18268	3.6
438.68240	2.6
450.87186	1.5
459.27420	13.4
477.28497	18.8
495.29507	13.5
499.21545	1.9
519.29797	2.5
585.30682	3.9
603.31262	4.8
621.32556	15.2
639.33582	18.6
783.37103	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	801.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	11.7
62.11172	7.0
69.52797	6.8
70.79786	21.6
98.97591	9.0
103.90176	7.1
104.46725	7.0
127.03919	21.8
129.64404	7.1
139.03926	19.2
151.03877	10.4
153.01826	28.1
157.35333	8.5
179.03412	14.3
225.44800	7.7
245.04451	10.0
267.00653	8.9
287.05515	26.3
299.05563	14.4
343.01688	9.7
356.07605	7.4
442.81863	7.6
729.04700	8.8
801.10693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69125	0.4
65.03938	0.6
67.05495	2.3
68.99780	1.1
69.03420	1.1
69.07050	1.7
70.66609	1.0
70.66939	0.6
79.05487	3.1
81.07053	9.8
83.01343	5.0
83.04964	1.7
83.08582	0.8
86.09706	0.7
87.04460	0.9
91.05476	8.2
93.07023	3.0
95.01305	0.6
95.04964	2.6
95.08585	2.9
97.06525	1.3
103.05467	2.7
105.03382	1.1
105.07017	3.7
107.01379	0.5
107.04951	1.4
107.08593	3.8
108.16206	0.5
109.06526	3.0
109.10156	2.7
111.04395	0.8
115.05418	1.8
119.04937	1.4
119.08577	1.5
121.06489	1.5
121.10130	2.3
123.00793	4.6
123.04430	0.8
123.08063	1.1
123.11694	2.6
124.99987	1.0
125.05995	3.8
127.07547	6.3
129.07008	0.8
131.04918	8.8
133.10110	1.0
135.11687	1.9
137.05962	0.9
137.13260	0.5
141.01778	0.9
147.04405	1.5
147.11665	0.6
149.05994	2.9
149.13287	3.1
151.03914	13.0
151.07521	2.1
152.04665	2.0
153.05499	2.3
159.33609	0.5
161.13284	0.8
163.14793	0.8
165.05508	1.4
167.07045	6.2
169.08594	6.7
175.03905	2.9
176.14738	0.5
177.05424	2.4
178.07805	0.5
181.05006	1.0
183.06630	0.9
184.07321	4.4
185.07726	0.6
191.08569	1.7
193.04948	10.1
193.10112	3.0
195.06525	38.3
200.82510	0.5
205.19455	0.8
207.06474	1.0
209.08080	1.1
211.06006	100.0
212.06387	1.4
213.07562	17.3
217.19496	0.9
219.06281	0.4
219.08080	4.8
235.05959	0.6
249.07605	0.5
255.10237	0.6
257.11765	3.0
260.17618	0.5
261.09073	0.6
262.82150	0.4
281.11716	0.6
285.11374	0.7
295.09793	0.8
297.11200	79.2
298.11688	1.0
299.12772	34.8
300.12955	0.8
312.35257	0.4
321.11063	0.5
371.25864	3.7
385.14066	1.1
387.15836	2.2
397.23770	3.8
409.14478	1.0
415.24774	0.8
427.15283	1.8
429.16855	1.0
451.24591	0.7
454.66354	0.5
465.04663	0.5
501.29977	34.2
502.30667	0.8
577.21863	2.6
595.23364	4.9
631.33307	0.6
781.40204	1.0
799.42816	2.2
834.58337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.6
65.34824	0.5
65.63416	0.4
67.01846	0.6
67.05497	3.2
68.99776	1.0
69.03426	2.5
69.07050	1.8
71.14368	0.7
71.14689	0.5
77.03931	0.5
79.01838	0.4
79.05482	4.5
81.07048	12.6
83.00871	0.6
83.01333	7.3
83.04970	1.6
83.08633	0.7
83.19678	0.4
86.09687	0.5
87.04456	1.6
91.04950	0.6
91.05479	11.3
93.03396	0.7
93.07034	4.7
95.01353	0.6
95.04980	2.8
95.08601	4.3
97.06519	2.4
99.08073	0.7
100.89915	0.4
103.05463	2.9
105.03413	0.8
105.07018	5.0
107.04936	1.9
107.08588	4.0
109.06519	6.1
109.10139	2.4
111.04465	0.8
115.05437	2.6
117.06957	0.5
119.04952	2.7
119.08581	2.0
121.02863	0.5
121.06518	2.4
121.10110	3.1
123.00785	7.2
123.04380	1.0
123.08012	1.0
123.11698	2.3
125.05981	5.1
127.07548	8.9
131.04910	6.1
133.10153	0.8
135.11661	2.0
137.05949	1.4
139.07388	0.4
141.01788	1.2
147.04395	3.2
147.11667	1.0
149.05972	4.1
149.13266	3.0
151.03900	17.5
151.07545	2.9
152.04684	2.0
153.05505	2.7
155.03441	0.6
159.11636	0.5
161.06053	0.6
161.13243	1.0
163.07458	0.5
163.14882	0.7
165.05481	2.2
165.06761	0.7
167.07028	5.4
169.08592	5.4
175.03880	4.3
177.05466	2.9
178.07767	1.0
181.04974	0.7
183.06529	1.0
184.07343	2.0
185.06029	0.4
191.08522	2.1
193.04941	12.7
193.06656	0.8
193.10094	2.3
195.06519	41.2
196.06871	0.8
205.19467	1.4
209.07971	0.5
211.06001	100.0
212.06372	1.8
213.07570	14.7
215.08453	0.5
217.19513	1.3
219.06204	0.6
219.08069	6.4
219.62901	0.4
220.02899	0.4
227.68964	0.4
229.30344	0.4
234.07587	0.7
255.10150	1.1
257.11789	0.9
261.09070	0.5
279.09949	0.5
285.11325	0.6
295.09708	0.6
297.11197	67.0
298.11572	1.8
299.12762	29.7
300.13080	0.8
346.20038	0.5
371.25827	3.6
373.14285	0.7
385.14514	0.7
387.15973	2.8
397.23767	6.2
409.13803	0.6
415.24823	1.1
427.15363	1.1
429.16891	1.7
459.29016	1.0
501.29959	37.7
502.29993	2.1
577.22150	1.5
595.22986	3.3
631.33899	0.5
631.96954	0.5
781.40869	0.9
799.41498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	1.9
67.05492	3.2
69.03427	2.1
69.07056	2.0
69.85004	1.0
71.11826	0.9
71.72657	0.9
71.73164	1.5
79.05488	4.4
81.06599	1.6
81.07045	13.4
83.01328	7.5
83.04983	1.2
88.63190	0.9
91.05464	10.6
93.07040	4.3
95.04954	1.6
95.08607	3.3
97.06538	2.5
101.48731	0.9
103.05443	2.6
105.07025	4.0
107.04990	1.1
107.08601	6.6
109.05862	1.1
109.06485	5.1
109.10162	4.4
115.05463	2.8
119.08578	1.4
121.06523	1.9
121.10142	2.8
123.00782	3.8
123.11693	8.8
125.06000	4.9
127.07545	9.9
131.04901	5.8
135.11644	2.0
147.04420	2.0
149.05959	3.0
149.13220	12.6
151.03894	15.4
151.07550	3.2
153.05472	3.4
165.05525	1.9
167.07021	6.1
169.08586	7.4
175.03891	3.4
177.05484	2.7
184.07327	2.4
191.08612	2.9
193.04955	9.5
193.10153	5.9
195.06520	49.2
197.34755	1.2
205.19545	1.8
211.06001	100.0
212.06392	2.2
213.05688	0.8
213.07565	23.2
217.19547	2.2
219.08046	9.1
219.45464	1.1
224.66382	0.9
297.11209	76.2
298.11630	2.2
299.12762	53.2
323.12701	1.4
371.25836	3.6
385.14035	1.8
387.15997	4.5
397.23593	1.6
427.15692	2.7
429.16934	3.4
501.30011	35.9
502.30270	2.3
577.22144	2.3
578.03278	1.1
595.23920	4.7
631.34180	1.3
781.40338	2.0
799.41809	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	797.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.0
61.02919	6.8
67.05490	7.2
69.03426	4.2
69.07066	2.6
69.39031	10.0
71.66339	1.0
73.02908	4.5
79.05504	4.7
81.03424	2.1
81.07059	7.8
85.02900	7.4
91.03958	4.7
91.05486	3.2
93.07023	5.5
95.08617	6.0
97.02870	6.9
98.21500	2.1
99.04427	1.5
101.02402	3.2
105.07037	2.9
107.08608	2.4
109.10144	2.1
119.08590	1.6
121.10111	2.5
123.11756	1.4
127.03957	1.2
131.08630	1.5
133.10167	1.3
135.11739	3.1
184.07352	2.3
234.52487	1.4
243.08461	2.7
244.72911	1.2
254.58409	1.2
314.68518	1.2
497.31351	1.3
519.29272	18.5
641.39160	1.2
677.87549	1.5
797.51672	100.0
798.51648	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	799.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08142	5.1
63.48734	1.5
67.05484	4.1
68.99773	3.3
69.07051	3.0
69.67216	9.3
69.67625	2.9
71.07358	3.7
79.05479	3.0
81.07063	9.3
83.01322	3.9
86.09699	34.0
87.04453	3.8
87.10019	4.3
91.05493	8.1
93.07013	7.0
95.04945	3.2
95.08579	6.7
98.20747	1.8
98.98441	3.1
99.42331	1.6
103.05448	28.1
104.10703	2.3
105.03359	8.5
105.07020	4.3
107.04883	1.7
107.08577	7.4
109.10162	2.7
115.05447	3.2
115.07619	1.7
119.08541	1.8
121.06496	5.9
121.10104	4.4
121.11872	1.6
123.11690	2.8
124.99981	22.7
125.05990	8.1
126.00326	2.3
127.07580	3.7
129.06992	7.7
131.04915	74.9
133.10112	2.2
135.11678	3.3
149.05949	7.6
149.13237	4.6
151.07530	8.4
157.06467	3.9
167.07045	27.6
167.08441	1.8
169.08591	17.7
169.09920	2.8
173.06001	2.0
177.01714	2.7
177.05486	2.3
181.10030	2.0
183.08012	1.7
184.07326	100.0
185.05966	8.3
185.07674	6.3
193.04974	1.8
193.10077	2.5
195.06522	18.6
205.19409	2.7
209.91040	1.6
211.05984	7.3
213.07536	5.7
217.19508	1.8
219.06477	2.7
227.10645	9.4
237.09340	1.9
255.10147	52.8
256.10406	1.6
269.11804	2.4
297.11218	21.3
299.12784	10.7
305.11688	3.3
323.12845	2.3
325.10715	2.7
341.13742	5.0
371.25687	25.2
411.15793	2.0
429.16928	20.9
459.28833	38.1
501.30084	19.7
518.46576	2.0
577.21960	5.7
595.23090	3.9
781.41083	11.9
799.41553	9.7
799.55206	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	797.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	8.8
65.70080	0.8
67.01857	3.3
68.35780	0.9
68.99786	6.5
69.03420	5.6
70.47705	0.8
71.04987	50.8
71.72218	1.5
75.04467	2.1
75.67288	1.1
79.05473	0.8
81.03419	1.2
83.01382	0.8
83.04980	1.1
85.02900	49.5
87.04447	1.3
91.05456	0.9
95.04969	1.8
97.02316	0.8
97.02894	1.7
101.31396	0.8
103.05456	1.2
107.04954	1.6
109.02866	1.1
111.00787	1.6
111.04444	6.2
121.02879	3.5
122.57307	0.9
123.04404	2.1
125.02265	1.0
129.05470	10.5
135.04407	3.3
137.02307	3.1
139.03911	1.7
141.01880	1.0
147.04390	2.2
147.06532	2.0
149.02335	1.8
149.24670	0.9
150.03159	0.8
153.01816	100.0
159.04488	0.9
161.02350	1.1
163.03918	13.3
165.01846	5.6
167.03401	1.4
171.02881	2.4
171.04369	0.9
173.02267	0.9
175.03947	2.1
177.01814	10.3
177.05522	1.0
179.03391	5.8
181.01308	1.5
182.42967	0.8
183.02885	4.6
187.03902	3.8
189.01784	1.5
191.03377	29.2
192.04128	3.2
193.04915	1.9
195.02847	6.2
199.03915	1.6
202.02603	1.8
203.03389	7.3
205.01309	2.3
205.04915	2.0
207.02853	4.7
213.01938	1.4
215.03394	4.3
216.04221	1.1
217.04868	2.2
219.02867	22.4
220.03618	6.6
221.04404	10.4
225.05493	1.5
227.03458	2.4
229.05013	2.8
230.84450	1.0
231.02879	30.5
232.03554	2.8
233.04396	2.7
235.02382	2.8
243.02892	6.3
244.03667	2.4
245.04349	6.2
247.02374	20.2
248.03084	2.7
249.03815	1.4
253.04958	2.0
255.02829	5.4
257.04425	2.7
259.02347	4.7
260.03098	2.5
261.03891	3.2
263.05475	1.1
265.05103	1.5
267.02832	1.5
267.06616	1.4
269.04456	2.0
271.02441	5.5
273.03903	4.1
277.05081	1.4
281.00912	1.3
281.04169	2.1
283.02377	5.0
285.03885	5.0
287.01846	2.9
289.03418	1.6
293.04544	3.4
294.03720	1.8
295.02686	1.9
295.06006	4.5
297.03885	2.8
299.01953	2.0
300.02728	1.2
301.03317	5.1
302.04364	1.4
305.04459	3.0
307.05981	0.9
309.00580	1.3
309.03952	3.2
311.01926	1.7
311.05463	1.3
313.03357	7.2
319.04938	1.8
321.03986	4.7
323.02042	1.5
323.05380	4.4
325.03430	3.3
327.04861	1.3
329.02887	25.8
329.06845	1.3
330.03540	2.1
333.03815	3.0
335.05490	2.1
337.03180	5.5
338.04169	1.4
339.05109	2.2
341.03168	2.0
343.04504	2.8
349.03461	3.9
350.04095	1.7
351.01285	1.4
351.04938	6.5
353.02930	5.3
355.04733	1.7
359.04025	7.6
361.03366	2.9
363.05014	3.0
365.02838	9.2
366.03506	3.0
367.04514	4.0
369.02292	4.6
369.06436	1.1
371.04037	1.6
373.03366	1.6
374.04156	1.4
375.04974	1.1
377.02875	5.5
378.03967	1.3
379.00491	0.8
379.04486	9.0
381.02261	1.1
383.03705	1.9
385.02069	1.5
389.02786	4.0
391.04349	4.3
393.02316	7.5
394.03223	9.1
395.03882	3.9
403.04691	1.5
405.02356	3.9
406.03043	1.2
407.03958	9.1
411.04370	1.0
417.02344	2.9
419.03964	3.5
421.01590	2.6
423.03186	1.8
425.04993	2.8
429.02258	1.3
431.03967	2.2
433.01764	3.8
435.03470	7.6
437.05524	1.5
439.04147	1.0
441.06265	1.0
445.01422	2.0
447.03354	3.2
451.03400	1.1
452.03549	1.1
453.04599	2.4
459.03372	1.2
461.00766	1.7
463.03320	1.7
481.03775	1.1
501.04874	1.0
503.06549	0.9
513.03748	1.5
525.04272	2.4
541.04059	3.3
543.05707	2.0
555.05365	1.3
559.05469	1.1
565.03766	1.4
566.56659	1.1
569.02594	1.4
571.05322	5.5
580.05743	1.0
587.04541	24.8
589.06091	8.5
597.02765	2.0
599.04681	1.4
601.06104	3.4
605.05231	2.7
607.07367	4.5
611.04614	5.4
613.05994	4.8
615.04010	55.3
616.04779	1.4
627.03943	2.0
629.05591	3.3
631.06342	1.6
633.05084	79.8
634.04791	3.4
637.06335	1.1
639.03802	9.2
645.04944	9.9
651.06183	21.3
653.05145	3.2
655.06854	1.6
657.05060	18.3
658.06567	1.0
663.05859	6.2
675.05951	7.1
679.07239	2.2
681.05341	6.2
693.06488	1.4
699.06201	9.5
707.06549	5.2
717.06769	1.8
725.07721	7.5
743.08783	5.5
761.09894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.6
61.02920	6.0
67.05495	5.8
69.03429	3.2
69.07054	2.1
69.64208	3.4
69.87516	0.5
71.01352	0.7
71.04992	4.7
73.02911	4.3
79.05489	4.3
81.03406	2.2
81.07047	7.7
83.04965	1.4
83.08620	1.2
85.02902	5.3
87.04472	0.4
91.03960	2.5
91.05470	5.4
93.07028	4.6
95.04990	0.8
95.08620	1.8
97.02890	4.8
97.06554	1.1
98.21468	0.5
99.04467	0.9
101.02377	2.2
103.03934	0.6
105.07021	2.6
107.04947	0.6
107.08597	2.3
109.02888	1.1
109.06546	0.5
109.10150	1.2
112.64156	0.4
117.07022	1.2
119.08611	1.0
121.10128	0.7
122.80725	0.4
123.11716	1.3
127.03096	0.5
127.03951	1.8
131.08562	1.6
133.10110	4.1
135.11679	0.9
145.10123	0.6
149.13255	1.0
151.11232	1.3
159.11713	1.1
183.13858	0.5
185.04181	0.6
187.13266	0.5
243.08414	3.2
257.17496	0.6
267.15915	0.8
333.20432	2.6
389.23077	0.7
439.19611	0.8
443.43771	0.5
453.21173	1.6
485.23541	10.0
495.75623	0.4
503.23666	0.5
551.28241	4.9
795.44916	100.0
796.45270	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78183	0.9
65.03942	2.3
65.79684	0.9
68.99784	11.9
70.09278	4.6
79.01846	3.2
81.03414	3.8
95.01313	1.1
95.04951	1.7
97.02885	2.3
98.16351	1.0
105.03358	2.7
107.04972	2.0
109.02857	4.9
111.00791	8.7
111.04490	1.3
115.05436	1.9
115.70987	1.1
119.04932	2.1
121.02868	5.2
123.04433	15.2
125.02340	4.4
126.03110	1.4
127.03909	62.7
131.04979	2.1
133.02852	3.0
134.03598	1.0
135.04379	3.5
137.02382	1.2
139.03893	100.0
143.03401	5.3
143.04813	1.0
145.02881	2.1
147.04373	7.7
149.02319	4.0
150.03114	4.5
151.03896	35.5
153.01822	42.6
153.02895	1.9
154.02141	1.9
155.03394	11.0
157.06474	1.3
159.04492	2.7
161.06001	1.8
162.03110	4.3
163.03894	18.4
164.04686	2.5
165.01871	1.7
165.05475	4.9
167.03355	3.5
167.04736	1.1
171.04378	2.9
173.05997	1.7
175.03899	12.2
176.04607	1.3
177.01834	2.3
177.05475	5.7
178.02623	3.7
179.03389	41.9
181.04961	4.1
183.04532	1.1
185.05966	1.8
187.03918	4.7
189.05559	5.2
191.03394	9.8
192.04195	1.7
193.04929	3.6
195.02896	2.9
197.06087	1.8
199.03923	4.3
200.04788	1.7
201.05499	5.3
203.03372	17.4
205.01233	1.3
205.04950	7.9
207.02946	1.5
211.03923	1.2
213.05440	7.2
215.03368	4.4
215.07042	1.3
217.04939	5.6
219.03000	2.5
219.06653	1.0
221.04338	1.5
223.02301	9.6
225.05519	1.5
227.03323	1.6
227.07016	1.2
228.04140	1.4
229.04979	8.5
231.02910	11.2
231.06493	2.0
232.03624	2.6
233.04471	3.0
235.02245	1.6
241.04956	5.7
243.02908	3.1
243.06433	1.5
244.03722	1.5
245.04454	17.3
247.05937	2.3
253.04895	2.6
255.02861	1.8
257.04474	20.3
258.05225	2.5
259.02487	1.1
259.06027	3.5
261.03918	7.6
263.05463	23.0
269.04501	6.8
271.02972	1.2
271.05981	5.3
273.03964	5.8
274.04657	8.9
275.05450	11.0
277.03421	1.5
277.07111	2.1
279.04907	1.8
281.04462	1.9
282.05170	1.3
283.05881	1.6
285.03888	7.2
286.04694	3.1
287.05478	48.6
288.06149	5.3
289.03427	3.7
289.07056	5.3
290.04102	1.2
291.04932	2.8
293.03970	1.4
295.05948	1.4
297.04089	2.1
298.04553	3.4
299.05438	11.1
301.03488	3.6
301.07004	1.3
302.04208	11.7
303.04956	20.0
304.05713	3.7
305.06491	10.9
311.05450	1.6
313.03351	1.6
313.06854	1.3
315.04996	4.6
317.06580	5.6
319.04297	2.7
323.05359	1.4
325.03241	1.3
327.04758	2.7
333.06448	1.5
349.07135	1.3
361.06961	1.8
365.06747	1.6
377.06598	1.6
381.06265	1.3
389.06610	1.7
393.06192	2.7
395.07562	2.0
405.06046	2.8
407.07645	6.5
411.07217	1.9
413.08496	1.8
421.05374	1.9
422.06216	1.5
423.07205	7.7
424.07883	3.0
425.08752	6.9
435.07104	9.4
436.07632	2.7
439.06775	3.2
441.08200	4.7
451.05942	1.2
457.07474	6.4
573.09790	2.2
574.10773	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	794.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23770	4.0
57.03430	15.8
57.07068	6.6
59.34454	3.8
59.68647	3.5
61.02904	4.8
61.34487	3.4
67.05151	6.2
67.05499	100.0
69.07063	37.9
71.04979	5.2
71.70820	5.4
79.05486	44.8
81.07054	89.4
83.08608	15.6
87.04466	6.2
91.05445	27.7
93.07043	51.3
95.08606	82.7
97.02880	4.3
97.06507	5.5
97.10152	10.0
105.07026	20.6
107.08583	31.6
109.10165	32.9
117.06953	4.6
119.08577	14.5
119.26478	3.9
121.10130	20.2
123.11656	6.0
131.08577	7.9
133.10127	13.0
135.11688	16.0
145.10110	7.9
147.11678	13.0
149.13206	12.6
159.11703	6.0
161.13264	7.0
163.14972	5.1
173.13226	4.9
175.14824	5.6
177.16257	3.7
187.14810	3.9
243.21143	7.7
250.42172	3.5
259.20416	5.7
261.22128	10.0
263.23593	5.0
335.25757	52.5
337.27322	49.1
388.04086	3.7
532.98163	3.9
597.48981	17.8
615.49518	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	794.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	6.1
57.07057	2.8
65.03945	1.5
67.05143	2.3
67.05499	38.5
69.07063	15.9
71.04976	1.5
71.35732	1.2
71.55785	1.3
71.72515	2.4
79.05492	15.8
81.03401	1.7
81.07052	38.9
83.08607	9.3
85.06526	1.3
89.28190	1.2
91.05479	20.2
93.07047	17.5
95.04979	1.5
95.08600	35.9
97.06503	6.6
97.10154	4.9
99.08076	2.2
105.07030	7.1
107.08588	9.8
109.10151	12.7
111.08048	2.0
111.11724	2.4
116.11652	1.4
117.07016	2.8
119.04941	22.0
119.08568	5.2
121.10127	14.3
123.11676	2.8
131.08548	5.0
133.10162	8.2
135.11687	10.1
137.09608	1.8
137.13177	1.6
145.10103	2.5
147.04398	100.0
147.11674	4.4
148.04741	1.2
149.13249	2.5
151.11086	1.4
159.11613	2.5
161.13283	1.6
165.05499	2.0
184.07347	2.3
215.17888	3.9
217.19736	1.2
233.18980	3.4
235.20671	2.1
251.20036	4.0
307.22702	5.2
309.24207	19.1
325.23709	24.5
327.25378	12.8
345.26285	1.5
471.27631	2.1
473.29092	1.9
489.28476	2.7
559.43463	16.2
577.44623	32.5
723.48273	6.5
741.49481	2.2
781.94586	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	793.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.7
61.02925	6.2
67.05502	9.0
67.80099	1.5
69.03429	5.3
69.07063	2.9
71.05000	4.4
71.71382	2.0
73.02934	5.1
79.05502	5.2
81.03418	4.1
81.07049	10.1
83.04962	1.5
83.08636	1.9
83.54957	1.4
85.02891	7.5
91.03953	3.5
91.05490	4.9
93.07045	6.1
94.43094	1.6
95.04992	2.3
95.08636	3.8
97.02888	4.7
97.06532	2.2
99.04419	1.5
101.02395	1.8
105.07039	3.0
107.04956	1.8
107.08600	2.9
109.10194	2.3
117.06992	2.2
121.10146	1.6
123.11725	1.8
127.03947	1.5
130.16353	1.7
131.04909	1.5
131.08594	2.0
133.10181	4.3
135.11682	1.5
243.08481	3.6
267.15643	2.3
313.17908	1.8
323.18484	1.5
331.18845	2.8
357.15530	1.4
416.89838	1.6
424.14551	1.6
477.28510	1.6
485.23557	11.4
531.26117	3.1
549.26721	3.4
724.35242	1.6
775.42334	11.2
793.43347	100.0
794.43658	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	793.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.4
57.03424	2.3
59.04990	0.7
61.02925	4.2
64.66173	0.4
67.05502	6.6
68.05817	0.5
69.03433	2.9
69.07059	4.3
71.01344	0.7
71.04978	3.1
71.19066	0.4
73.02909	2.7
79.05492	5.9
80.05833	0.5
81.03416	3.9
81.07053	8.2
82.07369	1.2
82.57052	0.4
83.04982	1.5
83.08614	1.6
85.02899	4.3
85.06561	0.5
87.04464	0.5
91.03957	2.5
91.05476	7.0
93.07040	6.2
94.07384	0.6
94.94786	0.5
95.01311	0.8
95.04955	2.3
95.08591	3.4
96.08946	0.4
97.02902	4.3
97.06541	1.8
99.04444	0.9
101.02397	1.9
103.03975	0.6
105.07028	5.6
107.04947	1.7
107.08580	3.6
108.08971	0.6
109.02820	0.7
109.06522	1.0
109.10173	1.4
111.08049	0.9
116.11501	0.4
117.07034	1.2
119.08585	3.4
121.06590	0.5
121.10151	2.5
123.04465	0.6
123.11690	0.7
127.03931	1.6
129.07071	0.9
131.08546	2.8
133.10103	2.9
135.11673	1.0
145.10127	1.1
147.11662	2.0
149.09599	3.1
149.13216	0.8
151.11075	0.4
152.21938	0.4
157.10127	1.0
159.11719	0.8
161.13200	0.5
163.11211	0.5
175.11177	1.1
179.14342	0.9
183.20677	0.5
193.12335	1.2
225.14836	0.6
225.66728	0.5
243.08406	3.8
263.40048	0.5
267.15948	1.1
274.29385	0.4
275.20148	0.9
283.15216	2.6
283.17966	0.4
315.19321	4.2
339.17859	0.5
350.24103	0.6
371.22125	1.4
469.20407	0.8
483.22150	0.5
485.17096	0.6
501.23114	11.8
520.36932	0.6
533.27173	11.2
533.34924	0.7
594.42664	0.6
613.37103	0.5
793.43427	100.0
794.43970	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	792.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.6
55.05504	16.6
57.03171	0.6
57.03432	10.1
57.07058	1.7
61.02911	2.4
65.03938	2.9
67.05496	62.4
68.05811	0.7
69.03417	1.1
69.06686	0.9
69.07056	14.8
70.26860	1.9
71.04979	2.2
71.08607	0.6
73.02885	0.9
77.03867	0.7
79.05482	38.5
80.05813	0.8
81.03403	0.7
81.07046	59.9
82.07397	0.6
83.04958	1.5
83.08604	7.9
85.02895	2.7
85.06532	1.4
91.03927	1.3
91.05467	23.0
93.07032	44.3
94.07354	0.9
95.04967	5.4
95.08594	45.8
96.08888	0.7
97.02878	1.6
97.06501	2.4
97.10146	2.8
99.08075	0.8
105.04517	0.8
105.07019	18.2
107.08582	25.1
108.08910	0.6
109.06482	1.4
109.10143	21.0
111.08061	1.4
113.09613	0.5
115.05401	0.5
117.07003	8.0
119.08572	14.2
121.10130	20.2
123.08033	1.4
123.11698	7.5
125.09583	0.9
129.06987	1.7
131.08559	12.6
133.10118	12.3
135.08009	0.6
135.11678	14.6
137.09602	0.6
137.13225	2.2
139.11180	0.6
143.08533	1.8
144.06528	0.5
145.10114	9.4
146.10512	0.6
147.11667	9.2
149.09633	0.6
149.13235	8.0
151.11226	0.6
151.14864	0.8
155.08492	0.8
157.10095	1.7
159.11682	9.5
161.13240	7.5
163.14801	5.0
171.11650	2.6
173.13235	7.0
175.14777	4.1
177.05392	0.7
177.12674	0.9
177.16400	2.1
180.01640	0.5
181.10107	0.5
183.11705	0.6
185.13258	2.8
187.14810	3.9
189.16406	1.4
199.14798	1.2
201.16324	1.6
201.18179	0.5
203.18047	0.9
211.14751	0.6
211.75113	0.5
213.16434	0.7
233.22542	0.9
238.60591	0.5
239.18042	0.6
241.19641	3.6
243.21062	5.3
245.22618	0.7
257.18930	0.6
259.20541	7.2
261.22107	19.9
262.22409	1.2
263.23593	1.6
273.22141	0.6
277.21689	0.9
279.23077	0.8
299.23602	0.8
301.25424	0.5
315.23141	0.5
315.27310	0.5
317.24680	4.7
333.24115	5.9
335.25766	100.0
336.26056	5.3
337.27347	10.7
493.51779	0.5
521.43317	1.4
539.44159	0.7
543.40076	0.7
595.47162	13.5
596.47382	1.7
613.48175	9.5
614.48450	1.0
666.22675	0.5
738.71613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.5
55.05504	32.8
55.41966	2.2
57.03433	25.3
57.07099	2.1
59.04991	3.2
61.02911	4.1
65.03922	4.0
67.05500	100.0
68.88100	1.8
69.03410	6.8
69.07064	25.7
71.04985	11.0
73.02885	2.1
75.43802	1.9
79.05486	63.5
81.03410	80.5
81.07048	92.7
83.04971	23.2
83.08613	42.2
85.02895	37.8
85.06544	4.9
91.04926	4.5
91.05470	68.3
93.07038	54.1
95.04958	37.7
95.08601	33.7
97.02898	6.6
97.06514	14.2
97.10133	11.1
99.08092	3.5
105.07022	52.4
107.04947	14.7
107.08580	41.2
109.06510	16.0
109.10145	48.3
111.04471	4.7
111.08071	21.6
113.05994	5.6
115.05367	2.4
117.07007	12.9
119.08574	40.1
121.06483	7.6
121.10130	24.6
123.08039	6.4
123.11696	6.5
125.09605	10.6
129.06992	18.9
131.08543	26.7
133.06468	6.1
133.10127	28.2
135.08008	6.1
135.11678	8.0
137.09615	8.4
142.07785	4.4
145.10089	11.3
147.08063	3.5
147.11670	30.0
149.09607	14.9
149.13260	9.3
151.11108	3.1
155.08632	3.8
155.10674	2.7
157.10121	22.7
159.11696	9.0
161.13295	4.1
163.11197	7.1
163.14915	2.6
165.12740	6.7
169.10164	2.6
171.11678	5.0
173.11749	11.4
173.13110	3.1
174.07120	2.2
175.11163	20.5
177.12781	2.8
183.11710	2.1
184.07399	2.7
189.11218	5.5
193.12227	46.6
195.13773	5.0
211.13268	63.2
211.15178	3.8
227.12766	10.7
229.14328	27.4
229.67828	2.8
239.18022	2.5
249.14783	3.1
257.18979	9.3
267.09274	2.4
267.15881	35.0
269.17471	24.3
275.20071	36.0
285.16940	59.2
293.21179	3.3
310.27823	2.3
331.22684	2.6
349.23807	23.4
367.24780	13.3
421.25629	11.3
439.26920	78.2
443.27838	3.5
460.02969	2.2
461.28976	18.3
479.29987	70.4
541.35083	23.5
559.28247	3.5
559.36310	52.2
577.37201	24.0
583.30853	3.8
623.34515	4.0
792.37323	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	790.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.5
55.05514	28.4
57.03444	13.9
57.07058	3.5
59.04997	3.2
60.22296	2.0
61.02916	2.3
65.03929	3.7
67.05502	85.7
68.80437	1.8
69.03429	10.7
69.07060	28.5
69.64532	13.3
71.04990	17.9
73.02941	1.5
79.05038	3.3
79.05492	61.3
81.02956	3.4
81.03414	45.4
81.07054	100.0
83.04975	14.8
83.08611	21.5
85.02892	7.4
85.06531	7.2
86.09686	2.6
86.66814	2.0
91.05478	66.3
92.05834	1.9
93.07043	63.1
95.04961	22.5
95.08600	45.9
97.02878	6.3
97.06527	11.5
97.10151	10.1
99.08094	4.4
105.07024	57.7
107.04939	8.2
107.07905	1.5
107.08590	39.0
108.20470	1.8
109.06497	9.0
109.10156	23.7
111.04401	2.7
111.08095	8.3
113.09667	2.3
115.05440	2.3
117.07035	23.0
119.08573	43.3
121.06489	5.9
121.10136	30.2
123.04422	2.0
123.08055	7.3
123.11710	9.4
125.09636	11.3
128.06258	3.2
129.07011	15.4
130.07762	2.5
131.08569	30.9
133.06488	4.2
133.10120	34.9
135.08063	7.1
135.11673	15.6
137.09576	4.4
139.11185	2.3
141.06966	2.4
142.07791	3.4
143.08568	13.0
145.06551	2.1
145.10106	19.3
147.08064	3.9
147.11668	24.2
149.09622	7.5
149.13246	9.2
149.95879	1.7
151.11166	7.7
155.08553	5.3
157.10146	14.5
159.08093	2.6
159.11690	18.9
161.13242	11.1
163.11165	8.6
165.12755	2.3
167.08618	2.3
168.38863	1.8
169.10109	7.1
171.11659	12.2
173.09683	4.4
173.11873	1.9
173.13203	8.6
175.11192	6.9
175.14835	3.6
177.12740	2.8
181.10149	3.5
183.11748	5.9
184.07375	4.0
185.13190	10.0
187.13356	2.8
187.14888	3.0
189.11166	4.1
189.12750	3.6
193.12289	6.7
195.11598	5.1
195.13789	3.9
197.13281	4.4
199.11206	2.5
199.14830	4.9
201.16495	2.3
207.11845	2.1
208.22643	1.8
209.13283	3.2
211.13123	2.8
217.15952	2.5
227.12830	8.0
229.14378	5.9
239.18080	2.3
241.19467	3.7
243.15948	3.6
253.14268	3.7
257.19159	3.2
259.20529	10.5
267.15878	15.6
269.17435	10.9
275.20154	9.5
283.15390	1.9
285.17072	3.2
291.19727	2.7
292.19864	1.8
297.22076	2.5
299.23660	4.7
301.20053	6.4
333.24216	8.1
349.23828	5.1
403.24722	2.1
407.24423	1.8
415.30481	2.3
417.26093	2.4
421.25656	3.4
423.27475	5.4
433.31076	6.6
435.27472	4.2
437.29013	11.1
449.28781	6.0
451.32111	9.4
455.54617	2.2
463.30545	7.2
469.33344	2.9
477.28281	2.6
495.33002	9.1
499.33823	2.4
503.33508	4.1
507.34738	3.0
517.35474	11.1
525.35815	33.2
543.36761	68.6
544.37775	2.9
557.37970	7.1
561.37762	3.0
566.28137	2.0
575.39917	11.1
791.40625	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	790.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
55.05507	15.2
57.03432	6.9
57.07066	2.1
59.05003	2.1
61.02917	3.0
65.03950	1.6
67.05500	66.1
69.03423	5.7
69.06705	1.3
69.07068	20.6
71.04989	28.6
71.08645	0.9
71.69961	1.0
71.70341	1.4
79.05490	35.9
81.03410	9.5
81.07050	100.0
82.07374	1.4
83.04972	8.3
83.08619	12.9
84.10433	0.9
85.02917	5.6
85.06537	8.0
91.03933	0.9
91.05473	39.2
92.05814	1.1
93.07037	42.9
95.04959	7.6
95.08601	21.0
97.02892	3.3
97.06516	10.9
97.10168	3.8
99.08089	3.2
105.07019	26.6
107.04949	4.9
107.08581	28.9
107.09263	1.8
109.02898	1.8
109.06519	4.9
109.10162	12.9
111.08075	5.6
115.25768	0.9
117.07022	10.3
119.08575	13.3
121.06510	3.6
121.10146	13.1
123.08059	2.6
123.11695	13.3
125.09634	3.8
127.03908	2.0
129.05396	1.6
129.07005	2.5
131.08557	13.4
133.10114	25.7
135.08061	3.5
135.11681	13.2
137.09642	2.3
141.07034	1.1
143.08545	2.0
145.04959	1.0
145.10097	8.4
147.08018	1.3
147.11656	7.2
149.09639	5.7
149.13240	12.5
151.11166	8.6
155.08540	1.9
157.10156	3.5
159.11681	13.5
161.13203	1.5
163.11203	4.9
169.10139	1.1
171.11693	2.6
173.04402	2.2
173.13301	2.6
177.12781	3.4
179.14284	1.3
183.13840	4.3
184.07272	1.9
187.13245	4.8
193.12267	2.1
195.13742	6.1
199.14891	1.2
200.15556	0.8
201.14870	1.5
213.14964	1.6
225.14813	2.6
227.12738	2.2
229.14307	1.0
243.15930	3.8
247.20528	1.1
253.14450	1.6
255.15900	2.0
257.17221	1.4
257.19293	2.0
259.20633	1.3
267.15875	3.7
269.17468	14.8
275.19995	10.5
293.21225	2.3
298.02945	0.9
301.20068	17.8
349.23566	8.3
367.24698	1.9
404.47430	1.0
413.21579	1.0
419.27798	2.1
423.27390	8.2
437.28995	30.0
443.21579	1.0
445.29419	2.6
449.28934	15.0
451.30515	7.8
463.30499	24.7
477.32025	1.9
481.31784	4.8
495.33167	45.7
496.33279	1.7
499.34271	2.5
517.35181	17.2
525.35693	1.7
531.36530	2.2
535.36011	2.0
542.35858	1.5
543.36664	9.5
561.37866	3.4
575.39532	8.3
581.32941	2.3
593.40558	1.9
607.34747	2.4
639.36603	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	790.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.8
55.05510	18.7
57.03431	9.0
57.07065	2.3
59.04993	1.5
61.02909	2.9
65.03925	3.3
67.05498	70.3
69.03429	7.3
69.07059	19.0
70.35681	3.7
71.04985	32.3
71.05389	1.2
71.08617	1.1
73.02906	1.5
73.10517	0.7
77.03889	1.4
79.05486	38.9
81.03422	10.0
81.07050	100.0
82.07365	1.0
83.04976	11.0
83.08616	13.2
85.02888	3.0
85.06517	8.1
91.05472	45.0
93.07037	41.9
95.01302	1.0
95.04956	10.3
95.08014	1.7
95.08598	24.6
96.08929	0.8
97.02879	3.6
97.06519	11.9
97.10152	4.5
99.04431	0.9
99.08071	2.1
103.05430	0.9
105.04503	1.2
105.07018	27.3
106.07322	1.3
107.04932	6.1
107.08580	25.9
109.02863	1.6
109.06505	4.7
109.10128	11.4
111.08056	3.4
113.09641	1.2
115.05421	1.9
116.83646	0.9
117.07005	10.7
119.08563	12.7
121.06505	2.9
121.10137	12.7
121.18708	0.9
123.08063	3.0
123.11703	12.3
125.09601	3.1
127.03928	1.6
129.05458	1.2
129.06995	3.3
131.08560	14.9
133.06482	1.3
133.10121	26.3
135.08046	2.6
135.11679	10.2
137.09648	1.2
139.11194	1.2
143.08577	2.1
144.09233	0.9
145.06514	1.0
145.10103	8.7
147.08055	1.3
147.11678	4.9
149.09604	6.9
149.13255	11.6
151.11154	9.1
155.08571	2.1
157.10114	2.8
159.11685	10.6
161.09618	1.1
161.13229	2.5
163.11201	4.8
169.10126	1.5
171.10350	0.9
171.11716	3.0
173.04466	2.9
173.13272	3.0
175.11197	2.0
177.12691	4.4
179.14317	2.2
181.12158	1.0
181.24818	0.9
183.11697	1.2
183.13777	2.9
184.07259	1.0
185.13231	1.3
187.13283	3.3
189.11295	1.0
193.12277	1.0
195.13768	4.1
197.13219	1.2
201.14836	1.3
213.14816	1.4
225.14868	2.4
227.12727	3.4
229.19687	1.5
243.15900	2.6
251.16458	1.3
255.15935	1.7
257.17203	2.7
257.19305	1.6
267.15909	3.3
268.16263	1.0
269.17444	12.0
275.20044	12.7
293.21063	1.6
301.20059	19.4
331.22574	1.7
339.17740	1.0
349.23709	9.5
350.23669	1.0
419.28192	1.6
423.27332	6.4
427.26559	1.3
435.31229	1.1
437.28934	22.9
445.23914	1.1
445.29520	1.9
449.28967	18.0
451.30496	8.1
455.29733	1.0
463.30557	16.3
463.96848	1.0
481.31494	5.0
495.33148	32.6
499.34103	4.2
515.37299	1.1
517.35260	27.4
518.34900	1.5
531.36432	3.3
535.36243	2.6
543.36493	13.7
561.37665	2.7
575.39368	8.9
581.32495	2.4
593.40100	2.4
607.34436	3.3
639.36920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.4
55.05286	3.0
55.05511	36.3
57.03434	21.3
57.07071	5.0
59.04997	33.8
61.02907	3.0
65.03928	3.4
67.05495	100.0
67.05856	5.2
68.87826	2.3
69.03415	5.1
69.07061	15.4
71.04974	12.0
73.02892	2.8
79.05479	44.8
81.03410	10.5
81.07044	60.0
83.04950	6.7
83.08606	13.8
85.02889	5.4
86.09695	2.3
87.04453	48.6
91.05474	29.9
93.07040	42.1
95.04939	8.1
95.08595	40.8
97.02854	6.9
97.06498	5.9
97.10165	17.4
99.04433	14.7
99.08098	3.3
105.07005	18.7
107.04874	2.7
107.08588	25.7
109.06478	2.6
109.10142	64.6
110.10447	2.6
111.08055	4.1
113.06013	2.8
117.07010	6.9
119.08549	17.4
121.10148	23.1
123.11697	6.7
125.09622	15.9
125.80393	2.5
131.08571	9.5
133.08588	2.7
133.10094	12.4
135.08078	2.6
135.11659	8.3
145.10117	10.3
147.11685	2.9
149.09525	4.7
149.13277	4.0
159.11659	5.4
161.13184	3.5
163.11159	3.7
163.14792	3.2
163.73752	2.2
171.11731	3.7
173.11755	17.3
173.13199	3.8
184.07362	8.8
193.12166	3.4
199.13280	9.7
227.12714	3.2
227.20119	4.0
229.14331	39.4
229.72224	3.5
243.21111	5.3
261.22131	10.1
267.15866	7.7
315.18033	6.7
328.35712	2.5
335.25757	53.6
477.35706	15.5
489.35706	39.7
491.37195	10.9
531.40228	3.0
575.39368	3.5
613.47882	6.6
631.49493	3.3
656.02502	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	790.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.7
55.05509	28.1
57.03427	16.6
57.07076	2.4
59.04996	2.5
61.02917	3.8
65.03938	2.6
67.05498	100.0
68.78902	1.0
69.03413	3.8
69.06701	1.5
69.07062	21.0
71.04639	1.6
71.04981	7.3
71.72480	1.4
71.72848	1.1
73.02901	2.5
75.50934	1.3
79.05489	37.6
81.03408	15.0
81.07049	75.0
83.04968	11.7
83.08609	21.1
85.02902	12.6
85.06528	5.5
86.09698	4.8
87.04473	3.2
91.03967	2.1
91.05470	25.3
93.07032	51.1
95.04950	8.1
95.08596	21.5
97.02859	4.5
97.06520	11.1
97.10167	12.0
99.04404	1.6
99.08073	4.5
105.07025	10.7
107.04948	4.4
107.08582	30.2
109.06501	4.5
109.10140	43.0
111.00955	1.3
111.04449	2.2
111.08033	6.6
112.17788	1.1
113.09676	1.4
117.06985	10.1
119.08569	8.6
120.09562	1.3
121.06501	3.3
121.10136	13.8
123.08047	2.1
123.11689	3.1
124.99992	2.9
125.09626	9.3
129.05481	2.4
129.06985	2.0
131.08548	9.0
133.10123	10.1
135.08022	3.3
135.11678	10.8
137.09634	3.5
139.11200	1.4
142.07642	1.1
145.10143	4.1
147.11693	3.0
149.09485	1.2
149.13235	28.7
153.12718	3.3
155.10658	1.7
159.11699	12.0
163.11203	5.8
173.09538	1.4
173.11728	16.9
173.13161	2.0
177.12724	6.6
181.12273	2.1
184.07315	11.0
191.10712	2.9
193.12230	2.0
195.13765	14.3
199.13293	6.2
209.11731	4.8
211.13249	2.5
213.14893	2.0
227.12831	6.7
229.14326	39.0
230.14693	1.4
265.14206	1.6
267.09280	1.8
267.15942	4.6
269.17453	76.6
270.18011	1.5
283.15384	5.2
285.10086	4.8
301.16473	8.0
324.11487	4.1
399.23615	9.8
411.27438	3.5
423.27411	58.8
461.29031	2.3
463.22885	3.3
477.28506	4.1
495.29501	10.6
503.71948	1.3
513.30719	1.5
593.36780	28.9
594.36737	1.6
620.02087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01686	1.7
55.01870	17.5
55.05241	2.7
55.05507	42.5
57.03428	23.4
59.04993	2.9
59.32520	1.7
61.02923	9.2
65.03946	3.5
67.05502	96.0
69.03421	13.5
69.07066	48.3
71.01362	3.1
71.04997	14.2
73.02909	5.1
79.05488	79.5
81.03413	72.9
81.07050	100.0
83.04974	24.2
83.08623	32.2
85.02901	22.6
85.06532	4.1
91.05474	85.9
93.07033	70.7
95.04963	44.0
95.08600	44.8
96.16360	1.8
97.02891	13.2
97.06528	27.4
97.10151	11.7
99.08100	4.7
103.05476	2.4
105.07021	61.8
107.04942	20.0
107.08587	34.0
109.02896	3.9
109.06510	13.5
109.10155	31.7
111.04455	5.1
111.08083	14.2
113.06008	4.2
115.05473	2.8
115.07546	2.9
116.04674	3.2
116.06252	2.1
117.07021	16.0
119.08567	42.9
121.06503	8.5
121.10146	22.6
123.08059	11.3
123.11734	6.8
125.09628	7.8
127.03895	2.9
128.06226	3.7
129.05472	7.8
129.06989	19.8
131.08554	27.6
133.06497	8.1
133.10112	41.8
135.08067	9.6
135.11682	13.6
137.09608	12.5
139.07544	3.7
141.07091	2.2
142.07764	2.3
143.03323	2.0
143.07024	3.1
143.08534	6.6
145.10091	17.1
147.08070	6.3
147.11676	26.0
149.09607	20.3
149.13258	6.3
151.11214	7.5
155.08459	3.3
157.08806	3.8
157.10110	22.0
159.08081	3.4
159.11661	12.4
161.09634	3.6
161.13243	5.3
163.11226	11.3
165.09045	3.1
165.12769	3.6
169.10135	2.7
171.11699	4.8
173.09602	2.5
173.11760	8.8
173.13164	4.4
175.11212	17.2
176.11826	2.0
177.12753	4.7
179.14348	4.9
181.12201	3.0
183.11588	2.9
184.07335	2.4
187.13341	3.1
189.11263	3.0
193.12219	50.0
195.13861	6.9
209.11821	2.3
211.13261	51.2
212.13580	2.4
227.12848	5.0
229.14334	5.3
243.15898	3.5
245.18889	2.2
249.14975	2.6
252.12846	2.0
253.14394	9.2
255.15909	5.8
257.19095	7.0
267.15900	22.4
269.17419	17.8
273.18561	8.3
275.20074	24.6
285.16953	34.9
291.19589	8.8
293.20850	2.5
301.16388	11.0
349.23752	27.6
365.23227	6.3
381.22705	2.3
421.25714	2.3
423.27301	5.8
439.26999	8.5
453.28665	3.0
463.30649	6.0
465.28799	3.5
479.29956	2.2
481.28299	3.6
495.29398	7.5
541.35077	7.6
557.34656	5.6
559.36304	19.4
560.36230	2.5
575.35583	4.6
577.37189	2.8
639.18848	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	790.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.7
55.05509	28.1
57.03427	16.6
57.07076	2.4
59.04996	2.5
61.02917	3.8
65.03938	2.6
67.05498	100.0
68.78902	1.0
69.03413	3.8
69.06701	1.5
69.07062	21.0
71.04639	1.6
71.04981	7.3
71.72480	1.4
71.72848	1.1
73.02901	2.5
75.50934	1.3
79.05489	37.6
81.03408	15.0
81.07049	75.0
83.04968	11.7
83.08609	21.1
85.02902	12.6
85.06528	5.5
86.09698	4.8
87.04473	3.2
91.03967	2.1
91.05470	25.3
93.07032	51.1
95.04950	8.1
95.08596	21.5
97.02859	4.5
97.06520	11.1
97.10167	12.0
99.04404	1.6
99.08073	4.5
105.07025	10.7
107.04948	4.4
107.08582	30.2
109.06501	4.5
109.10140	43.0
111.00955	1.3
111.04449	2.2
111.08033	6.6
112.17788	1.1
113.09676	1.4
117.06985	10.1
119.08569	8.6
120.09562	1.3
121.06501	3.3
121.10136	13.8
123.08047	2.1
123.11689	3.1
124.99992	2.9
125.09626	9.3
129.05481	2.4
129.06985	2.0
131.08548	9.0
133.10123	10.1
135.08022	3.3
135.11678	10.8
137.09634	3.5
139.11200	1.4
142.07642	1.1
145.10143	4.1
147.11693	3.0
149.09485	1.2
149.13235	28.7
153.12718	3.3
155.10658	1.7
159.11699	12.0
163.11203	5.8
173.09538	1.4
173.11728	16.9
173.13161	2.0
177.12724	6.6
181.12273	2.1
184.07315	11.0
191.10712	2.9
193.12230	2.0
195.13765	14.3
199.13293	6.2
209.11731	4.8
211.13249	2.5
213.14893	2.0
227.12831	6.7
229.14326	39.0
230.14693	1.4
265.14206	1.6
267.09280	1.8
267.15942	4.6
269.17453	76.6
270.18011	1.5
283.15384	5.2
285.10086	4.8
301.16473	8.0
324.11487	4.1
399.23615	9.8
411.27438	3.5
423.27411	58.8
461.29031	2.3
463.22885	3.3
477.28506	4.1
495.29501	10.6
503.71948	1.3
513.30719	1.5
593.36780	28.9
594.36737	1.6
620.02087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	11.6
55.05508	35.9
57.03435	33.4
57.07056	3.0
57.81703	2.3
61.02903	5.9
63.02346	2.2
65.03922	7.1
67.05499	91.1
69.03423	23.8
69.07062	57.6
71.04660	2.7
71.04982	25.4
71.73016	3.4
73.02905	6.5
79.05486	87.6
81.03407	76.3
81.07047	90.7
82.03743	2.1
83.04974	32.5
83.08602	29.7
85.02898	27.0
85.06526	8.7
86.09686	3.0
91.03960	3.3
91.05467	84.8
91.34639	1.8
92.05807	2.6
93.07034	69.9
95.04400	3.6
95.04953	42.6
95.08594	39.1
97.02880	17.0
97.06519	100.0
97.10126	9.7
99.04460	5.0
99.08092	9.9
103.05441	3.9
105.07018	64.7
107.04924	15.5
107.08585	38.2
109.02811	5.2
109.06496	22.6
109.10139	18.7
111.04427	6.7
111.08067	18.3
113.05989	5.6
115.05428	3.2
115.07552	25.8
117.07003	25.2
119.08575	41.2
120.56963	1.9
121.06479	10.2
121.10136	20.5
123.08054	10.2
123.11726	4.5
125.05945	3.1
125.09628	5.2
127.03889	10.3
127.07591	2.6
128.06216	5.2
129.07002	21.7
131.08556	29.7
133.06514	7.9
133.10112	31.2
135.08057	17.7
135.11690	10.9
136.52567	2.1
137.05954	2.5
137.09590	5.7
139.07544	2.6
141.07007	5.0
142.07808	3.9
143.08524	9.7
145.06505	3.6
145.10089	17.5
147.08023	11.7
147.11656	20.4
149.09581	12.6
149.13271	10.2
151.11115	10.1
153.12756	2.7
155.08553	4.5
157.10117	23.1
159.08028	4.3
159.11659	11.3
161.09596	8.4
163.11105	9.9
165.12718	5.6
169.10072	6.1
171.11662	7.1
173.04442	4.1
173.09509	4.4
173.13315	2.7
175.11150	24.0
177.12784	6.6
181.10118	3.0
183.11691	2.2
184.07275	4.4
185.09662	2.5
185.13284	3.2
189.11214	5.0
189.12733	2.7
191.10620	3.2
193.12219	53.7
195.13795	5.6
197.13249	5.1
199.14906	3.4
201.07619	2.9
201.12775	3.5
211.13258	73.8
215.14500	2.3
217.15887	11.7
217.17625	2.2
221.15364	3.3
227.12805	6.1
227.17944	4.0
229.14250	2.2
231.17581	2.0
233.15459	3.3
242.57162	2.2
245.18918	5.6
249.14865	2.9
253.14197	3.6
255.17421	5.6
267.15875	24.1
269.17432	24.4
270.17859	2.5
273.18460	36.3
274.18707	2.6
275.19995	6.6
283.15402	9.2
285.16937	57.7
291.19522	23.5
347.22202	11.2
349.23779	2.8
365.23157	11.9
383.24182	4.1
389.68381	2.3
437.24573	4.3
447.28046	3.4
459.27423	2.3
461.29016	11.4
465.28522	3.5
477.28531	5.0
479.30066	25.6
484.21945	2.4
495.28827	2.7
505.31073	3.7
517.31281	3.5
539.33508	5.4
557.34631	16.8
575.35681	19.4
593.36560	6.5
723.48633	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	789.2076
Annotation	Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01855	0.8
55.05504	3.2
57.03428	3.8
61.02908	1.3
67.42876	0.6
67.43325	0.6
68.99770	0.7
69.03434	4.3
71.04630	0.8
71.04988	13.4
71.70222	1.4
73.02898	0.9
73.03297	0.6
75.04474	1.4
81.03400	2.3
83.04456	1.1
83.04972	25.3
85.02900	37.3
87.04422	0.8
88.04848	0.6
91.03940	0.8
91.53919	0.7
94.72765	0.7
97.02882	6.4
99.04424	1.4
101.06007	0.9
109.02860	2.8
111.00800	3.0
111.04430	12.5
127.03909	5.1
129.05469	10.7
137.02309	2.0
139.03880	6.0
139.73195	0.7
145.04883	3.0
147.06509	1.3
151.03911	0.8
153.01794	11.6
153.05423	2.0
163.03879	1.2
165.01825	2.7
179.03363	2.0
182.88348	0.6
183.02898	1.5
189.05518	1.7
193.04956	0.7
217.04979	2.2
237.07661	0.9
245.04358	4.3
255.08537	2.2
257.04312	0.8
273.03955	4.5
290.03983	1.2
299.05450	2.4
301.03461	1.7
303.04929	5.3
317.06561	1.1
319.04468	100.0
320.04785	2.6
361.05579	2.0
373.85724	0.7
385.05396	0.9
465.10388	1.4
481.09747	29.9
628.68933	0.8
718.42981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
58.06601	0.4
60.08160	6.5
67.05488	0.4
71.07369	4.4
71.63235	0.2
79.05524	0.3
81.07087	0.3
86.09698	34.1
87.10000	0.5
91.05449	0.3
94.40369	0.3
98.98450	3.6
104.10728	2.7
108.34268	0.2
117.18278	0.2
124.99992	23.7
143.01013	0.5
166.02686	0.4
169.65805	0.3
184.07327	100.0
185.07668	1.0
221.91997	0.2
685.65198	0.2
690.46686	1.0
730.48816	0.3
770.52979	0.4
788.53943	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	788.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.0
55.05504	16.5
57.03439	7.2
57.07070	2.5
59.04984	2.3
59.28153	1.1
61.02924	2.0
65.03932	3.4
67.05497	80.5
69.03425	7.5
69.07066	16.6
71.04986	32.9
73.06528	1.3
79.05480	37.9
81.03413	9.0
81.07048	100.0
82.07374	1.9
83.04966	12.8
83.08610	10.8
85.02888	2.5
85.06528	9.9
86.09709	1.6
91.05471	63.6
93.07037	42.9
95.04967	11.5
95.08598	21.6
97.02888	2.2
97.06517	10.5
97.10148	2.3
98.21438	3.7
99.04446	1.8
99.08104	1.5
103.05480	1.5
105.07022	54.1
107.04943	7.4
107.08578	37.9
109.06496	8.9
109.10147	48.1
109.10896	2.5
110.10512	1.6
111.04459	1.9
111.08051	6.6
113.05940	1.5
117.07008	10.5
119.08572	10.8
121.06493	7.4
121.10136	9.9
123.08064	5.0
123.11694	20.4
125.09644	2.0
125.49321	1.3
127.07552	1.7
128.06241	2.6
129.07011	4.5
131.08563	11.9
133.06502	3.4
133.10117	71.3
135.08040	6.7
135.11679	7.4
136.11865	1.2
137.09587	1.8
143.08575	5.1
145.10100	5.3
147.08052	2.8
147.11687	4.0
149.09619	5.5
149.13263	5.5
151.11168	33.9
157.10071	3.0
159.08052	1.3
159.11653	6.2
161.09578	7.3
163.11165	3.5
165.12721	1.6
169.10040	1.8
169.12213	3.6
171.11681	3.7
175.11179	2.5
177.09169	1.5
177.12724	3.7
179.10661	2.4
183.11639	1.5
183.13780	3.7
184.07321	2.9
187.13298	3.4
189.12666	1.2
215.12747	1.5
225.14874	4.0
229.47578	1.4
243.15846	2.7
245.18962	3.8
251.12791	2.4
253.14337	88.3
254.14684	2.5
257.17508	3.1
263.20071	3.8
269.17450	7.2
273.18475	18.9
291.19510	15.9
301.20071	25.8
309.20627	1.9
347.22171	6.3
365.23175	15.7
421.25964	5.9
447.27106	1.4
453.28467	27.7
465.28476	4.1
479.29895	3.7
497.31238	5.3
511.94183	1.4
515.33649	11.3
533.34723	65.1
534.35278	3.5
541.35010	5.6
547.36273	13.2
559.36176	25.1
560.37024	1.6
573.38147	2.4
591.38794	43.2
592.38910	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	788.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.4
55.05507	10.0
57.03433	6.5
59.05002	0.6
65.03929	1.6
67.05142	1.2
67.05500	21.5
69.03409	2.0
69.07064	13.0
69.68143	4.4
71.04973	2.2
72.75848	0.6
78.38932	0.6
79.05487	18.5
81.03412	34.7
81.07050	26.9
83.04971	3.9
83.08612	9.8
85.02892	1.0
85.06533	1.3
91.05473	29.3
93.07036	18.7
95.01320	3.5
95.04404	1.2
95.04964	14.6
95.08594	13.8
95.14510	0.6
97.02884	1.9
97.06522	10.8
97.10148	2.5
99.04425	0.7
99.08114	0.7
103.05466	1.3
105.07019	35.8
106.07346	0.7
107.04945	8.7
107.08583	11.1
109.06538	3.2
109.10151	4.9
111.04421	1.0
111.08075	2.6
115.05437	1.0
117.07004	7.9
119.07741	1.3
119.08572	20.7
120.08932	0.9
121.06480	3.1
121.10142	6.8
123.04437	1.0
123.08068	2.7
123.11716	1.8
125.09611	1.4
128.06206	0.8
129.06999	5.6
131.08562	13.8
133.06514	1.4
133.10118	21.5
135.08025	2.1
135.11713	4.2
137.09599	1.2
141.07021	1.0
142.07788	1.1
143.08595	2.2
145.06551	0.9
145.10107	7.7
147.08054	1.8
147.11682	9.7
149.09624	5.9
149.13210	2.9
151.11198	2.1
155.08542	0.8
157.10118	5.7
159.08109	0.9
159.11667	5.2
161.09637	1.0
161.13261	2.3
163.11142	2.1
163.14838	0.7
165.09068	0.6
165.12811	1.0
169.10130	1.2
171.11710	1.6
173.13240	1.4
175.11148	4.6
177.12721	2.2
179.14330	5.3
183.11697	0.9
184.07346	1.7
185.13284	1.1
187.11206	2.0
187.14784	1.0
191.09074	0.6
193.12209	6.4
195.13789	0.8
197.13239	1.0
201.16371	0.7
215.14287	0.7
219.17419	7.6
223.13191	1.0
233.15225	0.7
239.18013	1.0
249.14958	0.9
253.14384	2.8
257.19046	1.8
267.15897	40.8
268.16327	1.6
273.18625	1.3
275.20053	23.6
276.20435	1.2
291.19598	2.6
293.21225	1.3
301.16605	0.8
309.16989	0.8
349.23700	15.4
350.24173	1.0
365.23438	0.7
447.27396	0.9
533.34924	0.8
541.35236	100.0
542.35632	6.8
559.36304	3.5
591.35132	1.0
611.47198	0.7
788.48621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.0
55.05511	41.4
57.03424	9.1
57.39778	3.6
61.02921	7.5
65.03933	8.3
67.05498	75.3
69.03418	11.0
69.07072	27.0
71.05004	7.1
73.02880	3.4
79.05491	67.9
81.03400	11.9
81.07048	88.9
83.04982	6.5
83.08604	16.2
85.02883	6.0
85.06493	3.6
91.05473	96.6
93.07034	60.2
95.04943	13.7
95.08597	59.9
97.02848	5.0
97.06522	8.9
97.10161	5.0
99.08039	4.0
103.05462	6.7
105.07016	74.9
107.04953	4.7
107.08591	30.3
107.09228	5.6
109.06507	15.8
109.10120	15.7
111.08076	6.8
114.81865	3.8
115.05447	9.1
116.06223	8.0
117.07004	45.4
119.08572	46.9
121.06486	7.3
121.10134	24.5
123.08060	9.2
128.06190	28.7
129.06999	31.7
130.07784	11.2
131.08563	91.2
133.06454	8.1
133.10103	25.4
135.08015	6.5
135.11670	13.1
137.48709	4.1
141.06955	10.9
142.07780	8.5
143.08548	100.0
145.06500	5.1
145.10097	97.5
147.08014	11.6
147.11668	9.6
149.09584	5.2
149.13142	4.4
155.08554	13.3
157.06580	4.7
157.10095	26.7
159.07983	5.5
159.11710	21.3
161.09593	14.4
162.53751	4.4
167.08549	5.3
169.10139	16.1
171.11684	17.2
173.13269	5.4
175.11168	9.6
177.12752	4.6
181.10097	17.6
183.11690	11.4
185.13190	9.3
188.27347	3.5
189.06247	3.7
195.11707	21.7
199.14847	5.5
209.13312	4.9
213.12660	4.5
227.17944	7.8
237.16342	23.5
245.19009	4.4
255.17387	27.7
271.28653	4.0
273.18457	70.8
305.87439	3.7
329.20996	4.9
335.25793	83.9
347.22128	46.5
500.35638	4.2
607.43488	61.8
625.43945	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
55.05508	27.7
57.03418	10.0
57.07069	2.8
57.70398	2.1
61.02916	6.4
65.03950	3.4
67.05151	3.3
67.05497	67.0
69.03411	4.7
69.07065	16.4
69.37048	5.5
69.37455	21.2
71.04982	3.8
79.05488	49.6
81.03400	5.2
81.07056	66.5
83.04958	6.7
83.08604	16.0
85.02894	4.1
85.06534	3.7
91.03954	3.0
91.05472	68.3
93.07034	61.1
95.04964	12.7
95.08598	43.5
97.02844	5.1
97.06519	5.2
97.10144	6.6
103.05450	3.9
105.07018	54.5
107.04996	3.8
107.08593	26.5
109.06511	5.4
109.10152	16.0
111.08069	4.6
115.05471	5.0
116.06194	2.9
117.07013	36.1
118.07391	3.0
119.08573	34.9
121.06503	5.7
121.10149	13.8
123.08041	7.5
123.11684	2.8
125.09628	3.8
128.06224	16.0
129.07005	17.3
130.07791	8.0
131.08549	56.1
133.06456	8.7
133.10138	19.0
135.08018	3.4
135.11668	11.9
137.09583	3.2
141.06981	8.1
142.07765	4.0
143.08556	59.4
144.09312	2.7
145.06424	2.9
145.10103	57.1
147.08054	8.6
147.11655	8.7
149.09567	3.7
149.13242	7.6
155.08540	7.9
157.10110	15.4
159.08084	3.2
159.11668	16.2
161.09604	9.8
161.13226	3.1
163.11183	2.5
167.08565	4.1
169.10155	11.8
171.08060	2.5
171.11726	16.4
173.09581	2.8
173.13249	4.8
175.11166	6.8
177.12712	4.5
181.10138	6.1
183.11665	8.7
185.13261	5.3
195.11746	14.4
209.13318	2.4
213.12625	3.2
227.17909	4.5
237.16388	13.6
245.19031	4.5
255.17403	15.8
261.22223	2.7
273.18512	51.3
273.21356	1.7
275.45413	2.9
291.19424	3.9
317.24713	2.2
329.21066	5.8
335.25793	100.0
336.25909	3.7
347.22104	24.6
351.05063	2.4
357.31726	2.7
607.43420	30.6
625.44672	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	787.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
56.54514	0.2
60.94538	0.2
62.06713	0.2
63.02377	0.3
65.03927	1.6
67.01885	0.2
67.05509	0.4
68.99410	0.3
68.99780	6.2
69.00146	0.4
71.00019	0.6
77.03917	0.3
79.05489	0.5
79.41485	0.2
79.48048	0.2
81.03400	2.0
82.82880	0.2
83.04972	0.4
85.02849	0.3
87.70918	0.2
89.03904	3.2
91.05473	0.5
93.03383	0.5
95.04946	0.9
97.02873	0.4
99.04447	0.6
101.04934	0.2
105.03370	0.8
105.06990	0.3
107.04938	0.5
109.02861	2.8
111.00789	5.5
111.04433	1.5
115.05396	0.2
117.03362	8.3
119.04938	1.0
121.02856	1.6
122.03669	0.2
123.04415	8.6
127.03898	45.8
128.04297	0.3
131.04938	0.6
133.02838	2.1
134.03598	0.5
135.04422	1.5
137.02344	0.2
137.05920	0.7
139.03880	100.0
140.04228	0.7
141.06926	0.3
145.02829	16.6
145.06445	0.5
147.04375	4.4
149.02315	1.8
149.05966	3.4
151.03886	25.6
153.01790	0.8
153.05457	0.3
155.03375	3.1
155.04752	0.4
157.02800	0.3
157.06479	0.6
158.97401	0.2
159.04373	1.0
161.02271	0.5
161.05986	1.2
163.03882	8.0
165.01772	0.3
165.05524	1.7
167.03362	2.4
169.06480	0.6
171.04417	1.4
173.05951	0.7
175.03888	8.5
177.02028	0.6
177.05447	31.5
178.05737	0.3
179.03371	22.6
179.06931	0.8
181.04942	0.9
183.04378	0.9
185.06012	1.6
186.05499	0.4
187.03902	0.8
189.05450	2.6
191.03372	5.4
193.04970	2.6
195.06435	0.4
197.05962	1.4
199.03894	2.7
201.05421	3.7
203.03355	11.0
205.04919	4.6
211.03825	0.4
213.05453	3.8
215.03343	0.6
215.06973	0.5
217.04951	3.4
219.06483	0.6
221.04379	0.3
223.02238	1.1
225.05444	1.1
227.03406	0.6
229.04916	4.1
231.02805	0.4
231.06488	2.1
233.04451	2.3
235.06013	0.3
241.04938	1.4
243.06441	0.9
245.04430	9.0
247.02335	0.4
247.05891	1.1
250.32716	0.2
251.05402	0.5
253.02687	0.2
253.04860	1.1
254.15613	0.2
255.06549	0.3
257.04419	6.9
259.05960	1.7
260.36230	0.2
261.07498	0.5
263.05478	15.0
269.04431	3.4
270.62402	0.2
271.06021	3.0
273.07419	0.3
275.05438	7.2
277.07083	1.3
279.06415	0.3
281.04456	0.7
287.05460	28.0
288.05804	0.3
289.07022	11.5
295.05945	0.8
297.07480	0.4
299.05453	17.8
300.05850	0.4
301.07037	0.6
303.04892	0.3
305.06537	5.4
311.05334	0.8
313.07047	0.5
317.06512	11.7
323.05508	1.3
331.08005	0.5
341.06281	0.5
361.06897	0.4
365.06589	0.4
389.06372	0.8
395.07571	0.7
407.07596	6.2
425.08627	16.4
435.07263	0.2
437.08560	0.9
441.11902	0.2
443.09689	3.4
449.08420	0.7
455.09506	0.3
467.09607	0.8
483.12778	0.3
506.12003	0.2
575.11285	0.5
593.12451	0.5
619.13086	0.5
628.53229	0.3
715.78906	0.2
782.75238	0.3
819.90808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52045	1.3
70.29787	6.3
74.99695	1.2
85.02869	1.2
127.03928	2.6
138.96753	2.1
139.03864	2.9
141.13977	1.3
151.03841	1.7
153.01857	4.8
164.98357	2.8
180.97610	1.7
182.99387	1.5
184.97287	3.8
192.97810	1.3
206.99449	2.8
208.97108	3.6
226.98164	3.7
229.12219	1.4
233.01910	1.5
234.98833	5.6
243.00304	6.1
245.04573	1.6
252.99879	4.6
261.01263	2.7
270.97110	3.3
271.00284	2.2
283.00684	2.1
286.99225	6.3
287.05484	6.2
288.98203	5.5
289.01968	11.4
294.97473	1.9
295.00876	11.0
298.99173	3.5
307.03455	1.6
312.97937	16.3
313.01633	88.3
314.01807	2.3
324.97943	5.7
325.01840	5.7
330.98346	12.8
331.02740	100.0
342.98572	6.2
343.02850	17.7
348.99149	3.0
354.00238	1.9
354.04321	11.7
355.02838	2.1
357.04288	1.9
358.67642	1.6
360.99429	2.7
361.03586	2.5
365.10522	1.9
367.02698	1.7
373.00156	4.5
373.03842	67.7
385.03754	2.0
390.99997	1.6
397.04202	2.4
403.04788	3.9
415.00446	3.2
415.05630	12.4
426.97726	2.3
433.01825	3.6
433.06516	17.8
444.98523	12.9
445.04953	1.3
463.05902	1.7
475.07089	4.2
595.07135	19.1
596.08289	1.6
787.77478	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.2
55.05507	12.7
56.74864	0.9
57.03433	6.5
57.07058	1.1
61.02617	1.5
61.02922	23.3
65.03931	1.3
67.05502	29.3
67.92046	1.0
69.03425	12.0
69.07061	9.9
70.32668	2.9
70.33051	2.0
71.01338	1.2
71.04974	4.1
73.02911	6.8
79.05488	24.3
81.03418	13.3
81.07052	29.6
83.04988	6.8
83.08615	8.9
85.02905	26.8
85.06525	2.3
91.03954	13.1
91.05477	28.5
93.07037	20.5
95.04964	8.2
95.08601	17.7
97.02885	17.8
97.06515	5.5
97.10164	4.4
99.04440	3.2
101.02371	1.6
103.05472	1.5
105.07030	20.5
107.04946	6.5
107.08585	10.8
109.02869	3.0
109.06497	5.3
109.10142	5.1
111.04417	2.4
111.08078	3.7
115.03933	1.1
115.05476	2.6
116.60882	1.0
117.07021	19.0
118.26350	1.1
119.04979	1.2
119.08572	13.8
121.06507	4.0
121.10162	5.7
121.75716	1.0
123.08051	3.4
123.11670	1.8
125.09637	1.8
126.66465	1.1
127.03920	6.4
128.06207	4.7
129.05505	1.6
129.07007	20.7
131.04961	1.2
131.08562	26.9
133.06483	4.2
133.10133	8.8
135.08031	3.9
135.11674	5.4
137.05864	1.2
137.09601	1.5
141.06938	9.5
142.07761	2.2
143.08549	16.1
145.04955	3.7
145.06447	6.5
145.10114	12.1
147.04393	1.8
147.08003	5.2
147.11661	5.1
149.09595	3.3
149.13232	2.8
154.07718	1.4
155.08556	15.4
157.06526	2.6
157.10103	11.5
159.07980	2.2
159.11652	7.7
161.09590	2.7
163.06017	3.3
163.11150	1.7
165.07013	2.1
167.08542	7.6
168.09270	1.2
169.10100	11.0
171.08061	3.2
171.11716	7.4
173.04471	1.1
173.09616	3.0
173.11815	1.5
173.13274	2.2
175.11229	4.5
177.12717	4.0
178.07787	1.0
179.08534	4.5
180.09340	1.0
181.10086	7.4
182.10957	1.0
183.07991	1.3
183.11684	7.2
185.09541	2.1
185.13271	4.9
187.11195	2.4
187.14841	2.4
189.09225	0.9
191.14261	1.1
193.10120	2.7
193.12218	3.3
195.11696	7.3
197.09673	1.5
197.13293	4.8
199.11169	2.4
199.14769	2.0
201.12761	1.9
203.10594	0.9
203.14386	1.1
205.12167	1.2
207.11676	3.8
209.13300	4.7
211.13156	2.3
211.14836	3.8
213.12708	2.3
215.14299	3.2
221.13298	5.2
223.14911	5.2
225.12810	1.8
225.16376	1.9
229.14204	1.1
235.14824	2.8
237.12747	1.6
237.16335	1.7
239.14479	4.6
241.15839	2.0
243.13718	1.9
253.15892	3.3
255.17401	1.1
257.15283	2.4
259.17062	2.2
267.15903	1.9
269.17468	1.6
271.16904	3.9
315.20874	1.2
323.23724	2.8
333.22095	5.7
341.24698	7.2
351.19046	2.0
351.23181	28.3
369.24283	19.9
387.25293	10.8
388.25644	1.0
413.21555	1.3
425.26740	5.4
433.29181	1.5
443.27939	100.0
444.28061	3.6
461.28979	57.0
462.29388	2.4
485.28613	1.5
503.29916	3.6
551.29620	1.6
587.31696	2.5
605.32928	5.5
623.33960	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	780.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.7
57.80589	0.1
58.06629	0.5
59.07375	0.1
60.08160	6.3
65.66045	0.1
67.05495	0.3
70.95373	0.3
70.95730	0.3
71.07010	0.1
71.07366	3.6
78.09695	0.1
81.07037	0.2
86.09698	31.5
98.98460	3.7
104.10736	2.1
124.99992	20.7
143.01018	0.2
159.70113	0.1
160.07642	0.1
163.78848	0.2
166.02686	0.3
184.07324	100.0
185.07739	0.7
196.69226	0.2
199.86263	0.2
345.90289	0.1
422.17133	0.2
766.33466	0.2
780.55316	1.5
782.38165	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
55.05499	10.2
57.03430	6.4
59.05005	0.7
61.02620	1.4
61.02921	22.3
65.03920	1.8
67.05496	25.5
68.68839	0.8
69.03416	8.7
69.07063	10.5
71.01352	0.8
71.04978	2.8
71.32662	1.2
71.32987	1.1
73.02915	7.2
76.68722	0.7
79.05488	20.0
80.05804	0.7
80.50416	0.7
81.03404	10.5
81.07047	29.8
83.04976	3.1
83.08610	8.6
85.02393	1.4
85.02898	27.4
85.06534	2.3
87.04451	0.8
91.03945	12.6
91.05467	30.0
92.05766	0.9
93.07030	21.6
95.04954	6.2
95.08595	13.9
97.02880	17.2
97.06517	3.6
97.10159	2.8
99.04446	2.2
99.08109	1.0
101.02321	1.2
103.05450	1.1
105.04464	0.8
105.07018	21.2
107.04939	4.7
107.08595	10.6
109.02847	2.8
109.06516	3.6
109.10138	6.5
109.18151	0.7
111.04450	1.2
111.08082	3.6
115.05455	2.7
117.07005	18.3
119.04951	1.5
119.08566	13.3
121.06494	4.3
121.10083	5.6
123.08072	2.5
123.11696	1.1
125.09603	1.9
127.03924	6.2
128.06192	5.3
129.06978	20.2
130.07761	0.9
131.04863	1.5
131.08551	26.4
132.07271	0.8
133.06490	4.8
133.10124	10.8
135.08090	3.5
135.11671	3.4
137.09589	2.3
139.03946	0.9
141.06993	10.7
142.07765	2.4
142.73984	0.8
143.08540	19.0
145.04950	5.7
145.06459	5.2
145.10101	12.3
147.08058	4.3
147.11656	5.2
149.09581	3.9
151.11142	1.1
153.06982	1.7
154.07780	1.8
155.08540	14.8
156.09366	1.2
157.06467	2.2
157.10104	11.7
159.08055	4.0
159.11687	8.3
161.09624	2.7
161.13252	1.3
163.06035	2.8
163.11209	1.1
165.07024	2.9
166.07755	2.2
167.08546	7.7
168.09265	1.0
169.10120	11.3
171.08061	3.3
171.11690	7.4
173.04431	1.7
173.09647	2.7
173.13274	2.8
175.11180	2.9
177.12782	2.8
178.07777	1.0
179.08542	3.0
180.09175	0.8
181.10104	7.7
182.10834	1.2
183.11653	6.0
185.09621	3.4
185.11809	0.9
185.13199	4.1
187.11086	1.4
187.14815	1.8
189.12737	1.4
193.10146	4.2
193.12146	0.9
194.10818	0.9
195.11691	8.2
197.09689	2.2
197.13217	5.0
199.11159	2.2
199.13071	0.9
199.14804	1.8
201.12704	1.6
201.16286	1.2
203.14406	1.6
205.10199	1.2
207.11700	3.4
209.13309	3.8
211.11166	2.3
211.13199	1.8
211.14873	2.6
213.12732	2.3
213.16460	0.9
215.14287	3.3
217.15904	0.9
219.11726	1.4
219.13878	0.9
220.12480	0.8
221.13263	6.5
222.13972	0.9
223.14824	5.2
225.12773	2.1
225.16475	1.9
227.14438	1.8
229.15961	1.3
231.13797	1.1
231.17455	0.9
233.13197	1.8
233.15302	1.1
235.14804	3.5
237.12761	1.0
237.16418	1.7
238.61852	0.8
239.14349	3.6
239.18098	0.9
241.15974	1.7
243.13741	1.2
245.15511	1.4
253.15823	2.8
257.15396	2.1
267.15802	1.7
269.15140	1.0
269.17609	1.2
271.16953	3.1
275.16461	0.9
297.18716	0.9
303.19626	1.2
305.22647	1.3
309.22079	0.9
315.21109	1.4
323.23727	3.0
333.22110	9.5
341.24741	5.2
351.23141	29.3
352.23303	1.1
369.24231	21.6
370.24796	1.2
387.25287	14.3
389.24835	1.0
407.26285	1.2
415.28403	1.0
425.26868	8.3
433.29529	1.8
443.27914	100.0
444.28165	3.7
461.28940	65.5
462.29367	2.6
479.30234	0.9
485.29062	2.5
503.30133	2.1
551.29907	1.7
569.31207	1.2
587.32098	2.4
605.33313	2.2
623.34174	3.7
785.39276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.72495	2.9
86.09720	2.9
184.07324	10.2
306.06281	2.1
420.92838	2.1
650.10541	2.2
742.50836	2.7
761.41425	2.6
779.43353	100.0
780.43909	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	779.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.4
57.03429	2.0
61.02929	7.6
62.04268	0.4
67.05499	6.0
69.03428	3.5
69.07065	1.1
70.76395	1.5
71.05003	1.4
73.02915	4.0
79.05492	4.2
79.12212	0.5
81.03422	3.7
81.07051	5.7
83.08620	1.3
85.02896	5.9
85.91112	0.4
86.09702	1.4
87.04447	0.7
91.03957	3.4
91.05476	3.3
93.07044	5.0
95.04977	1.2
95.08613	3.8
97.02896	5.0
97.06573	0.6
99.04452	1.1
101.02381	2.0
105.07043	2.2
107.08626	2.0
109.02916	1.0
109.06512	0.6
109.10173	1.3
111.08111	0.5
117.07038	0.6
119.08622	1.1
121.10133	2.4
125.00011	0.8
127.03938	1.3
131.08575	1.2
133.10165	1.4
135.11656	0.8
145.10176	0.5
145.28755	0.5
147.11705	0.6
149.09615	1.2
157.10147	0.9
164.12773	0.4
175.11256	0.5
184.07402	3.7
185.07753	0.5
193.12315	0.5
213.28441	0.5
225.14925	0.5
243.08330	2.3
269.75653	0.5
280.31104	0.5
283.15158	5.4
335.25970	1.0
501.23056	8.6
519.29272	8.1
779.45465	100.0
780.46118	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	779.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.05507	1.7
57.03427	1.8
61.02918	4.8
67.05505	4.6
69.03413	2.8
69.07056	1.9
71.01350	0.8
71.04981	0.8
71.72253	0.5
73.02911	3.7
79.05494	4.2
81.03404	5.3
81.07045	5.7
83.04974	0.8
83.08618	1.7
85.02896	6.9
86.09708	1.7
91.03963	3.0
91.05486	3.8
92.67131	0.4
93.07030	3.0
95.04961	2.9
95.08609	2.5
97.02880	4.4
97.06520	1.0
99.04472	1.0
101.02383	2.2
103.03926	0.6
105.07019	2.8
107.04937	0.7
107.08601	1.5
109.02885	1.1
109.06492	0.6
109.10150	0.7
111.08042	0.5
117.07027	0.5
119.08561	1.9
121.06443	0.5
121.10157	1.7
123.43990	0.5
124.99969	0.7
127.03905	0.9
129.07040	1.2
131.08583	1.7
133.10152	1.8
135.11679	0.8
147.11717	1.5
149.09641	0.6
149.13239	0.6
157.10120	0.9
175.11189	1.2
184.07333	4.2
193.12328	1.8
203.05292	0.6
211.13356	0.7
243.08389	3.7
251.12740	0.9
269.12433	0.9
327.43283	0.5
333.20444	1.7
439.19464	1.3
453.20963	1.5
467.14932	0.4
469.20413	12.2
551.27991	3.1
681.34546	1.8
727.59784	0.5
779.41797	100.0
780.42365	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05507	1.6
57.03436	1.7
60.08163	0.5
61.02925	4.6
67.05504	4.9
69.03433	2.4
69.07077	2.0
71.01348	0.7
71.05000	0.7
73.02918	4.1
79.05495	5.0
81.03410	4.0
81.07053	5.1
83.04983	0.9
83.08618	1.0
85.02902	5.5
86.09713	1.2
91.03960	2.9
91.05462	4.1
93.07046	3.3
95.04945	2.2
95.08611	2.2
97.02887	4.9
97.06551	1.3
99.04490	0.7
101.02363	2.3
105.07045	3.1
107.04929	0.7
107.08616	1.9
109.06504	0.7
109.10136	0.9
109.34587	0.4
111.04449	0.5
111.08054	0.6
117.07044	0.6
119.08588	2.2
121.06547	0.5
121.10148	1.3
123.11761	0.5
125.00021	1.1
127.03939	1.5
129.07004	1.2
131.08572	1.3
133.10132	1.9
147.11679	1.1
149.09663	0.4
157.10104	0.6
159.11743	0.6
175.11330	0.5
184.07324	6.0
185.04239	0.6
185.07648	0.7
193.12299	1.2
203.05331	0.5
243.08377	3.1
251.12654	0.8
333.20438	1.7
439.19431	1.0
453.21219	1.5
469.20490	7.0
488.07693	0.4
551.28174	7.4
716.19080	0.6
779.41833	100.0
780.42084	7.7
809.91205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
56.65525	0.4
56.77620	0.4
57.20964	0.4
65.03928	1.9
67.01839	0.5
67.05492	0.6
67.48288	0.4
68.99410	0.6
68.99782	9.1
71.29424	1.0
79.01837	1.5
79.05465	0.9
81.03415	2.9
85.02885	0.5
87.37524	0.4
91.05480	0.8
93.03397	0.9
94.07256	0.4
94.39719	0.4
95.04956	1.4
97.02874	2.1
99.04459	0.7
103.05405	0.9
103.66279	0.5
103.85957	0.4
105.03378	1.4
107.04935	1.0
109.02872	4.4
109.67857	0.4
111.00793	7.5
111.04441	1.9
115.05463	1.0
117.06993	0.5
119.04936	1.6
121.02872	2.6
121.06509	0.6
123.04422	12.0
124.04794	0.4
125.02355	4.4
127.03906	56.2
128.04245	1.0
131.04910	0.9
133.02835	2.5
133.06493	0.7
135.04387	2.4
137.02289	0.9
139.03889	100.0
140.04219	2.9
141.01820	0.5
143.03389	5.9
145.02856	0.7
145.06459	1.0
147.04396	6.3
149.02347	3.5
149.06018	1.1
150.03123	1.5
151.03893	31.4
152.04240	0.7
153.01814	17.1
153.05379	0.6
155.03394	11.7
155.04698	0.8
157.02873	0.6
157.06491	1.2
159.04420	2.1
161.02376	0.7
161.05957	1.9
162.03073	0.4
163.03888	13.9
164.04431	0.6
165.01845	1.2
165.05475	1.9
167.03392	6.2
169.01389	2.4
169.06480	0.7
171.04387	1.6
173.02301	0.5
173.06000	1.5
174.42429	0.5
175.03896	9.8
176.04225	0.5
177.01836	1.2
177.05478	5.0
179.03383	35.2
180.03784	1.0
181.04933	4.2
183.02866	0.5
183.04376	0.7
183.86517	0.4
185.06030	1.9
187.03967	3.3
189.05429	4.0
191.03398	7.8
193.04977	3.1
195.02841	3.0
197.06044	1.0
199.03819	3.5
201.05444	4.3
203.03372	12.6
204.03929	0.7
205.04945	4.8
207.02917	1.2
209.04314	0.6
211.03952	0.7
213.05443	5.6
215.03415	4.2
215.06873	0.8
217.04976	5.0
219.02908	1.7
219.06520	0.9
221.04408	1.1
223.02338	1.3
225.05438	1.4
227.03395	1.4
227.06958	0.6
229.04961	5.5
231.02930	1.3
231.06566	2.0
233.04451	3.3
235.02315	0.5
235.06023	0.5
237.05539	0.6
239.03470	0.9
241.04918	3.0
243.02914	1.3
243.06500	1.2
245.04462	10.9
247.06013	1.3
249.03909	1.4
251.05583	0.6
253.04990	1.2
257.04422	10.8
257.06995	0.9
258.04956	0.9
259.06033	3.3
260.05887	0.5
261.03934	6.7
263.05502	15.0
269.04373	3.5
271.05991	3.3
273.03851	3.3
274.04544	1.3
275.05472	9.9
277.07126	1.1
279.04968	5.1
281.04480	0.8
283.05902	0.9
285.03943	3.7
286.04367	1.0
287.05463	31.0
288.05728	1.0
289.03619	0.9
289.07013	6.7
291.04840	3.6
295.06018	1.0
297.04013	1.3
299.05469	17.0
300.05887	0.7
301.07037	0.9
302.04080	0.9
303.04971	13.6
304.05347	1.2
305.06537	8.1
307.08194	0.7
311.05368	1.1
313.06940	0.6
315.04929	5.2
317.06506	13.3
321.06204	1.7
323.05435	1.4
327.05063	0.8
333.05957	2.9
361.07074	1.3
377.06488	0.6
379.07806	1.1
395.07693	0.8
397.09064	3.0
405.05881	1.3
407.07574	3.8
409.09399	0.6
423.07040	8.0
424.07449	0.5
425.08600	11.6
426.09131	0.8
435.07297	0.8
437.08786	0.9
439.06613	0.6
441.08154	10.2
443.09778	1.9
443.73956	0.6
453.07935	1.6
459.09460	2.9
461.54840	0.6
465.07959	0.6
467.09564	0.7
573.10126	1.0
593.09290	0.8
604.56055	0.5
611.10260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5369
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05022	0.8
58.06602	0.3
60.08157	6.7
67.05473	0.3
70.06590	0.3
71.07362	2.8
71.72794	0.4
81.07010	0.3
86.09698	30.0
91.05459	0.3
96.90791	0.2
98.98455	2.3
100.25531	0.3
104.10721	2.0
124.99990	19.4
184.07324	100.0
185.07608	0.8
228.38765	0.3
257.85773	0.3
360.41684	0.3
409.68637	0.3
588.83826	0.3
691.70355	0.3
733.87695	0.3
778.52930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05502	2.2
57.03432	4.1
61.02919	4.7
67.05502	6.7
69.03424	3.8
69.07062	2.9
69.65861	4.9
71.01339	0.8
71.04976	1.5
73.02901	3.6
79.05491	5.0
81.03408	6.7
81.07056	6.1
82.47705	0.6
83.04974	2.4
83.08618	2.6
85.02901	8.0
86.09724	0.9
87.04479	0.7
91.03953	3.3
91.05467	8.4
93.07034	4.8
95.04966	3.3
95.08603	4.2
97.02891	5.5
97.06502	0.8
98.21415	1.5
101.02376	2.0
103.03946	0.9
105.06980	3.9
107.04963	1.9
107.08611	2.7
109.06525	1.5
109.10176	1.6
109.59528	0.6
111.08070	0.9
117.07043	1.1
119.08582	3.7
121.06484	0.7
121.10152	1.5
123.08093	1.1
123.11757	0.9
127.03921	1.4
129.05518	0.6
129.07001	1.9
131.04892	0.9
131.08574	2.1
133.10107	3.4
135.11743	0.9
137.09589	0.8
145.10164	0.9
147.11705	2.1
149.09604	1.4
157.10156	1.5
165.12730	0.6
167.47600	0.6
175.11169	1.7
179.00816	0.6
184.07394	2.8
185.04189	0.8
193.12259	2.8
211.13316	1.4
243.08502	2.6
251.12558	0.9
267.15991	1.6
269.17609	0.8
285.17166	1.0
301.09070	1.1
313.17682	1.3
315.42694	0.6
331.18842	2.7
343.21039	0.7
383.59735	0.7
469.20456	15.5
531.25757	1.3
549.27118	2.9
562.38550	0.9
578.65857	0.7
679.32843	2.7
759.39105	13.0
777.40149	100.0
778.40326	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	777.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05500	3.2
57.03426	3.6
61.02924	6.6
61.95605	0.8
67.05501	10.6
69.03432	4.1
69.07065	3.7
70.91211	2.6
71.01375	0.8
71.04973	2.3
73.02910	3.4
79.05502	6.5
81.03409	5.9
81.07053	9.6
82.07397	1.3
83.04975	2.5
83.08088	0.7
83.08609	2.9
85.02908	6.8
86.09715	1.1
89.72173	0.8
91.03954	3.4
91.05482	8.9
93.07042	6.5
95.04967	3.2
95.08592	6.2
95.54939	0.9
97.02898	3.8
97.06521	1.5
98.97624	0.8
99.04481	1.3
101.02396	1.6
105.07035	5.6
107.04961	0.9
107.08574	4.1
109.02900	0.8
109.06514	1.9
109.10164	3.3
110.10505	0.9
111.08096	1.0
117.07026	2.4
119.08579	3.5
121.06481	1.1
121.10134	2.1
123.08107	1.0
124.99997	2.0
127.03887	1.0
128.06253	1.0
129.07008	2.5
131.04984	1.1
131.08589	2.3
133.10144	3.7
135.11725	1.2
137.09634	1.5
147.11714	2.7
149.09671	1.7
151.11162	1.4
157.10071	1.2
159.11687	1.6
175.11246	1.0
184.07333	6.6
185.04337	0.9
193.12311	1.3
195.13887	0.9
227.12738	0.9
243.08534	3.0
251.12550	1.9
268.16251	1.2
269.17572	1.0
275.20193	1.1
331.18787	1.9
342.58914	0.9
423.27988	1.0
450.29196	1.1
451.19388	2.6
464.30923	1.1
469.20441	8.0
481.31400	1.7
531.25775	2.0
541.22729	1.4
549.26501	4.8
562.39209	1.1
679.32990	2.9
759.39282	10.4
777.40222	100.0
778.40717	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	776.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81562	1.8
55.01852	5.7
55.05275	2.4
55.05509	23.8
55.71571	1.9
57.03430	13.2
57.07059	3.6
59.04967	2.4
60.08147	4.0
61.02919	2.1
65.03927	2.7
67.05499	100.0
69.03411	4.7
69.07056	25.3
69.82860	1.7
71.04974	6.9
79.05486	46.5
81.03413	8.0
81.07047	95.3
83.04980	11.2
83.08611	23.0
85.02886	4.9
85.06538	6.6
86.09702	20.5
91.05473	40.2
93.07034	62.4
95.04985	8.6
95.08598	29.7
97.06519	11.8
97.10163	6.5
99.08076	3.3
105.07011	22.7
107.04957	5.8
107.08587	39.1
109.06509	5.9
109.10145	45.0
111.04446	3.8
111.08077	9.8
117.07019	10.4
118.07722	1.8
119.08576	19.6
121.06491	3.6
121.10121	21.9
123.08060	4.0
123.11724	3.9
125.00005	11.5
125.09634	6.3
125.97662	1.7
129.06992	3.9
131.08595	12.7
133.10121	20.2
135.08061	6.2
135.11685	11.0
137.09621	2.9
143.08607	1.9
145.10118	7.1
147.04388	7.4
147.11678	8.7
149.09612	5.3
149.13257	28.2
151.11227	3.9
153.05467	1.9
155.08339	2.0
155.10655	2.1
157.04771	1.8
157.10086	5.7
159.11696	15.6
161.13200	3.5
163.11113	1.8
173.09789	1.8
173.11745	10.3
177.12738	7.8
184.07339	62.0
185.13202	1.9
189.11256	2.8
195.13760	11.7
213.14836	3.2
227.12816	7.9
229.14325	18.5
233.18773	2.4
251.16423	2.8
257.19055	5.4
267.15866	2.6
269.10495	3.3
269.17438	65.2
275.20016	26.6
287.11636	3.5
334.57092	2.0
349.23636	16.4
365.02051	2.0
367.24521	3.0
377.01608	2.7
423.27396	88.2
424.27902	4.0
438.19836	3.0
439.27121	3.0
445.29568	4.2
463.30515	60.8
503.33319	6.9
525.35242	3.6
543.36792	49.1
561.37927	22.6
567.31500	3.2
607.34747	2.4
717.10773	2.2
776.44031	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	775.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.7
62.36278	0.6
63.07065	0.6
63.77659	0.6
65.03947	3.6
67.05493	2.0
68.99781	0.7
70.16158	2.8
75.04459	3.2
78.04704	1.3
79.05476	2.1
81.03369	2.2
85.02892	4.9
89.03884	1.2
89.06043	0.8
91.05481	8.5
93.03413	5.8
93.07018	2.0
94.04188	1.1
94.76009	0.7
95.04977	4.3
97.06524	0.9
103.05462	25.3
105.03369	0.8
105.07035	4.2
106.04159	12.2
107.04969	6.4
108.02030	0.8
109.06491	1.7
109.44776	0.8
110.03652	1.4
111.04437	1.8
115.05444	4.5
117.03346	0.7
117.07014	3.9
118.04169	4.3
119.04913	1.9
121.06495	13.6
122.03625	5.0
123.04395	1.9
124.05225	0.9
125.06001	6.4
128.86220	0.7
129.07014	1.7
130.04102	1.3
131.04919	32.4
132.05638	1.4
133.02792	2.0
133.06467	5.5
134.03606	2.2
135.04362	2.0
135.08025	2.3
137.05963	59.6
139.03867	1.8
139.07533	0.7
141.05432	2.3
142.02620	0.8
143.04861	1.6
144.05698	1.1
145.02745	1.6
145.06503	6.0
146.03622	1.2
147.04329	1.7
147.07988	1.5
148.05177	11.8
149.05966	25.6
151.03897	81.8
151.04965	4.1
151.07477	2.0
152.04597	0.9
153.05431	2.7
153.09081	6.2
157.06453	1.7
159.04445	1.3
159.08072	0.8
160.05186	2.1
161.05975	3.1
162.01242	0.9
162.06731	0.7
163.03883	2.6
163.07524	25.3
165.05426	2.7
166.06209	0.8
167.07027	12.9
171.04369	1.1
173.06024	4.1
175.03773	0.8
175.07498	5.1
176.04666	2.9
177.03214	0.8
177.03911	1.2
177.05457	17.8
179.01564	1.4
179.04930	0.8
179.06999	1.8
181.03343	1.1
181.04953	20.9
181.06490	1.5
181.08556	13.4
187.07515	3.1
189.05472	2.2
189.09149	2.3
190.00827	1.0
190.06305	1.0
191.07011	100.0
192.07739	1.5
193.05006	1.0
193.08626	2.4
195.06522	1.7
203.07014	3.7
205.06580	1.6
205.08549	3.4
206.07011	0.8
207.08809	2.3
209.08075	78.3
210.08688	1.4
217.08624	1.2
219.08090	1.5
219.10135	1.9
221.07977	1.1
223.04213	12.3
223.09601	1.1
226.34688	0.8
231.06404	1.0
233.05988	1.2
233.08058	3.8
235.07573	0.9
235.09604	3.7
237.09058	1.6
245.08121	0.8
249.08997	1.1
251.07106	0.9
263.06827	1.3
263.09183	13.5
265.08545	2.0
266.08920	0.8
267.10141	1.5
277.05606	0.8
277.08505	1.5
287.05417	1.2
293.08185	1.0
295.09686	1.9
297.11017	1.4
309.11160	1.3
325.10510	2.0
327.12411	3.8
329.13770	1.3
331.04596	1.0
337.10617	0.9
339.12253	0.9
351.12323	2.1
355.11789	7.2
357.13116	2.2
359.14828	1.6
369.13861	3.4
387.14365	25.1
479.71115	0.8
578.97485	0.7
605.57776	0.8
695.18811	0.9
784.01947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.2
55.05511	13.1
57.03437	12.3
57.07061	1.8
65.03928	2.3
67.05501	46.9
69.03429	2.6
69.07061	11.6
70.09103	5.5
71.04984	2.7
71.87332	0.9
79.05032	2.0
79.05486	33.7
81.03410	64.7
81.07048	44.5
83.04961	2.8
83.08612	15.8
85.02866	1.2
85.06528	3.0
90.50127	0.8
91.04929	1.8
91.05474	23.8
93.07036	36.2
95.04409	1.7
95.04964	23.1
95.08595	33.3
95.09203	2.0
97.02877	2.3
97.06525	4.6
97.10162	6.2
97.60880	1.1
98.20767	1.2
99.08121	1.7
105.06339	1.6
105.07024	20.8
107.04940	4.3
107.08588	22.9
109.06503	3.4
109.10148	15.3
111.04446	1.5
111.08056	3.9
113.05968	1.1
115.05427	1.0
117.06998	6.0
119.04924	1.7
119.08567	18.5
121.06468	3.9
121.10135	17.4
123.04408	1.9
123.08039	2.5
123.11671	5.7
125.09592	4.2
129.07004	8.0
131.08553	15.8
133.06491	3.0
133.10120	12.1
135.08049	1.3
135.11682	12.9
137.09602	2.6
137.13206	2.3
140.13565	0.9
142.07794	1.7
143.08527	1.7
145.10101	8.2
147.08041	2.6
147.11656	10.2
149.09589	4.6
149.13266	6.2
151.11296	1.0
157.10118	7.6
159.11630	4.5
161.13251	4.3
163.11163	1.2
163.14822	2.9
165.12712	1.7
171.11618	1.7
173.11877	1.1
173.13249	4.8
175.11176	7.2
175.14827	1.9
177.16422	1.2
183.11804	1.6
185.13165	2.2
187.11162	1.7
187.14841	2.4
189.11229	3.2
193.10580	1.4
193.12234	16.8
197.13203	1.6
199.14725	1.2
201.16415	1.2
211.13170	2.1
227.12717	8.4
233.15318	1.1
235.13254	2.0
243.21155	6.7
247.16760	1.1
249.14896	1.1
259.13309	2.2
261.22125	21.1
262.22470	1.1
264.97125	1.0
267.15891	98.8
268.16260	3.3
275.60910	0.9
279.23215	1.7
285.22058	1.1
287.20059	1.1
289.21631	1.0
299.23584	1.6
301.14478	1.6
301.25189	7.2
309.16904	2.4
317.24661	4.5
335.25778	100.0
336.26102	4.2
346.04355	1.0
347.26086	1.3
357.27567	1.1
421.25613	2.0
435.27313	2.2
435.32535	5.7
449.28864	1.9
453.33768	8.5
471.34659	3.8
487.98563	1.0
508.75482	1.1
509.35703	2.6
527.37280	65.8
527.81427	1.1
528.37671	5.5
540.73010	1.0
545.38361	43.1
546.38519	3.6
559.39642	2.0
569.38489	5.3
590.52301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.7
55.05255	1.3
55.05504	15.9
57.03431	15.5
57.07048	1.1
58.11730	0.9
65.03929	2.5
67.05495	53.3
69.03404	4.4
69.06759	1.0
69.07061	12.3
69.34368	0.9
70.65548	2.4
70.65961	1.4
71.04974	3.4
79.05489	40.1
81.03410	83.0
81.07050	51.9
83.04981	6.1
83.08609	21.8
85.02894	1.2
85.06542	2.3
86.09654	1.1
91.05470	29.5
93.07037	41.2
95.04959	24.7
95.08597	36.5
95.09212	1.7
97.02884	3.2
97.06501	5.3
97.10164	7.5
99.08080	1.0
105.07021	24.7
106.23973	1.2
107.04948	7.1
107.08588	25.5
109.06505	5.4
109.10151	18.9
111.04401	1.4
111.08064	7.8
115.05465	1.5
117.06989	8.3
119.04986	1.4
119.07748	2.0
119.08567	22.5
121.06477	2.9
121.10116	20.9
123.04413	1.2
123.08052	3.7
123.11695	6.7
125.09595	3.8
129.06996	9.2
131.08557	17.5
133.06496	3.0
133.10127	12.5
135.08020	2.2
135.11664	12.1
137.09567	2.6
137.13258	2.0
141.06883	1.1
142.07724	2.6
143.08563	2.1
145.10120	9.9
147.04495	1.5
147.08014	2.5
147.11685	14.2
149.09612	5.4
149.13237	7.2
155.08481	1.2
157.10121	10.6
159.11702	7.5
161.13225	5.5
163.11185	3.1
163.14809	3.9
165.12697	1.8
169.10152	1.6
171.11632	2.5
173.09653	1.0
173.13274	5.8
175.11177	10.9
175.14792	2.6
177.16307	1.1
183.11577	1.3
184.07323	1.8
185.13246	2.6
187.13217	1.2
187.14821	3.1
189.11247	4.8
189.16342	1.1
193.12228	21.4
197.13231	1.5
197.15257	1.1
201.16335	1.9
211.13199	2.3
223.13287	1.1
227.12784	9.6
233.22508	1.0
243.21167	5.7
247.16882	1.0
249.14835	1.6
261.22137	16.3
267.15897	100.0
268.16220	4.0
279.23053	1.6
285.22159	1.6
301.25336	5.4
309.17041	2.4
317.24731	3.8
335.25772	76.1
336.26056	3.9
353.72467	1.0
356.32504	1.0
357.27832	1.4
363.25595	1.4
421.25607	2.2
435.27328	1.4
435.32639	4.7
439.77890	1.2
453.33701	9.0
471.34518	3.7
527.37286	53.4
528.37671	5.8
545.38336	46.5
546.38702	3.3
559.39746	1.2
569.38190	2.5
577.40814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.6
55.05285	2.1
55.05511	20.2
57.03438	11.4
57.07060	2.0
61.02915	2.0
65.03935	1.6
66.54366	1.5
67.05501	62.3
68.05833	1.7
69.03416	5.4
69.07059	27.3
71.04976	4.9
75.97078	1.3
77.81526	1.4
79.05486	42.7
81.03413	16.9
81.07052	100.0
82.07375	2.5
83.04974	12.6
83.08613	14.4
85.02900	4.9
85.06542	4.6
86.09679	1.8
91.05478	46.6
92.05806	3.4
93.07032	42.3
95.04969	11.8
95.08596	30.4
97.02894	3.0
97.06532	11.0
97.10164	2.1
99.04462	1.7
99.08091	4.8
100.88760	1.5
103.05428	1.4
105.07027	43.7
106.07348	1.9
107.04945	6.0
107.08593	31.1
109.02908	2.5
109.06515	8.2
109.10125	10.8
111.04396	1.9
111.08105	5.0
111.90481	1.6
117.07014	9.1
119.08572	32.8
120.08897	1.9
121.06513	4.2
121.10125	27.0
123.08046	5.9
123.11692	19.3
124.99982	1.9
125.09613	2.3
127.03939	3.6
127.07549	2.3
129.07014	4.9
131.08539	17.0
133.06517	1.9
133.10110	19.9
134.10449	2.2
135.08061	3.7
135.11699	10.0
137.09659	3.0
142.07855	1.6
143.08580	3.3
145.06429	1.8
145.10094	10.7
147.07980	2.1
147.11681	47.9
149.09587	10.0
149.13278	8.2
151.11183	5.1
157.10126	6.7
158.99583	1.9
159.11719	9.3
161.09550	1.9
161.13283	3.4
163.11183	5.3
163.14792	2.0
165.12755	18.3
171.11690	2.7
173.13242	3.5
175.11189	6.2
177.12724	5.9
179.14235	1.7
183.13840	1.8
184.07346	7.5
189.11201	2.4
193.12247	6.4
194.12669	1.6
195.13823	2.7
211.13249	4.4
212.13704	1.9
223.13248	2.2
227.12866	3.1
229.14336	5.3
229.49879	1.8
253.14423	4.9
255.15797	6.7
257.19022	7.0
267.15900	62.0
268.16199	2.6
269.17480	26.8
269.20132	2.5
273.18549	3.2
275.20068	19.7
285.16925	52.7
286.17310	3.5
291.19519	6.2
293.20853	3.1
309.20654	2.8
321.04996	3.8
331.22775	2.3
333.23865	1.7
349.23666	19.9
365.23199	3.8
367.24622	2.8
405.09567	1.9
426.29263	1.7
439.26517	2.0
455.10675	2.1
461.29147	2.5
465.28549	16.2
477.28665	2.3
479.29993	64.9
480.30026	3.8
519.33087	4.3
541.35101	4.6
559.36279	27.6
575.35535	2.0
577.37018	11.0
623.34509	1.8
784.05780	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	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.8
55.05503	26.5
57.03432	15.8
57.07058	3.1
61.02917	5.0
65.03929	5.0
67.05499	86.9
69.03426	14.3
69.07058	35.5
70.84621	3.8
71.01331	4.2
71.04987	11.2
73.02904	2.7
77.03928	1.5
79.05487	55.6
81.03407	17.5
81.07050	100.0
83.04974	12.2
83.08611	18.7
85.02893	8.1
85.06533	7.5
91.03952	2.0
91.05473	53.1
92.29295	1.2
93.07036	65.4
94.07350	1.1
95.04958	16.9
95.08597	36.9
97.02877	11.4
97.06523	16.4
97.10152	6.1
99.04462	3.0
99.08075	5.2
105.07014	32.6
107.04938	6.6
107.08585	38.2
109.02882	2.6
109.06512	5.3
109.10144	18.5
111.04431	2.6
111.08055	9.3
115.05501	1.5
116.04688	1.6
117.06998	13.3
119.08562	19.0
121.06495	4.7
121.10123	15.9
123.04420	1.2
123.08057	9.7
123.11673	7.3
125.09594	4.3
127.03913	5.0
129.05452	4.3
129.06992	5.0
130.07735	1.3
131.08545	17.3
133.06485	1.5
133.10112	25.9
135.08086	6.0
135.11685	20.1
137.09605	10.0
139.11121	1.9
141.07024	1.8
142.07732	1.6
143.08580	3.4
145.10103	8.9
147.07997	1.6
147.11650	9.0
149.09610	13.0
149.13229	15.2
151.11169	5.0
152.23004	1.3
153.12721	1.3
155.08452	1.2
157.08681	1.1
157.10080	4.3
159.11684	12.4
161.09593	3.5
161.13255	2.6
163.11168	5.3
165.12787	1.7
171.11662	2.2
173.04454	3.6
173.11722	4.5
173.13254	3.1
175.11183	3.2
177.12753	5.2
179.14325	2.0
181.12207	1.5
185.13171	1.7
187.13309	2.9
189.11191	1.6
189.12718	1.5
193.12331	1.6
195.13791	18.8
199.13138	1.2
211.13284	1.5
213.14870	1.4
223.13322	1.3
227.12758	1.9
227.17906	1.3
229.14355	4.9
229.19420	1.7
243.15849	7.1
247.20544	1.9
250.48848	1.1
253.14359	2.3
254.15067	1.6
255.15858	10.1
257.19135	2.0
259.73245	1.1
267.13379	1.2
267.15787	8.1
269.17462	51.0
270.17862	2.4
273.18539	3.7
275.20117	10.7
278.42380	1.2
285.16901	5.8
291.19482	5.6
293.21063	1.9
349.23721	16.3
365.23038	5.2
373.18597	1.4
413.21472	1.1
420.28665	5.5
423.27344	13.6
437.29010	12.3
447.31064	3.2
449.29092	6.4
461.28574	2.2
462.29935	1.5
463.30435	2.6
465.28461	2.5
479.29791	3.4
543.36804	20.5
559.36108	2.4
561.37677	2.8
577.37085	2.0
627.86853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.6
55.05507	31.1
55.40979	1.5
57.03166	2.0
57.03433	26.5
57.07057	2.5
59.05001	1.8
59.67428	1.3
61.02915	2.8
63.37717	1.4
65.03936	3.8
67.05500	71.7
69.03429	11.4
69.07060	33.0
70.84152	4.6
71.04984	9.7
74.91071	1.3
79.05487	73.8
81.03410	84.5
81.07050	100.0
81.15064	1.4
83.04974	26.1
83.08607	36.1
85.02902	35.1
85.06532	5.7
91.05474	78.5
92.05824	1.6
93.07038	68.1
95.04958	42.2
95.08601	36.7
97.02905	7.5
97.06531	18.6
97.10162	7.8
99.08105	4.4
103.05430	1.8
105.04496	1.6
105.07022	54.2
107.04942	16.7
107.08583	34.6
109.02863	2.2
109.06497	13.8
109.10147	14.3
109.59706	1.3
111.04430	3.8
111.08068	14.2
113.05988	3.0
115.05482	2.4
117.07014	16.8
119.08575	39.2
121.06496	6.5
121.10145	24.5
123.08081	6.3
123.11694	7.7
125.09627	6.0
127.03899	3.4
128.06242	1.8
129.05492	1.7
129.07010	17.3
131.08559	30.1
132.47496	1.5
133.06485	5.2
133.09084	1.8
133.10109	33.1
135.08028	6.2
135.11676	17.2
137.09608	4.4
142.07767	3.3
143.08583	3.9
145.10135	13.2
147.08072	5.5
147.11671	25.8
149.09602	19.6
149.13281	13.9
151.11203	3.3
155.08562	2.5
157.10110	20.4
159.11687	14.5
161.13301	2.1
163.11205	9.2
165.12764	4.1
169.10136	3.1
171.11687	1.9
173.04500	3.6
173.09665	2.0
173.13307	4.2
175.11174	18.7
177.12799	3.3
179.14334	3.0
181.12230	3.1
183.11664	3.1
187.11258	1.6
189.11250	2.1
193.12233	51.3
195.13815	9.6
211.13266	68.7
227.12674	3.4
229.19536	1.9
239.17934	3.4
247.20549	2.4
251.16354	1.6
255.15855	13.7
257.19006	6.9
267.15881	36.6
269.17456	37.7
270.18024	1.5
273.18576	1.7
275.13574	1.6
275.20120	21.9
285.16946	60.4
331.22739	1.6
349.23669	21.6
367.24716	3.3
413.21671	1.9
447.27484	10.6
461.28918	32.3
462.28717	1.8
463.31253	1.8
465.28546	20.2
479.30008	98.2
480.30438	5.8
541.35339	8.8
559.36346	19.3
577.37177	4.6
623.33899	2.2
640.49622	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.4
55.05507	34.7
56.07021	1.5
56.11449	1.6
57.03170	1.9
57.03431	27.3
57.07055	3.1
58.98254	1.5
59.93529	1.7
61.02898	5.6
65.03930	4.4
67.05499	79.7
69.03419	16.4
69.07060	35.8
70.28506	1.4
70.97398	4.1
71.04996	8.4
71.08599	1.7
73.02873	1.7
77.03896	2.1
79.05486	77.8
81.03409	80.8
81.07047	100.0
83.04514	2.9
83.04972	32.6
83.08612	36.9
85.02896	31.7
85.06526	6.8
91.03948	2.4
91.05470	87.2
93.07037	67.1
93.20240	1.9
94.07333	1.8
95.04964	37.0
95.08014	2.6
95.08598	40.9
97.02866	6.7
97.06528	21.1
97.10144	12.3
98.21296	2.0
99.04379	2.1
99.08055	3.9
105.07022	64.8
107.04951	16.9
107.08582	40.3
107.73643	1.9
109.06525	14.8
109.10159	13.5
111.04414	6.5
111.08085	17.3
113.05987	3.3
113.09588	2.4
115.05449	5.0
117.06998	19.8
119.08573	45.6
121.06480	7.1
121.10127	28.7
123.08070	8.5
123.11668	5.4
125.09623	7.1
127.03918	4.5
129.06992	17.2
131.08556	35.9
133.06448	5.3
133.10101	34.7
135.08055	4.0
135.11684	15.7
137.09586	5.7
141.06949	2.4
142.07758	4.8
143.08575	4.0
145.06430	1.8
145.10123	20.9
145.31892	1.6
147.08066	4.4
147.11668	30.3
149.09625	20.8
149.13246	7.8
151.11169	2.7
155.08536	2.4
157.10117	21.1
159.11682	12.5
161.13248	3.7
163.11169	8.8
165.12688	2.4
169.10083	3.2
171.11610	2.0
173.04440	2.3
173.13219	4.3
175.11180	19.6
177.12711	4.6
179.14247	3.1
181.12360	2.5
183.11583	3.8
186.47664	1.6
189.11128	3.2
193.10565	3.4
193.12242	52.1
195.13721	4.8
197.13272	3.2
199.14661	1.9
211.13274	87.1
215.14561	2.0
227.12605	8.2
229.14442	3.3
229.19464	2.7
236.33562	1.6
239.17892	3.7
247.16899	1.8
249.14688	3.0
255.15913	11.6
257.18982	11.4
267.15878	37.9
269.17477	28.3
275.20001	34.6
285.16934	78.2
293.21329	2.1
297.66895	1.9
309.20691	2.8
349.23663	26.1
367.24780	2.6
413.21667	1.8
421.25888	2.7
439.26950	2.2
443.27914	3.3
447.27429	9.9
461.28970	29.5
462.28906	2.3
465.28427	19.6
479.29996	73.7
480.30325	3.9
501.31940	2.3
519.33051	3.8
541.35284	11.3
559.36292	30.0
577.36932	4.7
623.34021	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	774.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.5
55.05505	45.9
56.14479	1.6
57.03199	1.8
57.03431	18.3
57.07058	1.7
59.04975	2.5
61.02896	2.2
61.63946	1.5
65.03928	3.4
67.05145	3.4
67.05496	67.6
69.03430	12.3
69.07063	39.2
71.04989	8.2
79.05486	75.1
81.03409	70.9
81.07047	63.3
83.04974	21.3
83.08613	40.1
85.02896	26.4
85.06533	5.0
86.09712	2.6
86.10262	1.4
91.05469	72.6
93.06435	2.4
93.07035	50.8
94.07353	1.7
95.04955	34.5
95.08598	28.6
97.02874	8.8
97.05956	1.9
97.06530	21.3
97.10158	37.4
99.04433	1.7
99.08095	4.2
101.06009	1.4
103.05453	1.8
105.04590	1.9
105.06341	3.1
105.07018	55.1
107.04946	18.7
107.08585	59.1
109.02867	2.4
109.06503	10.4
109.10153	15.9
111.04422	6.4
111.08065	14.3
113.05989	3.0
115.05465	2.2
117.07008	14.9
119.04910	2.7
119.08572	42.9
121.06487	5.9
121.10130	19.2
123.08044	7.6
123.11696	4.4
125.08717	2.2
125.09619	36.7
127.03918	2.9
128.06253	2.7
129.06981	16.5
131.08565	30.7
133.06427	3.4
133.10120	35.4
133.11131	2.0
135.08054	8.2
135.11708	9.6
137.09621	4.0
141.06938	2.3
142.07800	2.9
143.08542	6.5
143.10678	1.8
145.10107	23.8
147.04347	2.2
147.08012	7.0
147.11682	28.5
149.09613	26.5
149.13219	3.7
151.11205	4.4
153.09102	4.0
155.08546	2.5
157.10109	23.7
159.11665	12.6
161.09613	2.3
161.13239	6.9
163.11143	7.4
165.09082	2.0
165.12692	4.2
168.06500	1.8
169.10094	3.7
171.10176	3.9
171.11615	3.3
173.11850	1.6
173.13261	5.2
175.11171	16.3
177.12753	2.5
179.14104	1.6
181.12213	2.1
183.11597	3.4
184.07361	8.6
185.13199	5.1
187.11150	2.9
189.11200	20.3
191.14349	2.3
193.12218	51.5
195.13808	1.5
197.13327	1.9
211.13272	70.8
212.13599	2.9
219.17500	2.1
227.12758	70.8
229.14307	2.5
229.19534	3.3
239.18011	3.6
245.13773	4.7
253.17961	2.2
257.19034	13.3
267.15900	25.9
269.17438	6.1
275.20023	60.6
285.16916	69.3
286.17206	2.7
293.21002	2.7
324.11279	1.6
328.69720	1.5
331.22540	6.6
342.68509	1.5
349.23703	62.6
350.24176	2.1
389.18015	2.9
437.25320	8.8
445.29468	2.8
449.30176	2.3
455.26071	11.8
461.28958	4.6
463.30347	4.0
467.31693	2.3
479.30124	4.8
523.34009	4.3
541.35199	43.9
542.35645	4.2
559.36267	100.0
560.36420	5.1
577.37299	9.8
581.28925	2.0
600.12793	1.7
804.56885	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	773.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.9
57.03447	7.1
61.02915	14.2
65.03931	6.6
67.05498	73.3
69.03431	5.1
69.07057	26.0
69.43420	34.5
69.43839	8.5
73.02920	6.8
79.05480	57.4
81.07054	75.5
83.08620	13.0
85.02905	11.6
91.03972	9.2
91.05469	55.3
93.07044	67.2
93.07612	7.2
95.04965	13.9
95.08599	55.6
97.02876	10.7
98.20741	8.7
100.40105	4.1
102.03722	3.6
105.07027	47.1
107.08572	41.4
109.06523	5.2
109.10169	25.3
117.07008	19.4
119.08573	49.8
121.10126	37.5
123.11723	5.9
127.00401	4.4
129.06996	15.8
131.08560	36.8
133.10117	32.1
135.11682	19.2
141.06979	7.5
143.08566	12.4
145.06514	5.1
145.10086	23.4
147.11644	32.9
149.13263	10.8
155.08603	5.9
157.10170	16.9
159.11667	28.9
161.13226	25.3
163.14819	7.8
167.08627	5.7
169.10208	6.2
170.91957	4.3
171.11691	17.3
173.13191	20.1
175.14833	11.2
181.10155	4.0
183.11699	10.5
185.13272	11.4
187.14833	7.8
189.16324	4.9
199.14867	7.1
211.14838	7.4
241.19518	19.7
257.18939	8.6
259.20523	30.7
261.22098	9.3
275.20087	3.9
333.24124	30.3
335.25769	66.8
370.06702	4.2
385.23987	4.6
504.04782	4.4
547.39789	6.6
593.45361	7.3
611.46674	100.0
612.47449	5.1
701.46686	5.2
773.51306	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	773.2121
Annotation	kaempferol 3-O-beta-D-glucosyl-(1->2)-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03414	0.5
61.02925	3.3
64.72350	0.2
68.99789	0.4
69.03410	0.9
71.71056	0.3
73.02892	0.8
81.03402	0.5
85.02397	0.4
85.02896	5.9
91.03954	1.2
91.25303	0.2
97.02879	2.0
99.04430	0.3
111.00790	0.7
118.91452	0.2
121.02854	2.3
127.03880	1.8
127.08006	0.2
137.02348	0.2
139.03857	1.4
145.04921	0.9
147.04387	0.3
151.03923	0.4
153.01823	2.6
163.05948	0.3
165.01820	1.3
183.02875	0.6
185.05977	0.3
213.05406	0.9
231.06386	0.4
238.43521	0.2
241.04955	0.7
258.05228	0.5
259.06113	0.4
279.52261	0.3
287.05463	100.0
288.05887	2.1
299.05307	0.3
309.81860	0.3
329.06393	0.6
353.06781	0.3
410.46497	0.3
449.10757	23.9
450.11063	0.5
489.42831	0.2
527.47644	0.3
611.16107	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	772.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.9
55.05503	16.8
57.03417	7.5
57.07046	2.1
59.04990	3.0
59.62050	1.4
61.02940	1.9
62.50731	1.5
65.03920	2.7
67.05144	3.3
67.05496	57.4
69.03421	3.7
69.07060	30.6
70.26559	7.3
71.04983	23.3
79.05483	34.6
81.03398	10.8
81.07047	83.2
83.04986	8.4
83.08617	10.8
85.02873	2.1
85.06533	3.7
91.05469	57.0
93.07035	34.6
95.01308	6.5
95.04970	11.8
95.08596	29.8
97.06528	19.7
97.10155	2.8
103.09688	1.5
105.06344	3.6
105.07019	60.3
107.04951	13.1
107.08573	23.4
109.06485	3.8
109.10165	11.8
111.04428	1.8
111.08061	4.7
115.05466	1.9
117.07032	14.0
119.08563	36.1
121.06474	3.2
121.10117	15.1
123.08018	3.8
123.11690	8.1
125.09704	2.4
129.06964	3.3
131.08559	23.2
133.10120	49.1
135.08066	3.0
135.11687	10.4
137.09604	3.2
143.08531	2.2
145.06534	2.8
145.10103	15.2
147.11659	14.2
149.09596	6.6
149.13243	7.4
151.11183	8.6
155.08594	2.0
157.10085	2.5
159.11678	13.7
161.13287	4.0
163.11176	3.0
165.12630	2.4
171.11638	1.8
173.13202	3.3
177.12727	4.0
179.14238	9.6
183.11685	2.0
183.13799	2.1
184.07294	3.6
187.11259	2.1
187.13264	3.9
195.13715	2.9
225.14828	7.0
225.31914	1.6
241.14430	1.8
247.20497	2.2
251.16353	3.7
252.93852	1.6
255.08469	1.5
257.17059	2.5
258.05896	1.7
267.15817	2.0
269.17505	9.3
275.20038	55.2
293.21036	2.5
301.20096	28.2
335.25708	2.7
349.23648	18.2
447.27881	1.8
517.28436	1.4
517.35168	40.4
531.36884	15.0
543.36731	100.0
544.36810	5.7
575.39362	76.8
576.39337	1.9
719.43213	3.5
780.58624	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.8
55.05507	20.3
56.11007	1.1
57.03431	7.2
57.07079	1.1
59.04994	2.2
61.02910	2.2
65.03928	2.3
67.05145	2.2
67.05500	40.8
69.03416	7.7
69.06691	1.7
69.07060	29.5
71.04978	3.4
71.72560	2.0
71.72948	1.4
79.05489	27.0
81.03399	8.3
81.07049	61.3
81.38116	0.9
83.04980	6.4
83.08608	13.4
85.02881	3.8
85.06548	2.9
91.05470	28.4
93.07033	23.6
95.01321	1.3
95.04974	9.4
95.08602	22.1
97.02876	8.1
97.06535	7.0
97.10155	10.6
99.08066	3.2
105.07017	30.8
107.04934	6.2
107.08583	20.6
109.06499	5.4
109.10135	7.3
111.04381	1.8
111.08072	3.1
111.79667	1.0
117.07005	7.3
119.04929	1.3
119.08572	25.6
121.06485	3.1
121.10133	14.4
123.04378	1.2
123.08042	6.7
123.11694	16.0
125.09615	8.4
127.07538	2.0
128.06181	2.1
129.06985	4.3
130.07846	1.3
131.08542	10.5
133.06493	1.9
133.10130	9.6
135.08017	3.7
135.11659	3.4
137.09605	3.1
137.13228	1.3
141.07002	1.3
143.08545	4.2
145.10101	6.3
147.08049	4.2
147.11682	34.4
148.11920	1.1
149.09625	3.6
149.13240	3.1
151.11221	2.0
153.09097	1.7
157.10126	3.6
159.11667	3.8
161.09569	2.3
163.11185	2.3
165.09068	1.3
165.12717	12.7
175.11200	3.2
177.12692	1.7
181.12199	1.2
183.13809	2.0
184.07356	2.5
189.11206	4.0
193.12230	4.2
199.28796	1.1
205.12289	1.9
211.13297	2.4
219.17451	2.1
223.13263	16.6
227.12680	5.5
229.14368	4.5
245.13596	1.3
245.19060	1.8
249.14864	2.7
253.14287	3.9
264.55829	1.1
267.15887	55.6
268.16388	1.5
269.17459	7.3
273.18408	16.4
275.20041	3.9
283.15372	3.2
285.16949	48.3
291.19519	100.0
292.19797	3.3
301.16199	1.5
309.20416	1.3
347.22128	4.8
349.23651	2.8
365.23203	63.5
366.23325	1.5
437.25131	2.6
451.49207	1.7
463.30533	3.9
477.28320	2.3
495.29459	2.2
536.22797	1.2
543.36285	3.3
557.34509	9.5
575.35724	75.7
576.35840	4.5
796.25177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.8
55.05507	37.4
55.05771	2.9
57.03433	19.7
57.07062	2.2
59.04996	2.4
61.02920	5.2
64.16492	2.0
65.03944	3.6
67.05496	81.5
69.03421	11.2
69.07055	25.7
70.27213	4.0
70.27595	4.8
71.04991	10.1
73.02923	2.9
79.05487	67.9
81.03410	56.3
81.07048	100.0
83.04978	28.1
83.08615	24.4
85.02905	18.7
85.06544	7.7
87.04472	2.5
91.03968	3.0
91.05473	83.6
92.64085	1.8
93.07039	63.3
93.11043	2.0
95.04956	36.2
95.05523	2.6
95.08023	2.9
95.08601	36.3
96.08870	2.1
97.02898	9.3
97.06509	14.1
97.10167	6.2
99.04462	3.5
99.08073	2.1
105.04520	2.5
105.07024	72.5
106.07369	2.6
107.04922	21.1
107.08589	48.5
109.06518	17.7
109.10143	45.2
111.04404	5.4
111.08073	12.1
113.06010	2.8
115.05428	2.8
115.37080	2.1
117.07019	17.3
119.08578	34.0
121.06488	11.4
121.10145	19.4
123.08061	7.9
123.11696	8.6
125.09604	6.2
127.07565	2.2
128.06253	2.0
129.06990	13.0
131.08560	26.8
133.06465	10.4
133.10124	67.3
134.10515	1.8
134.34818	1.8
135.08051	13.9
135.11710	12.7
137.09598	3.0
142.07782	4.4
143.08559	8.0
145.06445	2.9
145.10127	16.4
147.08054	10.5
147.11678	17.1
149.09599	14.7
149.13264	6.5
151.07556	2.0
151.11166	25.0
155.08546	3.4
157.10107	14.2
159.08046	3.8
159.11687	8.2
161.09636	6.1
161.13277	3.9
163.11127	12.3
165.12776	3.4
169.12254	4.4
171.11670	5.0
173.09610	4.8
175.11157	15.3
177.09174	3.9
177.12740	3.7
187.11047	2.7
189.11258	2.7
189.12779	2.7
193.12225	37.9
195.13882	3.5
209.11734	3.0
211.13289	55.8
211.15215	3.8
215.12776	3.7
219.13748	2.8
223.13243	2.0
227.12775	6.3
227.17912	2.6
233.15321	3.2
236.99916	1.8
245.19003	6.5
253.14345	51.0
255.15704	2.9
263.19897	4.9
267.15866	24.7
269.17358	12.0
271.15314	2.8
273.18451	30.1
274.18967	2.3
275.20047	6.3
283.15356	26.0
285.16940	47.2
289.17807	2.5
291.19519	35.0
309.20676	2.8
347.22311	13.8
349.23715	4.4
365.23190	30.8
445.25827	4.2
463.26923	24.2
477.28470	33.2
481.27975	16.3
539.33563	5.4
557.34760	30.1
575.35712	50.8
576.36169	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	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.5
55.05508	36.2
57.03210	1.6
57.03434	19.1
58.98386	1.5
61.02908	2.7
65.03917	5.2
67.05498	68.5
69.03416	13.1
69.07063	30.4
70.13158	9.3
71.04971	8.1
73.02905	2.2
77.03927	1.8
77.12921	1.7
79.05030	3.9
79.05486	60.9
81.02940	3.3
81.03410	65.6
81.07049	67.2
83.04972	17.4
83.08112	2.1
83.08608	29.0
85.02899	24.2
85.06522	5.3
91.05470	66.2
93.07035	48.3
95.04957	28.0
95.08591	27.5
97.02879	14.7
97.06512	14.0
97.10155	17.8
98.01860	1.7
99.04433	2.2
105.07021	51.2
107.04945	16.4
107.08578	38.9
109.02814	1.7
109.06499	11.1
109.10149	23.1
111.04417	3.9
111.08064	11.9
113.05965	2.9
116.06193	2.2
117.07009	14.3
119.04984	2.2
119.08567	32.3
121.06504	8.6
121.10149	16.4
123.08024	10.6
123.11683	6.4
125.09622	11.3
128.06201	3.1
129.07005	14.7
131.08557	20.3
133.06471	9.6
133.10117	36.1
135.08076	8.5
135.11682	9.7
137.09595	4.1
143.08554	4.8
145.10097	12.6
147.08099	10.6
147.11670	19.3
149.09608	14.0
149.13220	4.8
151.11166	13.1
155.08606	2.0
157.10095	17.5
159.11670	7.4
161.09575	6.4
161.11964	2.1
161.13251	2.9
163.11148	10.0
165.09254	1.6
165.12727	3.1
169.12221	2.1
171.11659	4.4
173.09535	2.0
175.11157	20.6
177.09259	1.8
177.12778	3.5
179.10576	2.7
181.10246	2.1
183.11703	2.2
187.11174	2.4
189.11258	4.3
193.12224	43.9
195.13754	3.0
205.12178	2.8
209.11554	1.8
211.13287	61.4
223.13252	15.7
227.12790	11.5
245.19182	3.3
249.14836	5.4
253.14349	37.2
257.18835	2.5
263.19955	2.9
267.15912	31.9
269.17526	8.3
273.18488	25.6
274.65671	1.7
275.20044	5.6
283.15436	20.1
285.16949	52.4
291.19525	100.0
292.19818	3.4
309.20615	3.0
312.05420	1.8
347.22021	8.0
349.23682	3.5
365.18829	3.8
365.23190	53.0
437.24881	2.3
463.26627	9.6
477.28354	24.7
539.33136	2.6
557.34729	45.8
558.34772	3.5
575.35699	71.9
576.35846	4.7
782.41333	1.9
798.06982	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	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44615	1.5
55.01870	11.8
55.05246	1.7
55.05502	26.6
57.03436	15.9
57.07063	2.2
61.02916	4.2
65.03930	2.2
67.05499	81.4
69.03419	10.3
69.07063	22.9
69.46142	17.2
71.04984	8.9
79.05489	59.7
81.02953	3.8
81.03412	68.8
81.07050	88.3
83.04974	24.6
83.08614	26.3
85.02899	24.3
85.06532	6.4
88.76077	1.7
91.05476	92.9
92.05830	1.7
93.07034	56.4
95.04961	42.3
95.08591	30.2
97.02877	7.0
97.06556	11.8
97.10138	6.6
99.04443	2.3
99.08082	1.5
105.07020	72.8
105.29358	1.7
107.04942	19.9
107.08581	43.2
109.06490	15.2
109.10145	60.9
111.04428	4.6
111.08080	13.8
113.05997	4.7
115.05386	2.9
117.07014	11.2
119.04919	1.8
119.08578	36.4
120.08900	1.7
121.06518	13.1
121.10126	17.6
123.08049	7.5
123.11693	11.3
125.09585	3.8
127.07513	3.8
129.06990	19.6
131.08562	29.9
133.06479	10.5
133.10118	88.0
135.08040	9.3
135.11658	5.2
137.09653	4.5
138.17880	1.8
142.07764	4.6
143.08540	4.5
145.10127	12.6
147.08057	8.3
147.11685	18.7
149.09633	15.1
151.11169	37.7
157.10109	20.6
159.08070	3.9
159.11687	5.1
161.09610	7.9
161.13251	2.0
163.11150	6.2
165.12752	5.1
169.12236	8.4
171.11649	4.8
175.11211	16.0
177.09163	3.0
179.10692	2.0
189.12724	3.1
193.12228	52.0
194.12526	2.1
211.13281	76.2
215.12762	2.7
220.21005	1.7
245.18973	4.5
249.14935	2.2
251.12866	3.3
253.14339	100.0
254.14519	4.2
255.17499	3.1
263.20193	3.6
267.15857	24.3
271.15366	2.5
273.18469	25.5
285.16937	62.1
291.19525	40.7
309.20605	2.4
329.20743	2.0
344.94632	1.7
347.22137	14.4
365.23199	42.1
366.23798	3.0
376.45798	2.6
445.25955	3.1
463.26846	22.9
479.26224	2.3
481.27914	30.6
539.33197	5.2
557.34711	26.6
575.35803	53.1
576.35699	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	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.05510	12.1
57.03433	4.5
57.07060	2.0
61.02921	14.1
64.23926	0.6
65.03938	0.7
67.05501	21.9
68.95113	0.5
69.03426	8.7
69.07066	10.3
70.63959	0.6
71.01368	1.4
71.04987	1.9
73.02915	8.0
79.05486	14.3
81.03421	4.2
81.07050	21.8
83.04977	1.8
83.08617	5.5
85.02902	12.8
85.06555	1.9
91.03442	1.0
91.03962	8.3
91.05473	14.8
91.16465	0.6
91.48669	0.5
93.07041	15.0
95.04955	2.5
95.08601	17.9
97.02882	13.2
97.06513	2.2
97.10162	2.8
99.04463	1.9
101.02378	2.2
105.07023	14.5
107.08582	9.5
109.02862	1.1
109.06522	1.6
109.10148	9.0
111.08095	1.8
115.03927	0.9
115.05465	1.1
117.07019	8.4
119.08575	12.7
121.10150	7.1
123.08095	1.7
123.11703	2.0
125.09629	1.0
127.03924	3.0
128.06229	1.9
129.07008	9.9
131.08565	11.1
131.57916	0.6
132.95045	0.6
133.10114	8.7
135.08112	0.7
135.11681	5.1
137.09634	0.6
137.13289	1.4
140.22055	0.6
141.06999	4.1
142.07784	3.2
143.08553	12.1
145.02808	0.6
145.05057	0.7
145.06416	0.7
145.10141	10.9
147.08028	0.6
147.11678	6.3
149.09695	0.7
149.13286	2.2
153.06964	0.8
154.07780	1.5
155.08531	11.1
156.09367	1.6
157.10120	12.6
159.11688	8.0
161.13271	2.2
163.14821	0.8
165.07005	1.4
166.07735	0.8
167.08563	4.0
168.09314	1.4
169.10127	11.8
171.11668	10.1
173.13274	5.8
175.14838	2.3
177.05539	1.0
179.08595	1.7
181.10121	6.7
182.10806	1.3
183.11678	10.7
184.07327	0.8
184.12416	0.7
185.13245	7.0
187.14748	3.7
189.16438	1.0
193.10197	2.1
194.11005	0.8
195.11668	7.2
196.12463	0.8
197.13275	8.5
199.14822	4.8
201.16457	2.2
207.11758	2.7
209.13237	6.0
210.13899	0.7
211.14821	5.3
213.16397	3.2
219.11726	1.2
221.13321	2.8
223.14725	4.8
225.16335	2.9
227.18108	1.5
233.13173	1.1
235.14833	2.4
237.16277	3.2
239.18036	2.6
241.19626	1.0
249.16412	1.3
251.17995	2.3
253.19618	1.3
257.18878	0.9
263.18008	0.9
265.19559	1.1
267.21234	1.1
277.19440	1.3
293.22217	0.7
295.20416	0.7
297.21982	0.8
299.20035	0.7
309.22110	1.1
311.23892	0.9
321.22095	0.9
323.23721	1.3
325.21713	0.7
333.21948	0.7
335.26099	1.0
337.25385	1.6
339.26764	0.9
341.24820	1.2
351.26984	1.4
353.24783	0.8
363.26773	1.4
365.28568	1.0
381.27939	0.8
382.78217	0.7
391.30109	0.9
393.31775	0.7
409.31250	0.8
419.28915	0.8
429.31332	0.9
465.33673	0.7
499.40060	0.8
503.35406	0.7
515.38055	0.8
517.40320	7.0
527.37323	0.7
535.41449	3.3
539.37396	1.7
541.39020	1.2
545.38818	0.7
553.40314	0.6
567.40430	0.8
573.42578	1.0
591.43848	6.7
607.43573	2.0
609.45093	100.0
610.45227	4.2
621.45129	1.8
651.46198	0.7
735.48285	0.8
751.45020	0.7
753.49445	1.6
771.50757	16.9
772.51349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.1
55.05506	18.3
57.03428	8.5
61.02911	1.9
65.03928	2.7
67.05144	3.0
67.05503	52.5
69.03421	4.5
69.07063	20.0
71.05003	4.1
72.25842	1.4
79.05029	3.0
79.05489	61.4
81.03425	11.5
81.07052	62.4
83.04976	13.5
83.08628	9.4
85.02879	2.7
85.06535	5.1
91.05472	61.0
93.07040	60.0
95.04949	15.8
95.08596	26.8
97.02873	3.4
97.06510	8.0
97.10177	2.9
99.08091	2.6
103.05391	1.6
105.04520	1.9
105.07025	40.2
107.04935	6.3
107.08586	24.1
109.06503	5.2
109.10147	10.8
110.20653	1.3
111.04439	1.6
111.08059	2.2
115.05382	2.6
117.07019	13.4
119.08569	20.3
121.06504	3.9
121.10158	9.0
123.08063	4.2
123.11727	2.4
125.02465	1.5
127.03887	2.2
128.06206	1.7
129.07005	10.5
130.07767	1.7
131.08569	11.0
133.06598	1.8
133.10127	19.5
135.08017	3.6
135.11697	7.6
137.09647	1.6
143.08589	7.5
144.08884	1.8
145.10110	11.6
147.08087	2.5
147.11693	22.0
149.09555	5.9
149.13263	5.7
151.11197	4.0
157.10152	3.8
159.11679	5.9
161.09616	4.4
161.13219	8.7
163.11163	6.9
171.11676	15.4
173.04472	1.4
173.13228	2.6
177.12663	1.5
189.12715	6.1
195.13780	3.6
196.22058	1.3
207.13812	14.3
211.13164	1.5
253.14307	11.0
255.15921	2.7
257.18826	3.3
269.17542	18.0
273.18457	2.2
275.20105	14.1
281.17462	39.4
283.15387	2.8
291.19440	3.3
349.23676	8.5
367.24649	2.7
420.33072	1.4
461.28885	19.9
474.85522	1.5
475.30548	100.0
475.89270	2.0
476.30945	4.2
537.36554	1.9
555.37018	17.6
573.34680	4.1
619.34619	2.7
771.24817	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	770.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.4
55.05506	27.5
57.03435	13.6
57.07053	1.4
61.02924	1.4
65.03929	5.4
67.05499	77.4
69.03426	7.3
69.07061	24.4
69.61281	9.1
71.04977	5.0
73.06523	1.8
74.41048	1.1
77.03931	1.4
79.05486	99.6
80.05816	1.5
81.03406	17.2
81.07048	83.0
83.04509	1.6
83.04972	17.5
83.08612	13.2
85.02874	3.2
85.06520	4.5
91.05471	81.2
92.05779	1.3
93.07035	92.7
94.07336	1.1
95.04964	29.2
95.08597	39.7
97.02862	4.3
97.06512	18.9
97.10149	8.1
99.08086	2.1
103.05441	2.4
105.04496	2.6
105.07022	54.0
107.04951	13.5
107.08579	35.3
109.02880	2.6
109.06506	12.0
109.10146	11.2
111.08063	5.9
115.05450	3.9
117.06997	19.2
119.07742	2.1
119.08568	37.7
121.06483	7.5
121.10122	14.4
123.08059	8.1
123.11680	2.8
125.05941	1.6
125.09623	3.1
127.03909	3.2
127.07523	1.9
128.06207	3.3
128.08229	1.7
129.07004	14.3
130.07765	1.7
131.08566	17.0
133.06470	2.9
133.10115	24.8
135.08022	3.5
135.11682	13.0
137.09602	1.4
139.11113	1.3
142.07732	1.3
143.08539	13.0
145.06398	1.5
145.10100	22.0
147.08051	3.1
147.11671	39.3
149.05928	1.2
149.09596	9.0
149.13283	7.7
151.11159	2.6
155.08510	2.0
156.09357	1.5
157.10095	2.8
159.11693	12.6
161.09583	4.5
161.13257	13.7
163.11160	10.3
165.12717	1.8
169.10109	3.1
171.11676	24.8
173.04372	3.3
173.13258	3.9
177.12746	4.2
179.14293	3.5
181.12193	1.4
183.11737	2.9
185.13185	1.5
189.11165	2.0
189.12720	10.2
195.13881	2.9
197.13289	2.1
207.13788	31.5
208.14096	1.4
225.14702	2.3
227.12766	5.6
239.18050	3.2
247.20575	1.7
253.14410	4.5
255.15973	5.8
257.18967	9.2
265.14252	1.2
267.15723	2.0
269.17505	15.3
275.20026	28.3
279.15936	2.0
281.17450	73.7
282.17792	2.5
283.15378	2.0
291.19531	2.2
293.21027	2.9
309.20584	1.7
331.22556	1.8
349.23724	16.2
367.24951	2.0
435.27063	1.7
451.26865	1.7
457.29688	1.5
459.30911	1.9
461.28925	29.2
462.29141	1.7
475.30527	100.0
476.30740	7.4
487.72690	1.2
507.11270	1.2
515.33875	6.1
524.71338	1.3
527.37048	1.3
537.35516	1.6
555.36768	33.7
556.37158	2.7
573.37079	4.7
617.74701	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.2
55.05510	23.3
57.03430	8.8
61.02914	2.3
67.05495	30.7
69.03416	9.0
69.07059	12.5
71.04994	7.4
71.71741	4.3
73.02905	2.3
79.05491	36.3
81.03414	80.9
81.07050	34.2
81.31654	2.0
83.04991	11.3
83.08611	23.5
85.02874	10.8
85.06551	3.3
86.09673	2.2
86.84338	1.9
91.05476	35.4
93.07040	24.2
93.70855	1.9
95.04960	32.3
95.08603	12.6
97.02871	5.9
97.06538	4.4
97.10165	19.6
99.08044	2.5
105.07032	20.2
106.07329	2.4
107.04943	12.5
107.08588	17.2
109.02853	2.9
109.06522	8.5
109.10136	13.6
111.04428	3.7
111.08070	8.1
113.05939	2.7
117.07000	8.7
119.04873	3.1
119.08576	21.2
121.06497	8.9
121.10129	9.7
123.04394	3.0
123.08080	5.5
123.11636	3.3
125.09626	15.0
127.03860	2.2
129.06996	14.1
131.04941	3.0
131.08559	15.7
133.06473	7.7
133.10120	13.7
135.08031	6.7
135.11684	3.5
141.06944	2.1
142.07767	3.5
143.08575	5.2
145.06465	4.0
145.10120	7.5
147.04410	5.1
147.08012	7.9
147.11716	10.7
149.09622	6.4
155.08562	3.1
157.10104	12.5
159.08003	3.1
159.11751	2.9
161.13409	2.1
165.12744	4.3
171.11749	2.7
175.11176	12.2
177.12807	2.4
184.07330	2.2
185.09514	2.7
187.14812	3.4
189.11162	5.8
192.21043	2.3
193.12233	21.8
199.11211	2.8
211.13235	10.1
215.14310	3.4
219.13736	3.1
227.12793	6.1
233.15347	6.4
233.51718	2.2
249.14751	3.5
267.15878	39.8
273.14813	6.5
285.17096	5.6
301.14362	2.9
339.23270	4.9
349.21548	5.2
367.22693	13.8
384.80573	2.4
385.23688	21.0
403.24811	7.9
421.25784	8.6
429.21143	3.3
433.25894	2.9
441.26337	8.1
459.27393	87.6
460.27875	3.0
477.28430	100.0
491.29980	18.0
501.27951	2.6
509.31277	12.9
543.36743	3.2
585.30426	6.5
603.32758	2.5
621.32416	5.6
704.33173	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.3
56.05057	1.5
57.03413	1.6
58.99591	1.5
60.52686	1.4
62.64625	1.3
68.05021	2.5
68.99785	2.2
69.60123	3.6
69.60545	8.1
71.04991	6.2
74.00644	2.3
76.03999	2.0
82.06569	4.5
83.06095	13.2
84.04494	13.9
85.02906	6.8
85.04021	10.4
92.01692	3.6
95.04984	4.5
96.04501	2.5
98.06055	2.6
107.06083	5.6
108.04485	3.8
109.02866	3.2
109.07643	7.9
110.06047	6.3
111.00794	3.0
111.04431	3.2
112.03963	7.7
113.03481	2.1
123.00856	2.4
126.05497	2.1
129.06578	15.1
130.04996	26.1
131.04509	9.0
135.05527	1.8
136.03935	6.5
139.03915	2.4
140.01640	6.7
141.04796	3.0
141.82727	1.6
146.21628	1.4
146.96848	1.6
153.01805	10.1
153.06575	9.2
154.05122	2.2
155.08162	6.1
168.05272	2.4
168.99564	3.2
176.07121	1.5
177.03276	26.5
178.08627	3.0
180.99599	2.2
181.06128	3.6
181.69774	1.4
185.03763	2.0
187.05385	2.7
195.01115	3.9
199.07140	9.7
207.01118	1.7
208.99017	7.4
211.07123	3.3
222.07628	11.7
223.00595	6.0
231.04381	4.2
236.98492	11.0
240.08795	1.5
240.98073	2.7
243.04457	7.7
247.00671	2.8
251.00035	1.8
254.97220	1.7
254.99446	8.5
257.07758	2.7
260.03152	4.5
275.00000	3.1
278.99741	3.4
287.00183	2.1
293.01096	16.4
304.00525	1.7
316.02252	3.8
317.02921	2.1
318.03726	3.6
319.04495	29.2
321.00610	100.0
329.03033	8.8
333.00476	7.5
347.02228	4.0
349.00092	60.6
350.00433	1.7
351.01648	11.3
375.01495	11.3
392.04333	4.6
458.05280	7.6
478.04321	11.4
486.04813	2.6
495.07001	54.8
549.08130	30.0
561.08191	8.6
624.01166	2.0
624.11340	36.7
780.07410	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	769.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.9
55.05512	22.6
57.03429	19.6
59.04968	2.2
61.02914	6.0
65.03931	4.6
67.05501	78.2
69.03064	2.8
69.03430	52.9
69.07061	22.9
71.04993	13.5
71.70034	2.3
71.70467	2.6
71.90403	2.2
73.02906	5.1
79.05487	51.4
81.03414	98.3
81.07052	100.0
83.04980	28.6
83.08610	19.1
85.02902	24.3
85.06528	7.0
87.04453	3.3
91.03935	2.9
91.05475	51.0
93.07040	62.6
94.34168	2.1
95.04961	22.0
95.08602	37.5
97.02890	43.8
97.06520	12.6
97.10154	3.9
99.04451	14.4
99.08070	3.3
101.02343	5.1
103.03962	2.5
103.05415	3.2
105.07022	36.1
107.04967	12.1
107.08586	33.1
109.02879	30.8
109.06498	8.1
109.10122	10.5
111.04446	18.0
111.08083	7.7
115.05421	4.5
117.07002	21.1
119.08566	20.3
121.06486	10.4
121.10152	18.9
123.04418	4.7
123.08083	6.0
123.11697	12.2
127.03046	3.2
127.03915	36.1
129.05467	10.6
129.06984	8.1
131.04918	2.6
131.08574	21.7
133.06505	4.7
133.10112	19.7
135.08029	5.2
135.11667	12.4
137.06000	4.7
139.03911	3.4
141.06970	3.8
143.08545	5.3
145.05002	3.5
145.06464	5.2
145.10107	9.1
147.04362	3.5
147.08026	3.1
147.11681	17.4
149.09552	3.8
149.13257	25.6
150.50450	2.3
151.03915	2.6
151.11189	2.9
155.08492	4.3
157.05049	2.6
157.06468	5.0
157.10121	6.0
159.11707	20.2
161.13240	3.2
165.12730	6.7
169.04886	2.6
169.10127	4.1
171.08095	2.6
171.11656	3.2
173.04469	26.0
173.09601	3.2
173.13219	3.5
175.11118	3.2
177.05524	2.2
177.12717	13.6
179.14250	4.8
183.06564	2.4
183.11656	3.3
193.12289	4.8
195.13824	28.3
213.14870	9.1
219.13864	2.6
227.12656	2.3
229.14314	4.1
233.15419	2.4
249.14801	2.5
253.07047	4.0
253.18016	6.6
259.16794	2.4
261.14810	4.2
267.15997	15.7
269.10498	3.8
269.17496	33.6
275.16476	4.3
285.14386	2.7
285.17084	7.8
287.16464	4.3
297.17010	4.6
303.15903	7.0
316.61905	2.3
321.16779	7.2
339.17990	15.4
343.26398	2.2
371.25705	3.2
377.19659	6.2
395.20596	12.6
411.27322	3.0
413.21591	13.5
422.18408	3.4
422.69046	3.8
445.29657	18.7
462.29449	2.8
463.30536	45.7
483.22760	2.5
516.35645	2.3
534.27765	2.5
571.32672	4.6
589.33441	9.0
607.34711	39.0
653.20996	2.5
751.38361	5.6
769.40015	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	769.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.8
57.03433	8.6
64.47654	1.1
68.99780	7.2
69.03418	9.1
71.04990	53.4
71.05391	2.9
71.17147	3.5
73.02896	2.1
75.04445	1.6
81.03401	3.3
83.04968	3.1
85.02898	54.1
93.03389	1.3
109.02863	5.1
111.00801	8.5
111.04403	4.4
119.04906	1.6
123.04418	11.9
127.03909	44.2
129.05482	12.0
133.02824	3.2
135.04373	2.7
137.02342	2.4
139.03905	22.4
147.04411	5.3
147.06604	1.6
151.03897	34.0
151.05069	2.2
153.01802	18.0
155.03386	6.2
161.02304	1.4
161.05969	1.4
163.03928	3.6
165.01822	4.8
165.05440	1.6
169.04956	4.0
173.05809	1.2
175.03850	6.9
177.05553	2.7
179.03375	39.1
183.02797	2.0
189.05516	3.0
190.84348	1.4
191.03384	1.8
193.04977	4.9
195.02939	2.2
199.03912	3.7
201.05428	1.6
203.03397	8.2
205.01283	2.4
205.04823	1.4
213.05426	3.5
215.03362	4.0
217.04962	8.9
219.06480	3.8
227.03395	2.3
229.04854	4.4
231.06502	2.1
237.05380	2.0
237.07571	4.5
241.04961	3.3
245.04425	10.9
249.07671	1.4
255.08842	1.9
257.04422	3.8
259.06036	2.6
261.07541	1.4
263.05475	16.8
269.04431	3.8
271.02344	10.5
271.05539	2.0
273.03894	5.0
283.05884	2.4
283.08942	1.3
285.03912	19.0
287.05487	23.9
289.03427	12.2
289.06555	1.9
290.04260	1.5
295.05975	1.2
297.03870	3.5
299.05511	2.7
301.03574	2.3
301.06866	1.4
303.04761	1.9
305.06503	12.8
311.05426	4.6
313.03314	2.5
315.05032	3.4
317.06531	3.6
319.04474	100.0
320.04996	2.7
327.04889	1.4
329.03036	2.3
329.06549	8.0
331.04468	17.9
335.05569	1.3
343.04205	1.5
343.08411	1.6
345.06146	2.7
347.07635	2.7
353.06500	3.4
359.03970	1.5
361.05521	12.2
369.05865	4.9
371.03790	9.2
371.07755	2.3
373.09180	4.8
391.10193	4.8
397.09058	5.5
415.10110	5.0
433.11322	3.2
437.05005	8.1
449.04666	1.8
451.12268	3.2
455.06018	31.7
467.06244	2.9
479.06021	8.8
497.07065	4.5
521.06854	3.2
547.08228	3.5
565.09674	4.0
583.10687	6.4
595.11676	1.2
605.08862	4.7
623.10242	54.6
624.10699	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.2
55.05502	26.6
57.03419	8.5
65.03926	4.8
67.05150	5.0
67.05496	87.4
69.03406	7.2
69.07057	30.2
70.12513	12.6
70.12913	4.4
71.04984	8.9
73.06557	3.5
77.03936	3.0
79.05479	88.1
81.03422	15.0
81.06565	3.2
81.07045	87.8
83.04962	19.0
83.08613	12.8
85.06524	7.0
91.05470	99.6
93.07033	93.1
95.04958	31.4
95.08590	41.7
95.81575	2.1
97.06504	9.6
97.10154	2.6
101.58902	2.3
105.07016	75.0
107.04925	12.5
107.08577	48.1
109.06514	13.2
109.10146	49.0
117.07025	19.2
119.08566	36.5
121.06490	11.3
121.10130	10.4
123.08050	8.7
123.11722	6.0
125.09612	3.9
127.07533	3.8
128.06206	3.1
129.06996	22.0
131.08562	20.0
133.06496	7.0
133.10114	69.3
135.08049	10.4
135.11656	6.7
137.09604	3.8
143.08540	13.7
145.10083	17.9
147.08049	7.3
147.11671	43.0
149.09641	7.6
149.13216	3.2
151.11157	28.3
152.00807	2.3
157.10031	2.8
159.08000	3.1
159.11697	9.8
161.09598	10.8
161.13228	8.6
163.11096	2.7
165.09149	3.1
169.10095	3.7
169.12233	4.8
171.11647	25.9
173.09509	3.0
175.11133	4.9
177.12758	3.8
185.13155	2.9
189.12651	13.9
198.86951	2.8
199.11186	2.8
207.13785	29.1
215.12657	3.2
217.20009	2.5
225.14873	3.9
227.17738	2.9
245.18900	5.6
251.12717	6.4
253.14317	100.0
255.17404	3.5
263.20142	5.0
269.17346	5.1
273.18442	39.6
275.19992	7.6
281.17438	64.5
291.19528	42.6
297.27902	2.7
301.21515	2.6
309.20407	5.2
347.22119	17.2
365.23196	28.9
441.08255	2.9
472.18774	2.6
475.26498	5.0
477.28445	30.6
529.38458	3.0
543.36536	11.2
553.35156	18.2
571.36188	93.6
572.35480	3.3
697.40100	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	764.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72283	1.1
55.01857	1.7
60.01765	1.3
60.97051	1.1
63.53488	1.2
65.03929	3.1
67.05497	2.9
69.03420	4.1
71.05003	1.6
71.71245	1.4
79.05476	2.2
81.03425	6.3
82.70615	1.3
85.02888	4.5
91.05458	6.3
94.04215	1.8
95.04971	3.5
103.05453	28.0
107.04939	2.1
113.06009	3.0
115.05465	3.5
115.61829	1.3
117.07050	3.2
118.04158	2.8
118.63628	1.2
119.04960	5.8
120.08163	1.2
122.03652	4.3
123.04431	2.9
127.03931	8.2
128.04207	1.2
129.06964	1.7
131.04919	55.3
133.02820	2.0
133.06467	2.1
135.08087	1.8
137.05963	100.0
138.06187	1.6
139.03888	8.4
140.04222	1.8
143.04938	1.5
145.06482	4.7
147.04411	10.0
147.08040	1.6
148.05182	6.9
149.05959	3.2
151.03899	61.3
151.04889	2.4
151.07492	6.9
152.04251	2.4
153.01871	2.0
153.05414	3.7
161.05980	4.4
163.07529	69.7
164.07939	1.5
165.05498	3.1
167.06987	10.8
171.04486	2.0
173.05943	2.4
174.61462	1.2
175.07555	11.5
176.04698	1.2
177.05434	3.8
177.09003	1.3
179.03410	2.4
179.07079	6.3
181.04948	13.6
187.07585	3.8
189.05444	2.2
189.09073	2.2
190.06143	1.7
191.07005	64.0
191.46509	1.5
192.07471	1.7
193.08736	2.2
201.05466	1.6
203.03503	1.4
203.07033	3.6
205.08638	8.8
209.08058	4.2
215.01114	1.3
217.08565	2.8
219.10120	1.6
233.08022	3.5
235.09631	5.3
237.08963	2.1
263.09128	10.7
265.10684	4.9
267.15845	1.5
287.05524	2.7
295.09598	1.9
299.12769	2.4
300.05792	1.8
325.10748	1.7
327.12061	2.9
329.13974	1.5
341.13635	1.6
355.11725	5.7
359.14734	1.4
369.13382	4.0
387.14352	31.0
388.15134	1.8
426.09204	1.4
490.48932	1.6
517.18445	6.1
549.21240	3.4
550.82141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05494	1.6
55.94434	0.8
57.03423	3.4
61.02913	7.4
66.84312	0.9
67.05507	8.3
68.63187	0.9
69.03430	5.3
69.07072	2.0
71.05005	3.3
71.70832	1.2
73.02918	6.1
79.05492	4.8
81.03416	5.2
81.07050	7.4
83.04995	1.1
83.08604	1.4
85.02908	6.2
87.04459	1.1
91.03956	5.4
91.05477	4.3
93.07042	5.6
94.06050	1.1
95.04980	1.3
95.08605	4.4
97.02866	6.7
97.06560	1.1
101.02364	2.0
105.07041	3.9
105.63461	0.9
107.08594	2.8
109.02901	1.1
109.10159	2.8
119.08605	1.8
121.10150	1.5
123.11730	1.1
127.03908	1.7
130.91968	1.0
131.08615	1.0
133.10143	2.3
135.11697	1.5
173.04486	1.5
228.17838	1.0
243.08521	3.1
267.15826	1.9
313.27191	1.5
485.23578	5.5
519.29248	8.9
540.74286	1.1
546.34357	1.0
593.71588	0.9
763.45996	100.0
764.46368	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	763.401
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	7.4
67.05481	2.8
69.07056	1.3
71.07360	2.8
81.03415	1.5
81.07043	2.6
86.09702	26.4
87.10012	5.6
91.05457	1.6
93.07018	1.5
98.98466	3.5
104.10754	1.9
124.99993	19.3
126.00312	1.1
132.41116	1.2
157.95122	1.1
184.07329	90.5
185.07721	8.7
190.69951	1.2
249.05438	1.1
335.69965	1.2
387.65329	1.1
713.45544	5.0
763.40210	100.0
764.40729	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	763.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	6.3
67.05502	3.4
69.07076	1.8
71.07381	3.5
71.72562	1.5
79.05473	1.6
81.03443	1.7
81.07046	2.6
86.09185	1.4
86.09701	27.6
87.10043	3.2
91.05473	1.6
93.07018	2.0
95.08594	2.0
97.02931	1.3
98.98467	3.5
99.26826	1.0
104.10718	1.8
119.04784	1.1
120.43902	0.9
124.99998	23.1
127.03896	1.2
133.10072	1.3
147.04416	2.6
150.29155	1.1
158.64819	1.1
184.07341	100.0
185.07684	14.0
313.92960	1.1
337.27505	1.4
425.09146	1.1
713.45227	5.3
745.41376	1.3
763.40289	77.2
764.40601	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	763.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.6
55.01875	1.0
55.02256	0.3
60.28287	0.3
61.62479	0.3
65.03937	1.2
67.01861	0.8
67.05513	0.4
68.99781	6.8
69.00146	0.6
69.61662	3.0
79.01841	0.5
79.05478	0.5
81.03408	2.6
91.05470	0.7
93.03407	0.5
95.04979	0.9
98.20653	0.6
99.04472	0.8
105.03374	0.8
107.04959	0.4
109.02868	3.5
111.00784	6.3
111.04433	1.4
117.07006	0.4
119.04954	0.6
120.44220	0.3
121.02862	2.0
123.04420	9.6
123.05284	0.6
125.02312	0.4
127.03901	64.8
128.04242	0.8
129.07167	0.4
131.04904	0.9
133.02832	2.5
135.04384	1.4
137.02344	0.7
139.03885	100.0
140.04222	1.0
143.03398	0.7
145.06490	0.6
147.02472	0.4
147.04387	5.9
149.02338	1.3
149.05931	1.0
149.75612	0.3
151.03889	31.1
152.04283	0.5
153.01808	9.5
155.03377	2.8
157.02858	0.4
157.06485	0.9
159.04404	1.1
161.02359	0.5
161.05981	1.0
163.02519	0.4
163.03882	8.0
165.05504	1.5
167.03380	3.2
169.06467	0.6
171.04390	1.8
173.05988	1.2
175.03893	10.7
177.01878	0.4
177.05458	5.1
179.03375	30.3
180.03691	0.5
181.04893	2.3
183.04425	0.9
185.05937	1.7
187.03864	0.6
189.05461	2.9
191.03372	6.0
193.04948	3.6
197.05977	1.3
199.03964	2.5
201.05424	4.0
203.03372	13.7
204.03786	0.4
205.04903	4.3
211.03947	0.5
213.05450	4.7
215.03340	1.0
215.06917	0.6
217.04948	3.6
219.06497	0.7
221.04388	0.6
223.02283	1.3
225.05466	0.5
227.03450	0.6
229.04958	4.2
231.02934	0.4
231.06494	2.3
233.04422	3.2
241.04858	2.0
243.06645	0.6
245.04443	10.8
247.05907	0.6
251.05482	1.2
253.04968	1.4
257.04449	7.5
259.05917	2.9
263.05481	20.1
269.04410	4.6
271.05927	3.6
275.05487	8.9
277.07050	1.4
281.04453	0.8
287.05475	33.3
288.05765	0.9
289.07004	6.5
295.05951	1.0
297.07471	0.5
299.05475	19.4
301.06827	0.6
305.06543	6.7
307.08066	1.3
311.05389	1.1
313.06955	0.7
317.06534	18.1
323.05429	2.0
329.06802	0.4
341.06638	0.6
361.06769	0.4
365.06940	0.4
369.35968	0.4
389.06375	1.0
407.07547	8.1
425.08636	22.4
426.08838	0.7
437.08612	0.8
443.09540	2.5
449.08627	0.8
459.09000	0.7
467.09381	1.1
595.10486	1.3
650.43542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.8
55.01876	0.9
65.03942	1.2
66.82942	0.4
67.05513	0.9
68.99780	5.5
70.66270	1.2
79.01862	0.8
81.03427	1.9
82.44783	0.4
94.64282	0.4
95.04968	0.6
99.04465	0.7
105.03381	0.8
107.04889	0.6
109.02882	2.6
111.00780	5.8
111.04442	1.1
119.04929	0.5
121.02876	1.6
123.04422	9.2
127.03907	69.7
131.04907	0.5
131.47514	0.5
133.02869	1.3
135.04413	0.5
139.03889	100.0
140.04199	1.4
147.04402	4.2
149.02330	1.7
149.05989	0.8
151.03896	29.5
153.01801	10.2
153.02953	0.9
153.05411	0.5
155.03371	2.7
157.06448	1.1
159.04427	1.3
161.06003	0.8
163.03917	7.5
165.05440	1.5
167.03424	3.1
167.04758	0.6
171.04387	1.8
173.05931	0.6
175.03882	8.0
175.05260	0.7
177.05479	3.7
179.03383	30.5
181.04988	2.4
183.04440	0.7
185.05965	1.4
186.06670	0.5
187.03879	1.3
189.05452	2.8
191.03427	5.1
193.04950	2.6
197.05913	0.8
199.03929	2.1
201.05481	3.4
203.03383	13.8
205.04941	3.7
211.03922	0.7
213.05472	3.3
215.03325	0.6
217.05005	3.3
217.06850	0.7
219.06528	1.3
221.04317	0.5
223.02319	0.7
225.05452	0.6
227.03304	0.8
229.04935	3.3
231.06479	2.3
233.04347	2.5
241.04958	2.0
243.06465	0.7
245.04446	11.2
247.05962	0.8
253.04961	1.0
255.06526	0.6
257.04453	7.1
258.04956	0.5
259.06018	2.3
263.05487	22.0
269.04410	4.1
271.05991	3.2
275.05499	9.1
277.06900	1.7
282.83716	0.4
287.05475	38.1
288.05759	0.9
289.07019	8.5
299.05490	22.6
300.05753	0.6
301.06918	0.9
305.06561	8.3
307.07956	1.7
311.05432	1.0
317.06525	21.1
318.06821	0.6
323.05261	1.2
365.06534	0.7
389.06250	0.8
407.07581	8.0
421.90482	0.4
425.08646	25.4
426.08740	1.5
437.08389	1.0
443.09845	4.2
449.08408	1.1
459.08859	1.7
467.09302	1.4
527.71985	0.5
527.79919	0.5
593.12695	0.6
595.10242	1.6
601.98950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.8
53.03936	0.3
55.01873	0.6
62.12847	0.2
65.03940	1.7
67.01845	0.4
67.05492	0.7
68.99782	5.4
70.06314	1.1
77.03925	0.4
78.17059	0.2
79.01852	0.8
79.05482	0.2
81.03413	3.1
88.83405	0.2
91.05476	0.7
93.03391	0.3
95.04953	1.0
98.20783	0.3
99.04443	0.7
105.03386	0.9
107.01321	0.5
107.04923	0.4
109.02858	3.5
111.00785	6.3
111.04443	0.7
115.05445	0.4
119.04931	0.8
121.02860	2.5
123.04424	10.1
125.02335	1.1
126.06650	0.2
127.03902	60.9
128.04266	0.6
129.06996	0.3
131.04910	0.5
133.02847	2.2
133.06462	0.3
135.00763	0.6
135.04402	1.3
137.02322	0.3
139.03888	100.0
139.29283	0.3
140.04236	0.8
143.03384	1.0
143.04909	0.4
145.02817	0.4
145.06447	0.4
147.04402	5.7
149.02347	1.4
149.05951	0.5
150.03116	0.4
151.03889	30.4
153.01816	9.3
153.05388	0.4
155.03391	3.5
157.06502	0.8
159.04384	1.3
161.02348	0.3
161.05991	0.9
163.03894	8.1
165.05447	1.0
167.03415	1.7
167.04662	0.3
169.05096	0.3
171.04350	1.3
173.02267	0.4
173.05989	1.0
175.03899	12.3
177.05447	3.8
179.03378	32.3
180.03777	0.4
181.04971	1.7
183.04398	0.3
185.06020	1.4
187.03889	0.7
189.05460	2.1
191.03404	2.5
193.04927	2.2
197.06094	0.6
199.03886	1.9
201.05467	3.4
203.03372	15.9
204.03690	0.3
205.04933	2.5
213.05478	3.2
215.03419	0.9
217.04927	3.3
219.06586	0.5
221.04416	0.7
223.02348	0.7
225.05476	0.5
227.03406	0.9
229.04938	2.4
231.06505	1.5
233.04527	1.0
237.05415	0.6
241.04961	2.7
243.06577	0.5
245.04420	7.0
247.05901	0.3
253.05046	0.7
255.06610	0.3
257.04440	6.3
258.05151	0.4
259.05948	2.7
263.05481	11.0
265.05051	0.5
269.04437	6.8
271.06046	1.7
275.05499	3.7
277.07050	1.5
281.04398	0.7
283.05975	0.8
287.05478	36.0
288.05881	0.8
289.07043	5.8
295.06042	0.4
297.07532	0.3
299.05472	9.0
301.06958	1.6
305.06537	9.5
307.08081	1.0
311.05475	4.5
313.06961	0.7
317.06534	5.1
323.05466	0.7
323.09348	0.3
327.05020	0.4
329.06543	2.4
341.06592	0.4
365.06094	0.3
389.06406	0.4
407.07571	4.4
425.08621	11.1
437.08673	3.2
443.09744	1.4
449.08694	1.5
455.09677	1.2
459.09488	0.3
467.09641	1.9
557.10840	0.3
575.11542	0.8
593.12598	0.8
595.10974	1.2
793.02228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.05505	7.3
57.03434	6.9
57.07071	21.9
65.03928	1.8
67.05497	28.7
69.07064	9.7
71.08626	14.1
71.14383	1.6
78.24126	0.6
79.05489	11.9
81.07049	27.1
83.08620	8.8
85.06529	1.0
85.10172	7.3
91.05472	18.4
93.07032	11.5
95.04986	1.4
95.08599	29.7
95.09218	1.4
97.06513	2.8
97.10154	3.7
105.07000	4.3
107.08585	6.3
109.10140	11.9
111.08063	1.3
117.07021	0.8
119.04932	26.4
119.08559	3.0
121.10143	8.3
123.11703	3.9
125.09583	0.9
131.08548	2.7
133.10124	4.3
135.11678	4.2
137.09651	1.0
137.34320	0.6
138.17577	0.7
145.10086	1.6
147.04396	100.0
147.11687	1.9
148.04723	1.3
149.13193	1.3
151.11198	1.5
159.11656	0.7
165.05460	3.1
215.17999	2.5
233.18929	2.5
239.23706	1.2
251.19984	1.8
257.24811	0.9
289.21756	0.7
307.22687	8.8
311.25778	1.6
313.27341	41.2
314.27609	2.1
325.23682	27.9
459.30734	0.9
471.27377	2.2
545.45673	7.3
563.46667	38.8
564.46783	1.6
596.86072	0.8
654.49957	0.7
727.52722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
56.05027	0.7
58.06597	0.4
60.08163	5.8
60.98871	0.2
67.05489	1.0
69.07059	0.5
71.07365	4.0
79.05484	0.6
81.03410	0.7
81.07057	1.3
83.08624	0.2
86.09701	32.0
87.10067	0.3
91.05437	0.4
93.07031	0.7
95.04967	0.3
95.08598	0.7
98.21503	0.4
98.62056	0.2
98.98455	3.4
104.10729	2.0
105.07043	0.4
107.04919	0.2
107.08591	0.4
109.10163	0.5
119.08567	0.4
121.10141	0.4
123.11691	0.2
124.99996	19.9
133.10138	0.3
143.01048	0.4
147.04375	1.1
147.11650	0.2
148.04689	0.3
151.07422	0.2
165.82733	0.2
184.07329	100.0
185.07648	0.5
193.12265	0.2
213.47574	0.2
267.15781	0.6
337.27139	0.7
443.97742	0.2
529.39069	0.9
547.39734	0.2
642.65320	0.2
712.45410	4.9
713.45905	0.3
762.38922	0.3
763.39789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55937	0.1
55.05508	0.4
56.05030	0.6
58.06630	0.5
59.07396	0.3
60.08163	5.5
67.05501	0.9
69.07076	0.2
71.07372	3.1
71.49932	0.2
71.50275	0.2
72.65961	0.1
74.00556	0.1
79.05479	0.4
81.03420	0.2
81.07046	0.7
83.08621	0.3
86.09702	28.3
91.03124	0.1
91.05453	0.5
93.07050	0.4
95.08607	0.4
98.98457	2.9
104.10742	1.6
105.07013	0.2
107.08595	0.2
109.10132	0.2
117.06989	0.1
119.08551	0.2
121.10125	0.3
125.00000	19.3
131.08513	0.2
143.01027	0.4
147.04478	0.6
148.04793	0.2
157.10182	0.1
184.07335	100.0
185.07649	0.7
202.77734	0.1
267.16003	0.3
312.91458	0.1
337.27399	0.3
354.69055	0.1
420.38336	0.1
529.38422	0.2
543.36121	0.1
712.45422	4.1
713.45612	0.2
762.39532	0.3
763.41260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
55.05502	3.7
57.03436	2.5
61.02921	5.4
67.05499	8.5
69.03416	3.8
69.07065	4.9
70.28579	0.8
70.77332	0.8
71.70083	1.3
73.02904	3.0
73.15436	0.8
79.05489	7.1
81.03427	5.0
81.07047	9.5
83.04966	2.4
83.08605	2.4
85.02887	4.8
91.03954	2.5
91.05465	8.7
91.23747	0.9
93.07019	7.6
95.04969	2.3
95.08599	3.8
97.02890	4.7
97.06525	2.9
97.10164	1.3
101.02365	1.6
105.07040	4.2
107.04934	1.5
107.08603	5.0
109.02898	1.7
109.06525	0.9
109.10141	1.8
117.07037	2.0
119.08569	1.7
121.10146	2.1
123.08099	1.3
125.09647	1.0
127.03939	2.4
131.04985	1.2
131.08577	3.8
133.10115	2.7
135.08041	1.1
135.11647	1.4
145.06395	1.0
145.10187	1.7
147.04419	2.8
159.11743	1.9
169.10049	1.1
184.07387	2.9
195.13791	1.3
223.13411	1.4
233.15407	1.3
243.08507	3.0
269.17636	1.1
275.20105	1.2
285.10141	2.1
291.19531	1.9
307.18903	1.3
331.18893	2.0
453.20984	8.7
501.31903	1.4
549.26471	6.8
568.71368	1.0
761.40698	100.0
762.40613	8.2
775.32050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.01872	1.9
55.05514	1.6
57.03437	3.1
59.05006	1.4
61.02922	6.3
65.03943	1.6
67.01854	3.9
67.05501	5.0
68.99789	1.1
69.03428	9.1
69.07063	1.8
71.01346	0.9
71.04985	5.4
71.70484	0.9
71.70877	1.0
73.02895	4.3
73.28143	0.7
78.36017	0.8
79.05481	4.7
81.03410	14.6
81.07047	4.5
83.04950	1.7
83.08614	2.1
85.02897	7.8
85.06546	1.0
89.03917	1.6
91.03957	2.4
91.05472	13.3
93.07028	4.1
95.04948	4.1
95.08625	1.6
97.02883	37.2
97.06534	1.7
98.03234	0.9
99.04470	3.8
101.02395	2.3
103.05477	0.9
105.03448	0.8
105.07014	4.4
107.04973	3.0
107.08581	2.3
109.02869	10.8
109.06525	1.5
111.04434	1.2
111.08037	0.8
114.51711	0.7
117.03374	6.1
117.07026	0.8
118.04210	2.8
119.04937	15.2
119.05738	1.0
119.08580	3.7
121.10156	3.0
123.04457	2.0
127.03905	24.2
129.07034	1.7
131.04906	5.1
131.08588	3.2
133.02855	7.6
133.10156	1.4
135.04407	0.9
137.06007	2.5
139.03885	1.8
145.02815	6.1
145.04977	1.5
145.06500	1.3
146.03625	12.0
146.04663	0.8
147.04399	41.0
147.11725	1.7
148.04749	1.8
149.05956	1.5
149.09590	4.1
151.03870	5.4
151.07593	1.0
153.01842	1.8
157.10167	2.4
161.02357	1.1
161.05968	0.9
163.03963	1.6
163.07602	1.6
164.04724	2.0
165.05490	0.8
167.07040	5.6
173.05923	1.0
175.11211	1.8
179.03398	5.2
181.05011	3.1
189.05501	1.2
191.07028	4.0
193.12233	4.1
207.06525	1.0
225.14815	1.4
235.07468	1.5
243.08511	3.1
263.07010	3.4
263.35440	0.7
267.15979	2.0
283.06396	1.4
283.15128	7.2
287.05554	1.6
291.06491	14.2
291.09543	0.8
292.06696	1.4
309.07553	33.0
310.07968	2.8
339.17911	2.9
385.12601	0.8
417.09842	0.9
435.10886	1.8
453.11636	7.1
469.20255	1.3
489.79562	0.8
501.23068	31.0
502.23480	1.0
535.20239	1.1
565.20795	3.1
566.21033	1.1
599.33124	1.0
633.34692	1.0
761.39252	100.0
762.39404	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	761.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
57.03424	1.0
63.26286	0.7
68.99775	2.8
69.03412	1.9
71.40728	0.9
71.41067	1.6
73.02919	0.9
73.31126	0.8
77.89985	0.8
79.05506	1.1
81.03410	1.6
81.54800	0.8
82.51797	0.7
85.02890	6.5
91.47332	0.8
95.04942	1.6
97.02876	2.9
103.03925	0.8
107.04945	100.0
109.02857	1.3
121.02827	0.9
123.04398	2.1
123.71886	0.9
127.03902	11.3
131.04919	1.5
137.02333	2.3
137.05865	0.8
139.03903	6.8
143.03371	1.6
145.05040	0.8
145.06438	1.0
147.04439	2.3
149.02263	0.8
151.03865	5.1
153.00627	1.5
153.01808	14.3
153.02945	1.3
155.03366	0.9
159.04378	1.7
161.05962	1.8
163.03859	3.0
167.07011	1.0
171.04352	1.6
173.05913	1.6
175.03926	4.3
177.05457	2.9
179.03366	4.8
181.04971	2.3
187.03841	1.6
189.05443	2.3
191.03409	1.8
193.04942	3.4
199.03796	1.9
201.05441	2.2
203.03372	3.4
205.04887	5.8
206.79805	0.8
213.05405	1.9
217.04941	7.4
219.03036	1.3
219.06516	2.6
221.04427	1.3
223.05925	1.9
225.05455	0.9
229.04947	2.3
231.06470	2.9
233.04448	1.1
235.05966	4.9
241.04947	2.6
243.06445	1.8
245.04439	4.5
245.08057	1.0
247.06007	4.6
253.04912	1.0
255.06354	1.3
257.04440	1.6
259.05997	7.6
263.05466	2.9
269.04507	1.5
271.05927	3.3
273.04037	0.9
273.07654	1.4
275.05719	1.0
277.07043	2.2
283.05908	2.8
285.07574	1.1
287.05490	16.4
287.08804	1.7
288.05606	0.9
289.07074	2.5
299.05533	2.7
299.09015	1.4
301.07043	4.6
303.04929	1.1
305.06375	1.4
311.05643	1.0
311.09222	2.5
313.06934	2.1
317.10220	1.7
323.09158	1.0
325.06894	2.4
329.10156	4.5
337.52957	0.9
341.10263	8.1
345.19589	0.8
353.10226	4.8
359.11304	1.6
365.10284	4.0
377.10129	2.1
383.11215	11.3
389.09995	2.1
395.11252	8.4
405.05969	1.1
407.11353	6.9
413.12305	1.6
419.11340	4.6
423.06601	2.7
425.12369	4.1
431.13550	9.1
441.07913	1.3
443.13104	4.7
449.12375	5.6
461.14465	5.7
465.08334	1.2
467.13290	3.5
473.12482	1.8
479.13480	2.8
485.14423	5.9
497.14438	5.6
509.14331	2.9
527.14984	3.1
545.16321	3.5
563.17163	2.3
583.78900	0.9
586.79584	0.8
757.30591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28351	0.8
64.55901	0.8
65.03921	0.9
68.99787	12.1
69.03426	0.8
69.57923	1.5
69.58311	6.9
79.01831	3.4
81.03397	2.3
85.15564	0.7
95.04971	1.0
98.20757	1.3
99.04459	1.2
107.01306	1.0
107.04932	1.1
109.02846	5.9
111.00793	14.4
111.04456	1.1
114.05517	1.5
115.05426	1.1
119.04905	1.2
119.59020	0.7
123.04411	11.2
125.02326	4.3
127.03902	82.4
131.04921	1.9
133.02849	3.6
135.04384	0.8
137.02324	1.2
139.03889	30.2
143.03386	5.8
145.06447	1.8
147.04362	6.5
149.02325	2.8
151.03893	28.7
153.01817	73.3
153.02858	2.9
154.02127	1.5
155.03401	6.2
155.04630	1.0
157.02840	0.9
157.06485	0.9
159.04404	2.2
161.02333	1.3
163.03871	4.8
165.05522	1.0
167.04988	0.9
169.06433	1.0
171.04414	3.3
173.06010	2.4
175.03888	14.5
177.05457	8.6
179.03378	47.2
181.06435	1.0
185.05948	2.3
189.05461	3.1
191.03394	2.0
193.04903	1.2
197.05991	1.7
199.03894	7.9
201.05481	4.0
203.03377	22.4
205.04935	1.2
211.03995	0.9
213.05476	6.2
216.03975	0.8
217.04961	8.5
219.03006	1.2
219.06479	2.9
221.04532	1.5
223.02159	0.8
227.03360	2.4
229.05028	2.8
231.06520	2.2
237.05374	1.5
241.04878	5.5
243.03128	1.0
245.04443	25.2
246.04802	0.9
253.04842	1.4
257.04483	3.8
259.06003	4.1
261.03992	0.8
263.05469	31.6
264.05853	1.1
269.04437	11.2
271.05884	1.6
273.03922	1.3
275.05368	3.9
277.07227	1.1
281.04492	1.4
283.05942	1.4
285.03870	2.5
287.05469	100.0
288.05746	3.9
289.07184	2.1
293.04517	2.4
295.06125	0.9
297.04099	1.5
299.05426	8.2
303.04901	5.1
305.06528	25.4
311.05551	5.0
315.05035	1.1
317.06619	1.9
321.04071	1.8
321.07544	3.1
327.04868	1.5
327.30408	1.0
329.06552	3.5
331.04550	6.1
339.04980	2.4
349.07083	3.9
361.07123	1.1
377.06549	1.7
379.08249	1.0
381.06012	1.7
389.06305	1.1
395.07983	1.1
405.06113	11.6
407.07547	1.8
413.08331	2.4
417.06024	1.3
423.07092	18.4
425.08664	1.2
435.07098	7.9
437.08746	1.9
441.08035	3.6
447.07019	6.7
457.07529	4.2
465.08099	5.0
573.09900	3.2
591.11267	1.0
727.69031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.8
55.01855	1.2
57.80965	0.4
63.85835	0.4
65.03925	0.9
67.01850	0.6
67.05504	0.7
68.99405	0.9
68.99780	14.7
69.41508	2.9
69.41937	2.0
75.67702	0.5
77.40459	0.4
79.01846	5.6
81.03408	4.0
85.02896	0.7
91.05464	0.9
95.04962	1.6
97.02895	1.2
99.04417	1.0
99.24934	0.4
105.03390	2.0
107.01324	0.9
107.04935	1.0
109.02863	6.6
111.00790	16.4
115.05465	1.1
115.20295	0.5
117.06999	0.5
119.04939	0.9
121.02864	1.1
122.24412	0.5
123.04420	11.9
124.28843	0.5
125.02325	4.0
127.03899	98.1
128.04233	1.3
131.04912	1.7
133.02843	5.2
135.04404	1.8
137.02347	1.3
139.03880	27.7
139.92210	0.4
140.04256	0.7
141.07039	0.6
143.02368	0.9
143.03377	7.9
145.02859	0.7
145.06503	1.1
147.04390	7.3
149.02356	4.0
150.03059	0.7
151.03888	39.0
152.04211	0.5
153.01808	81.3
154.02156	2.0
155.03365	6.0
155.04599	0.7
157.02820	0.9
157.06512	1.5
159.04382	3.6
161.02304	1.3
161.05977	1.9
163.03920	4.4
165.05405	0.8
167.03395	0.7
167.04840	0.5
169.06409	0.5
171.04349	4.3
173.02405	0.5
173.05984	2.1
175.03882	19.6
176.04173	0.5
177.01883	1.0
177.05452	9.7
179.03372	54.6
180.03725	1.2
181.06517	0.7
183.04434	1.3
185.05974	1.8
189.05472	3.2
191.03377	2.1
193.04953	1.5
197.05920	1.2
199.03880	10.3
201.05420	6.5
203.03366	24.7
204.03592	0.7
205.01205	0.5
205.04964	1.8
211.03778	0.8
213.05434	8.1
215.03291	0.9
216.04240	0.6
217.04936	9.0
219.02852	1.5
219.06470	3.7
221.04416	1.2
223.02321	1.6
225.05472	1.1
227.03409	2.6
228.93590	0.5
229.04932	3.6
231.06422	2.6
235.05930	1.2
237.05406	1.6
241.04909	5.8
242.05809	0.6
243.02998	0.6
245.04427	26.5
246.04799	1.3
247.02328	0.7
247.05844	1.1
251.03448	0.5
253.04993	0.7
255.06615	0.9
257.04437	3.7
258.05142	0.7
259.05991	3.8
261.03912	0.7
263.05460	31.3
264.05850	1.1
265.04959	1.7
269.04413	9.1
270.04980	0.8
271.02478	0.6
271.05838	0.6
273.03891	2.1
275.05405	4.0
277.07007	2.6
279.06479	0.7
281.04471	1.1
283.05984	1.3
285.03839	2.2
286.04794	1.1
287.05460	100.0
288.05792	4.5
289.07083	1.4
293.04504	1.7
295.05933	1.2
297.03857	1.0
299.05386	7.2
303.04898	6.6
305.06503	28.5
306.06946	0.9
307.06015	1.1
311.05484	4.4
315.04907	0.7
317.06491	3.0
319.06168	0.8
321.03882	2.4
321.07544	5.0
327.04971	1.2
329.06531	3.6
331.04358	6.1
333.07678	0.7
337.07025	1.3
339.04947	2.8
349.06915	3.4
363.05121	1.0
377.06714	1.4
381.06076	0.8
387.05063	0.7
395.07538	0.6
405.06036	12.8
406.06366	0.8
413.08435	1.7
417.06119	0.7
419.07422	0.6
423.07053	17.3
424.07343	0.8
435.07080	5.3
437.08405	1.6
441.08139	3.2
447.07028	6.0
448.07507	0.7
457.07748	3.9
465.08069	5.9
555.09271	0.9
573.10223	2.8
591.11072	0.8
593.08881	1.1
709.14874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
54.54405	1.3
55.01859	3.8
55.05505	20.7
57.03430	19.1
57.07061	1.6
57.84229	1.3
60.08146	3.9
61.02913	4.9
62.08152	1.2
65.03943	3.4
66.59950	1.1
67.05498	67.1
68.05829	2.4
68.54837	1.1
69.03410	4.2
69.07060	18.5
69.45770	5.3
69.46202	7.1
71.01337	1.7
71.04954	3.0
71.07352	2.4
71.08592	1.1
73.02909	2.9
77.03887	1.3
79.05030	2.1
79.05486	47.7
81.03410	79.4
81.07047	70.2
82.03726	1.3
82.07391	1.9
83.04965	6.0
83.08609	22.1
83.69487	1.3
85.02898	5.7
85.06545	1.5
86.09702	19.6
91.03938	3.8
91.04566	1.2
91.05470	43.6
93.07036	52.6
94.07365	1.7
95.04960	29.5
95.08594	45.4
97.02876	5.3
97.06525	7.0
97.10167	7.2
98.21481	2.0
98.98432	2.1
99.08068	1.6
101.02338	2.2
105.07022	30.5
107.04942	7.9
107.08585	31.7
108.08933	1.5
109.06488	7.8
109.10141	24.2
111.04456	2.3
111.08080	7.5
117.07011	10.3
119.04936	2.7
119.08566	24.4
120.08992	1.3
121.06484	4.5
121.10135	28.5
123.08043	4.2
123.11675	8.0
124.99985	12.5
125.09633	3.5
129.06982	8.5
131.08575	18.5
133.06454	4.5
133.10114	20.3
135.08023	2.4
135.11679	13.2
137.09612	2.7
137.13229	2.2
139.11171	2.0
142.07784	1.4
143.08569	3.4
145.06358	1.9
145.10110	11.9
147.04385	4.4
147.07979	3.7
147.11658	17.0
149.09625	5.3
149.13260	9.4
151.11191	1.8
155.08482	2.1
157.10115	13.0
159.11717	8.7
161.09587	1.8
161.13278	6.6
163.11162	2.4
163.14810	3.8
165.12730	2.7
169.10149	2.1
171.11685	3.9
173.13211	7.0
175.11226	7.7
175.14818	3.4
177.12755	2.0
177.16333	2.1
184.07323	66.4
185.13220	1.9
187.14853	4.2
189.11176	3.0
193.12218	21.9
195.13712	1.3
211.13269	3.4
227.12727	7.3
235.13193	1.8
243.08429	2.3
243.21114	6.7
249.14906	2.1
259.20508	2.2
261.22107	20.6
267.15894	100.0
268.16302	2.6
269.17493	2.5
279.23218	3.0
285.16940	4.9
285.22159	1.6
301.25281	6.1
309.16953	2.8
317.24780	3.5
331.18796	1.6
335.25766	81.9
336.26083	4.8
377.22400	1.6
421.25467	2.2
435.27191	2.3
435.32553	4.9
453.20953	8.6
453.33557	6.7
466.20923	1.5
471.34628	6.6
509.36359	2.9
527.37244	58.1
528.37592	4.1
545.30261	2.5
545.38312	45.6
546.38354	4.2
549.26746	1.7
563.39203	3.7
569.38184	2.9
642.17004	1.5
663.32800	2.2
710.43604	3.6
743.38843	4.9
760.43073	14.0
761.40686	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
54.06887	3.5
55.01851	4.6
55.05510	21.5
57.03428	15.2
57.07077	5.8
61.02922	5.1
62.64778	3.2
62.98759	3.6
65.03951	3.8
67.05504	96.5
69.03439	7.0
69.07072	30.0
71.04990	22.7
71.08638	8.7
71.70094	5.4
76.94896	3.4
79.05493	68.7
81.03410	13.8
81.07055	96.8
83.04989	12.8
83.08621	22.8
85.02901	8.6
85.06549	5.9
86.09701	34.1
91.05482	53.1
93.07045	80.0
95.04965	17.6
95.08599	45.4
96.93059	4.6
97.02895	8.4
97.06528	13.6
97.10189	5.9
99.08092	13.0
104.10732	4.6
105.07038	48.8
107.08600	45.7
109.06543	5.0
109.10152	28.8
111.08092	11.5
113.29389	3.7
117.07030	16.6
119.08577	26.5
121.06455	5.1
121.10161	25.8
123.08093	8.6
123.11707	6.9
125.00003	18.1
127.03900	6.0
129.06998	9.6
131.08556	18.1
133.10110	28.2
135.11722	25.1
135.12625	4.5
137.09622	5.8
143.08527	8.6
145.10115	16.4
147.11710	21.0
148.89839	4.1
149.09601	5.4
149.13242	34.4
151.07475	4.2
151.11195	15.2
155.08492	5.3
157.10086	8.6
159.11710	23.3
161.13293	13.0
163.11174	7.8
165.12677	5.3
169.10106	3.7
171.11743	6.7
173.13229	8.7
175.11147	3.9
177.12755	5.2
179.14310	5.7
179.36041	3.7
181.12251	3.7
183.11816	3.5
184.07344	100.0
185.13290	5.2
195.13820	12.4
213.14836	3.5
221.15407	4.2
227.12688	7.3
241.19637	6.4
250.32449	4.0
259.20566	17.4
269.17484	66.3
270.17987	4.6
277.21625	10.5
287.18558	11.5
333.24274	16.1
351.25314	15.2
463.30634	99.4
464.31354	6.0
487.34335	33.1
513.35754	14.2
545.38464	37.8
563.38831	5.1
677.08295	4.0
760.43805	12.2
761.40668	59.1
785.83929	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	758.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01855	1.1
55.05505	16.2
55.44022	0.8
56.16523	1.0
56.21551	0.7
57.03438	5.9
57.07060	2.3
59.05003	1.1
61.02900	2.1
63.16251	0.8
63.75006	0.7
65.03938	1.6
67.05499	64.9
69.03413	2.3
69.07063	10.7
70.03495	1.5
70.03900	3.1
71.04988	19.1
72.05750	0.8
79.05488	36.3
81.03415	0.9
81.07051	88.7
82.07391	1.1
83.04984	4.6
83.08614	7.5
85.02885	1.4
85.06538	7.5
91.04935	1.7
91.05476	24.0
93.06442	2.0
93.07036	37.9
95.04977	4.3
95.08599	23.5
97.02883	1.8
97.06519	3.0
97.10186	1.3
99.08086	1.3
105.04573	0.9
105.07026	15.2
107.08588	19.4
109.10152	10.3
111.08085	2.3
117.07010	3.1
119.08558	6.8
121.10132	14.6
123.08015	1.0
123.11694	10.9
131.08530	8.5
133.10132	14.9
135.11688	8.4
142.54643	0.8
145.10110	3.8
147.11682	3.1
149.13254	3.5
151.11153	5.8
159.11707	5.6
161.13222	2.2
169.12279	1.1
173.13242	1.9
177.12721	1.5
183.13811	3.2
187.13254	3.9
187.14807	1.8
195.13806	2.0
257.17542	1.3
261.22122	2.8
269.17462	5.2
301.20059	14.6
335.25781	35.5
336.26071	1.8
395.36124	1.0
429.33768	1.0
467.72507	0.9
485.36179	3.0
503.37277	100.0
504.37564	7.6
517.39032	4.9
529.38800	12.2
561.41449	92.6
562.42059	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	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
55.01865	9.0
55.05279	1.9
55.05509	21.9
56.56043	1.4
57.03440	10.6
57.07061	3.4
59.04995	1.7
61.02912	2.6
65.03928	2.7
67.05500	68.0
67.05858	3.7
68.61414	1.5
69.03412	4.9
69.06709	1.7
69.07064	29.4
70.27531	7.3
71.04976	5.5
79.05038	2.3
79.05486	52.7
81.03418	9.5
81.07051	93.9
83.04992	9.3
83.08607	18.0
85.02894	4.9
85.06508	4.5
91.03951	1.9
91.04943	3.1
91.05473	39.3
93.07039	70.7
95.04986	11.1
95.08604	29.5
97.02895	3.2
97.06525	18.4
97.10149	4.7
98.21360	2.0
99.04411	1.8
99.08074	5.2
105.07027	23.4
107.04945	5.4
107.08585	45.8
109.06506	5.6
109.10152	7.8
111.08057	6.7
113.09601	2.1
117.07007	14.2
119.08552	14.7
121.06501	4.3
121.10136	24.8
123.08047	3.2
123.11695	4.7
125.09609	3.0
127.03934	2.8
129.07022	2.4
131.08549	16.5
133.06483	2.3
133.10117	19.9
135.07999	3.3
135.11674	14.8
137.09587	1.8
143.08522	2.7
145.10133	11.4
147.11661	7.4
149.09587	10.6
149.13242	31.7
157.10120	4.1
159.11697	18.3
161.13251	2.6
163.11192	6.6
165.12715	2.1
169.10036	3.0
171.11690	2.9
173.04364	2.7
173.13219	4.5
177.12656	7.7
183.11771	1.6
189.11194	1.8
189.12703	1.9
195.13788	17.1
213.14804	1.7
227.12761	4.7
247.20566	2.8
251.16304	2.3
255.15886	5.6
257.18961	8.0
267.15872	2.6
269.17456	87.1
270.17795	2.4
275.20074	26.4
293.20889	1.6
328.46796	1.9
331.22766	1.6
340.58276	1.5
349.23810	21.3
367.24561	3.5
423.27155	2.2
439.26746	2.2
449.23221	3.2
449.28983	33.7
463.30536	100.0
464.30911	3.3
503.33502	4.5
543.36780	39.6
544.37085	1.8
561.37805	7.6
606.29852	1.9
607.34650	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01862	4.1
55.05507	16.6
57.03433	10.8
57.07074	2.9
59.04978	1.0
61.02916	2.8
65.03919	3.2
67.05498	57.0
69.03432	5.1
69.07063	22.3
70.15781	4.1
71.04983	5.5
72.89175	0.9
73.02911	1.9
74.13458	1.1
75.10036	0.9
76.64942	1.1
79.05486	39.7
81.03405	9.4
81.07050	77.4
83.04979	9.8
83.08611	16.1
85.02901	6.3
85.06532	3.8
91.05036	0.7
91.05469	31.9
93.07037	53.9
95.04957	9.2
95.08594	25.2
97.02879	3.3
97.06515	10.6
97.10168	3.1
99.08077	2.5
105.07017	17.8
107.04948	3.4
107.08586	33.3
109.06509	4.2
109.10140	6.2
111.04391	1.3
111.08054	6.1
115.05407	1.1
117.07002	11.6
119.08561	14.6
121.06482	4.1
121.10123	15.1
123.08040	3.1
123.11700	3.6
125.09599	1.4
127.03843	1.3
127.30042	0.9
129.07018	3.8
131.08556	13.5
133.10117	19.8
135.08031	3.3
135.11679	14.9
135.24570	1.2
139.11177	1.3
143.08508	1.4
145.06259	0.9
145.10129	5.5
147.10634	1.0
147.11612	7.1
149.09586	5.3
149.13242	19.6
151.11166	2.8
155.08627	1.4
157.10104	2.9
159.11664	12.4
161.13251	2.9
163.11198	3.2
165.12764	1.4
173.13199	1.7
177.12727	5.3
179.14322	1.9
184.07317	2.1
185.13277	1.7
187.14806	1.1
189.11082	1.3
195.13788	15.0
211.13177	1.4
213.14781	3.3
227.12965	1.1
239.17912	1.1
251.16418	3.0
253.14359	1.4
255.15930	3.7
257.18942	4.3
259.20590	2.0
267.15994	2.1
269.17453	69.5
270.17670	2.0
275.20026	13.6
285.16949	3.6
293.21027	1.6
297.17096	1.5
331.22467	1.5
333.24231	2.0
349.23767	12.9
351.25107	2.0
367.24826	2.9
399.07220	1.3
445.29492	1.9
449.29053	21.9
463.30521	100.0
464.30820	3.5
543.36792	22.6
561.38000	8.0
607.34497	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	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.6
55.01866	6.0
55.05505	22.4
57.03170	1.0
57.03432	14.7
57.07056	1.7
61.02909	2.8
62.37565	1.0
62.86097	1.1
65.03922	4.2
67.05499	69.0
68.54317	1.0
69.03423	4.8
69.07065	29.7
69.63721	8.1
71.04985	7.0
73.02899	2.8
79.05485	51.2
81.03413	10.1
81.07048	100.0
82.07413	0.9
83.04977	11.9
83.08610	15.8
85.02900	5.8
85.06509	4.4
86.09682	1.7
91.05472	40.9
93.07036	70.0
94.07344	1.5
95.04955	11.1
95.08595	28.7
97.02882	4.0
97.06510	13.9
97.10145	6.0
98.86974	0.9
99.04461	2.0
99.08083	3.6
103.05447	1.4
105.06345	1.7
105.07018	25.0
107.04953	4.6
107.08585	40.6
109.06505	5.5
109.10148	9.4
111.08070	6.4
113.06004	1.2
113.09637	1.3
115.05463	1.5
117.07008	14.7
119.08572	12.7
121.06490	2.6
121.10132	20.1
123.08057	3.3
123.11694	5.7
124.99979	1.6
125.09613	2.0
127.03887	2.8
129.06987	3.4
130.07785	1.0
131.08548	17.1
131.09470	1.5
133.06476	1.9
133.09193	1.8
133.10126	24.9
135.08043	3.4
135.11682	16.4
136.53989	1.0
137.09662	1.8
139.11148	1.2
141.06981	1.5
143.08563	4.5
145.10124	8.7
147.11671	6.4
149.09624	7.9
149.13242	24.4
149.57936	1.0
151.11183	3.7
157.10103	3.4
159.11685	13.1
161.13258	2.5
163.11162	5.0
165.12685	1.3
167.14346	1.1
169.10037	1.3
171.11647	2.8
173.04443	2.1
173.09712	1.1
173.13269	2.5
173.52350	1.0
175.11322	1.4
177.12727	6.6
179.14253	1.5
183.11673	1.4
184.07333	6.3
185.13191	1.4
187.11324	0.9
187.14824	1.8
195.13809	16.3
197.13232	1.7
211.14885	1.1
213.14832	3.9
217.78140	0.9
227.12798	3.6
239.17976	2.5
251.16449	2.9
255.15752	4.4
257.18967	5.3
267.15872	2.8
269.17456	73.9
270.17828	2.3
275.20081	16.5
331.22665	1.3
349.23743	17.7
350.23831	1.2
365.23639	1.5
367.24951	2.2
413.21655	1.3
439.27167	1.4
445.29114	1.4
449.29004	22.6
463.30536	92.3
464.31226	5.1
483.85431	1.2
503.33505	3.4
515.37354	1.9
543.36707	25.9
544.37097	1.2
561.37561	6.2
607.34528	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01860	7.0
55.04153	1.5
55.05507	27.5
55.61480	1.4
57.03430	19.7
57.07067	2.6
61.02914	5.9
61.69041	1.7
65.03909	3.9
67.05502	87.7
69.03416	6.9
69.07066	36.2
70.25440	5.9
71.04980	7.1
71.08602	1.8
73.02899	3.5
77.03889	1.9
79.05488	68.4
81.03413	14.9
81.07053	100.0
82.04159	1.7
83.04972	13.0
83.08614	17.8
85.02893	9.9
85.06522	5.4
89.85022	1.6
91.03939	3.5
91.05475	68.2
93.07040	75.5
94.04163	2.3
95.04962	17.8
95.08602	43.7
97.02894	9.9
97.06513	15.5
97.10153	7.1
97.10799	1.6
99.04444	3.5
99.08076	4.3
101.92086	1.4
103.05481	2.1
105.07025	45.2
105.65340	1.6
107.04943	11.6
107.08588	39.4
109.02905	2.0
109.06520	6.8
109.10133	16.7
111.04403	4.0
111.08085	8.4
116.04711	2.0
117.07026	19.0
119.04975	2.4
119.08569	25.5
121.06493	8.0
121.10129	26.2
123.08096	7.5
123.11705	5.9
124.59726	1.6
125.09589	5.4
127.03944	3.7
128.06215	2.2
129.05505	10.0
129.06996	9.0
130.07854	1.8
131.08571	24.6
133.10115	27.6
135.08028	5.4
135.11681	20.4
137.09592	3.7
137.13307	1.9
139.11234	1.9
139.77481	1.6
141.06937	2.2
141.40445	1.6
142.28072	1.5
143.08577	8.3
145.06483	2.0
145.10110	18.5
147.04384	4.1
147.08025	3.1
147.11664	15.4
149.02313	2.0
149.09642	7.5
149.13252	16.6
151.11191	4.4
155.08539	4.0
157.08531	1.4
157.10117	6.3
158.81383	1.9
159.08096	1.8
159.11714	15.1
161.09590	2.9
161.13237	5.8
163.11151	12.2
169.10158	3.0
171.11697	8.4
173.09650	2.3
173.13240	8.4
175.11195	2.0
177.12718	5.2
179.14311	2.6
181.12251	3.2
184.07344	1.9
185.11636	3.1
185.13242	3.7
187.14784	1.8
189.12776	2.7
191.10687	3.1
195.13849	13.4
197.13261	2.1
207.13747	3.9
209.11729	10.7
227.12762	7.3
239.17970	1.9
241.14398	2.2
241.17842	2.5
257.18982	3.4
259.20554	5.8
261.22095	5.8
267.15964	3.5
269.17484	41.7
275.20056	11.9
280.16898	2.0
281.17429	8.5
283.15323	12.8
293.17560	2.0
299.06036	1.7
301.16492	13.2
315.19440	2.0
315.23129	3.4
333.24146	7.7
335.25748	27.5
349.23660	10.7
351.25208	1.9
385.49521	1.7
423.32584	3.7
433.30865	2.1
438.69189	1.8
446.30072	7.9
463.30557	26.6
475.30380	10.4
515.37427	7.5
525.35626	3.4
527.36987	4.9
543.36871	22.2
544.38281	1.8
552.24005	1.8
561.37744	16.0
670.22363	1.7
758.41577	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	757.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83944	0.8
57.03429	2.0
57.07061	2.7
61.02915	5.8
67.05498	3.2
68.57426	0.9
69.03418	3.5
69.38705	9.9
71.04987	1.2
71.08637	2.7
73.02914	4.7
79.05510	1.2
81.03403	2.7
81.07052	4.2
83.08617	1.0
85.02891	5.7
85.10179	1.2
86.63316	1.0
91.03962	3.3
91.05486	2.1
95.04985	1.8
95.08611	3.1
97.02880	4.7
101.02415	2.2
105.07044	1.7
107.08605	1.8
109.02927	1.6
109.10160	0.9
119.08572	1.6
121.10115	1.1
127.03942	1.7
131.08543	1.1
143.82208	0.9
147.11719	1.0
149.09647	1.5
157.10153	1.1
184.07413	1.0
193.12282	1.7
243.08279	1.9
283.15234	5.5
351.30408	1.0
384.08096	1.1
497.30704	5.9
501.22992	10.7
757.47034	100.0
758.47900	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	757.2182
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01869	1.1
55.05507	5.7
56.23420	1.1
57.03431	12.6
58.99590	1.4
61.02938	1.4
67.05496	1.1
68.99796	2.4
69.03100	1.4
69.03425	13.5
71.01338	1.4
71.04987	78.6
71.71203	1.8
73.02918	8.6
75.04478	6.5
81.03398	2.4
81.07043	2.1
83.04974	22.2
85.02898	100.0
87.04472	1.9
88.45479	1.2
91.05426	1.1
93.07039	1.2
94.16858	1.1
95.04952	3.8
97.02876	1.9
99.04425	4.9
101.06000	1.5
109.02869	4.0
111.00792	2.9
111.04440	19.1
113.06003	3.1
116.01645	1.4
117.05489	7.5
117.07134	1.1
119.04942	2.7
121.02817	1.8
121.06483	1.1
123.04426	2.1
127.03909	13.3
129.05466	28.4
137.02322	4.0
137.30498	1.1
139.03885	23.2
147.04427	7.3
147.06494	7.2
151.03896	4.4
153.01808	13.9
153.05452	3.9
155.03381	2.0
157.04922	1.4
163.03838	2.9
163.06010	8.5
165.01857	4.9
167.03416	1.4
171.06567	2.9
175.03929	1.9
177.05446	1.5
179.03452	8.1
179.04762	1.9
186.12749	1.4
187.03825	1.2
187.87074	1.2
191.03447	1.8
195.02844	2.6
201.05441	2.3
201.07550	2.8
203.03349	2.9
205.05060	1.7
213.05443	1.3
217.04959	1.8
219.02928	1.6
229.04970	2.3
239.09164	7.4
245.04469	5.4
257.04456	4.8
257.10281	2.2
259.06036	1.4
263.05408	3.3
273.03940	3.0
275.05557	1.5
275.11282	3.4
285.03973	1.8
287.05490	7.9
289.07178	1.4
297.04227	1.3
299.05487	4.1
301.03528	1.6
303.04971	74.5
304.05450	1.6
307.68854	1.1
315.04892	4.7
317.06604	2.9
318.03409	1.6
319.04471	67.3
331.04437	23.8
343.04401	8.1
345.06119	3.3
355.03961	1.5
357.05942	3.8
361.05499	43.2
369.05991	2.9
383.07639	1.8
385.05423	12.3
403.06314	2.0
411.06876	7.4
425.08667	2.7
429.08160	14.7
447.09177	13.1
449.10614	3.8
465.10284	40.1
471.09207	1.9
489.10541	1.7
507.11139	2.8
557.12732	1.6
575.13928	2.8
593.14624	1.6
611.16010	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	757.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.6
53.03941	0.6
55.01862	1.1
63.03532	0.4
65.03940	1.7
67.05499	0.7
68.89796	0.4
68.99781	5.4
71.62257	0.7
80.51883	0.4
80.59692	0.4
81.03407	2.3
81.85272	0.4
91.05467	4.1
94.00280	0.4
95.04990	1.1
97.04974	0.4
99.04460	0.5
102.86224	0.5
105.03355	0.8
107.04949	0.7
109.02861	3.6
111.00803	5.4
111.04452	1.0
119.04926	7.6
121.02879	1.8
123.04414	7.9
127.03904	53.5
131.04913	0.6
133.02820	2.0
135.04387	1.1
137.05888	0.4
139.03886	100.0
140.04221	1.1
145.06374	0.7
147.04391	34.0
149.02338	1.8
149.05992	0.9
151.03889	27.6
153.01823	0.8
155.03384	2.5
155.04651	0.4
157.06470	1.1
159.04407	1.1
161.02335	0.6
161.05960	1.2
162.02126	0.4
163.03879	7.5
165.05473	1.8
167.03381	2.7
169.06459	0.6
171.04367	1.5
173.06035	0.6
175.03889	7.0
177.05431	3.5
179.03375	25.2
179.06898	0.7
181.04984	0.7
183.04399	0.7
185.05930	0.9
187.03850	1.3
189.05472	2.1
191.03378	3.9
191.06979	0.5
193.04910	3.5
197.05940	1.1
199.03853	1.6
201.05447	2.3
203.03380	11.1
205.04922	4.3
213.05447	2.9
215.03275	0.6
217.04974	3.4
219.06384	0.4
223.02325	0.8
225.05412	0.8
227.03259	0.5
229.04974	2.6
231.06517	2.4
233.04410	2.8
241.04898	1.5
242.95262	0.4
243.06508	0.9
245.04468	8.2
247.05951	0.8
247.17303	0.4
251.05455	0.7
253.04936	1.2
255.06532	0.5
257.04413	6.7
259.05893	2.4
263.05487	17.2
263.08273	1.0
269.04495	3.7
271.05933	2.7
275.05502	7.4
277.07010	1.5
281.04608	0.5
287.05472	30.8
288.05679	0.7
289.07043	10.5
297.07593	0.5
299.05466	20.3
301.06903	0.8
303.04742	0.7
305.03485	0.6
305.06540	6.6
310.99661	0.5
311.05405	0.8
313.06879	0.7
317.06537	12.6
321.07401	0.6
323.05399	1.2
331.25964	0.4
341.06406	0.6
389.06519	0.7
395.07208	0.6
407.07565	5.6
412.60156	0.4
425.08646	19.4
426.08606	1.2
437.08502	1.2
443.09619	2.9
448.21869	0.5
449.08713	0.7
467.09521	0.7
511.65060	0.5
516.63446	0.4
589.12555	0.5
593.12860	0.5
702.22211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01865	17.1
55.05511	21.3
57.03434	12.9
57.07082	1.2
57.88777	1.3
65.03942	3.8
67.05500	42.7
67.55226	1.2
69.03428	4.5
69.07061	28.2
70.67376	1.2
70.67725	4.7
71.04980	5.0
73.06528	1.3
73.60445	1.3
79.05488	41.8
81.03410	43.0
81.07049	62.2
83.04977	12.2
83.08607	17.9
85.02895	20.9
85.06537	2.3
91.05470	65.3
93.06437	2.4
93.07033	45.6
95.01317	8.2
95.04962	27.1
95.08597	29.8
97.02918	2.9
97.06526	27.5
97.10188	3.9
99.08102	1.4
103.05457	2.8
105.04503	1.4
105.07024	78.9
107.04942	18.1
107.08589	20.5
109.06499	7.7
109.10139	8.6
111.04411	3.4
111.08067	7.2
115.05464	3.1
116.06265	1.4
117.07016	13.2
119.08574	47.1
121.06516	4.4
121.10110	13.9
123.04398	1.4
123.08057	5.9
123.11700	1.8
125.09615	3.0
128.06206	2.2
129.06995	8.9
131.04893	1.3
131.08554	23.6
133.06500	2.8
133.10117	45.8
135.08022	3.5
135.11694	8.4
137.09644	3.9
141.07033	1.3
142.07799	1.9
143.08575	3.4
145.06497	2.0
145.10118	15.8
147.08034	2.8
147.11668	24.1
149.09572	10.8
149.13304	2.6
155.08621	3.2
157.10085	10.7
159.11687	9.8
159.56189	1.5
161.09612	2.0
161.13278	5.2
161.26033	1.2
163.11153	5.6
165.09166	1.6
165.12727	2.4
169.10114	2.2
171.11697	2.3
173.13274	4.2
175.11182	10.7
177.12704	2.5
179.14299	12.9
183.11713	1.5
187.11165	3.0
188.72331	1.5
193.12236	25.6
197.13274	2.1
211.13255	25.3
211.15115	1.6
215.14279	2.1
247.20552	2.1
257.18994	4.7
267.15897	36.0
268.16293	1.7
269.17499	1.8
275.20044	74.1
276.20288	2.1
285.16943	77.4
286.17371	1.9
293.21185	5.5
320.74423	1.5
349.23773	37.5
350.24023	2.7
541.35266	59.4
542.34766	1.9
559.36267	100.0
560.36517	5.0
577.37756	1.6
690.52246	1.7
749.94238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.3
55.01870	3.5
55.05505	19.6
57.03431	8.9
57.07034	1.1
59.04965	0.6
60.48855	0.6
61.02892	1.3
65.03918	1.3
67.05498	45.3
69.03416	6.7
69.07060	29.2
71.01314	0.6
71.04974	3.7
71.37150	1.4
72.47626	0.5
77.03883	0.6
79.05484	34.1
81.03414	5.0
81.07049	52.5
83.04971	5.3
83.08614	13.7
85.02843	2.0
85.06553	2.8
91.03929	0.8
91.05471	21.5
93.07034	40.9
94.07317	0.7
95.04964	8.3
95.08592	15.1
97.02882	8.3
97.06515	6.3
97.10157	8.5
98.97596	1.1
99.08029	1.5
105.04509	1.2
105.07024	12.3
107.04950	6.8
107.08578	22.8
109.02826	0.8
109.06514	3.0
109.07130	0.6
109.09533	0.6
109.10139	6.9
111.08072	4.7
114.12749	0.9
115.05435	1.0
116.98568	0.9
117.07008	9.6
119.04929	0.9
119.08562	9.1
121.06480	3.4
121.09315	0.7
121.10132	11.1
123.08081	3.5
123.11649	2.2
125.08845	0.7
125.09630	7.0
128.98589	0.8
129.07005	2.8
131.08548	11.5
133.06430	2.4
133.09215	0.8
133.10121	10.5
134.07227	1.1
135.08098	3.5
135.11656	5.4
137.09592	2.0
141.06844	0.9
142.07762	0.8
143.08501	2.3
145.10135	4.0
147.08054	3.6
147.11665	3.7
149.01189	1.3
149.09584	1.8
149.13242	16.2
151.11130	1.7
155.08553	0.9
157.10100	2.4
159.08040	0.9
159.11674	9.2
161.09583	2.2
161.13191	0.8
162.10342	0.9
163.11136	2.1
165.09039	1.0
165.12766	0.6
167.02168	0.7
169.10123	0.5
169.12228	0.9
171.11540	1.0
175.11134	2.2
177.00636	0.8
177.12724	5.6
189.00679	1.2
189.11168	2.4
189.12653	0.7
193.12183	1.3
195.12096	0.9
195.13802	8.3
205.12100	1.0
207.11754	0.7
213.14824	1.2
223.13266	13.9
227.12749	3.3
227.17778	0.9
245.18964	1.1
249.14722	2.9
253.14339	4.4
255.17499	0.9
263.20187	0.7
267.15857	1.8
269.17444	67.3
270.17654	1.1
273.18500	13.3
274.18814	0.7
275.20074	1.8
283.15280	0.8
285.16907	1.6
291.19510	82.0
292.19830	2.5
293.05484	0.9
309.20392	1.4
321.04840	2.4
327.77887	0.6
331.21588	0.7
340.12466	0.6
347.22110	2.7
349.23572	1.2
365.23203	32.5
366.23672	0.7
439.26871	2.0
455.10672	0.7
461.28851	2.1
479.29782	1.8
541.35352	3.4
559.36255	100.0
560.36627	6.4
679.65039	0.6
693.34064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01864	6.3
55.05251	1.4
55.05506	21.2
56.63423	0.5
57.03431	7.8
57.07066	1.3
61.02913	1.9
63.78928	0.5
63.83027	0.5
65.03932	2.6
67.05499	53.4
68.05825	0.7
69.03102	0.6
69.03423	5.2
69.07063	26.9
70.29833	2.6
71.04983	3.6
71.08614	0.7
73.02901	1.3
79.05486	35.8
79.74667	0.5
81.03413	7.2
81.07050	61.3
82.07365	0.8
83.04968	6.6
83.08614	12.8
85.02900	3.3
85.06524	3.1
85.92078	0.5
86.09706	0.8
91.03917	0.6
91.05471	29.3
93.07039	43.0
94.07402	0.6
94.96871	0.6
95.01348	0.8
95.04964	9.1
95.08599	21.9
97.02885	6.3
97.06519	8.8
97.10161	7.4
99.04443	1.2
99.08062	1.6
103.05407	0.8
105.04494	0.7
105.07020	19.2
105.90564	0.6
107.04942	5.7
107.08587	29.0
109.06514	3.8
109.10144	14.9
111.04455	0.9
111.08070	4.9
113.06026	0.9
115.05460	1.0
117.07017	9.6
119.04910	1.0
119.08573	10.4
121.06512	4.5
121.10133	12.7
123.08060	3.1
123.11697	4.6
125.09617	7.0
127.07546	1.0
128.06186	1.1
129.06996	2.3
131.08563	10.9
133.06464	3.6
133.10115	24.3
134.07219	0.8
135.08061	4.1
135.11671	7.1
137.09616	2.2
137.13391	0.7
139.11205	0.8
143.08521	3.4
144.49792	0.6
145.06490	0.8
145.10104	5.5
147.08051	4.2
147.11707	2.8
149.09612	3.4
149.13251	12.9
151.11192	6.7
153.09143	0.8
155.08575	0.5
157.10167	3.1
159.08038	1.3
159.11665	7.1
161.09596	3.8
161.13225	0.9
163.11211	2.1
163.15717	0.6
165.09087	1.4
169.12277	1.5
171.11731	1.5
175.11186	2.7
177.09131	1.1
177.12715	3.9
184.07362	2.9
187.11368	0.7
189.11224	2.5
189.12750	1.1
193.12309	0.8
195.13780	9.5
205.12291	1.7
213.14938	1.5
223.13277	14.3
227.12773	3.5
231.17494	0.8
237.16420	0.7
245.19040	1.8
249.14897	2.6
251.12724	1.5
253.14342	17.3
255.17484	1.2
263.20135	2.2
267.15854	1.9
269.17459	58.0
270.17783	2.3
273.18472	17.7
275.20239	0.7
291.19519	72.4
292.19864	3.2
309.20663	1.9
347.22052	5.2
365.23203	37.7
366.23541	1.9
439.26959	1.1
447.27225	1.1
461.29013	1.7
465.28369	7.0
467.31219	0.7
479.30042	2.3
491.29758	1.0
495.64328	0.8
541.35419	5.0
542.35992	0.8
559.36273	100.0
560.36627	8.3
577.37708	0.8
767.28033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.6
55.01648	1.2
55.01869	12.2
55.05279	1.6
55.05507	20.5
56.68922	1.4
57.03436	9.8
57.07056	1.4
65.03929	1.8
67.05495	39.1
69.03416	4.1
69.07061	22.9
71.04983	3.8
72.07299	1.2
79.05484	37.2
81.03404	34.7
81.07047	58.8
82.07400	1.3
83.04982	10.9
83.08607	16.4
85.02895	15.1
85.06514	2.2
91.05471	67.6
93.07037	34.9
95.01303	6.6
95.04956	20.1
95.08596	26.3
97.02891	3.2
97.06515	23.9
97.10142	4.9
98.20753	3.3
103.05435	2.2
105.07018	69.8
107.04948	14.1
107.08564	17.1
109.06494	4.4
109.10145	8.1
111.04443	1.7
111.08061	5.7
113.05969	1.7
115.05413	2.1
117.07000	13.0
119.08567	38.5
121.06504	2.6
121.10137	11.7
123.04387	1.4
123.08049	3.4
123.11710	2.2
125.09589	1.8
128.06224	2.2
129.00945	1.2
129.06984	9.4
131.04961	1.6
131.08537	24.7
133.06499	2.1
133.10115	35.6
135.07993	2.5
135.11673	6.0
137.09636	3.1
141.06966	2.1
143.08540	4.3
145.10104	15.9
146.86885	1.5
147.08022	1.9
147.11667	18.8
149.09573	9.9
149.13234	2.3
153.01877	1.3
155.08531	2.1
157.10127	9.5
159.11690	9.4
161.13229	3.4
163.11159	5.0
163.83694	1.2
165.09109	2.8
165.12787	1.4
169.10161	1.5
171.11664	3.3
173.13219	4.5
175.11188	8.1
177.12782	2.2
179.14311	9.5
185.13232	2.1
187.11205	2.2
193.12193	14.8
195.13855	1.5
211.13271	20.2
211.15187	2.0
219.17415	29.3
239.17921	1.9
257.19019	5.4
267.15845	19.8
268.29071	1.6
269.17380	1.6
275.20038	61.5
276.20276	1.8
279.15826	1.9
285.16925	39.0
293.21106	4.6
340.32788	1.5
349.23657	35.2
381.86444	1.4
399.69019	1.4
541.35217	45.0
559.36230	100.0
560.36298	5.9
772.10107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.1
55.05508	11.2
57.03436	5.9
61.55669	0.7
66.67100	0.7
67.05156	0.9
67.05499	14.6
69.03416	2.4
69.07071	3.6
71.04968	2.6
71.40971	1.9
79.05485	13.9
81.03413	36.8
81.07047	13.9
83.04971	3.0
83.08614	10.2
85.06538	1.3
90.26349	0.7
91.05469	11.1
93.07036	10.8
95.04967	13.5
95.08606	6.2
97.02889	1.6
97.06522	3.0
97.10163	11.2
104.35590	0.7
105.07018	9.4
107.04953	10.2
107.08578	8.5
109.06498	6.5
109.10137	3.7
111.04395	0.8
111.08063	3.0
113.06069	0.9
115.05468	0.9
115.87119	0.7
117.07030	4.1
119.04916	0.8
119.08585	8.2
121.06493	7.6
121.10135	5.9
123.04432	1.4
123.08082	3.4
123.11601	1.0
125.09623	11.9
129.07011	6.0
131.08543	7.1
133.06483	2.7
133.10100	3.1
135.08118	3.6
135.11714	1.3
137.09601	1.6
139.11188	0.9
141.06944	1.1
142.07771	0.8
143.08553	2.2
145.06453	4.2
145.10138	2.5
147.04454	1.0
147.08002	3.2
147.11674	4.3
149.09628	3.3
149.13174	0.7
153.09081	3.0
153.12741	1.1
155.08559	2.0
157.06511	1.6
157.10124	6.3
159.08057	1.6
159.11745	1.1
161.05966	1.1
161.09579	1.5
163.11172	3.3
165.12759	1.1
171.08109	1.3
173.09618	1.1
173.11827	0.7
173.13283	1.3
175.11174	5.1
177.12679	1.0
183.11777	0.8
184.23824	0.8
187.11200	1.7
187.14798	1.1
189.11194	4.8
189.12704	1.4
193.12231	10.3
195.11687	1.4
197.09656	1.0
197.13216	0.9
197.69434	0.7
199.11151	1.7
205.12126	1.4
211.13257	1.7
215.14330	2.1
217.12186	0.8
219.13837	2.7
223.13251	0.8
227.12750	2.3
231.13823	1.1
233.15367	2.7
237.12698	1.0
241.12103	0.8
249.14783	1.7
267.15894	34.2
273.14673	4.3
273.17334	1.0
291.15851	0.8
293.17508	1.4
339.23264	2.0
343.84427	0.8
349.21570	5.2
357.24283	2.1
367.22668	11.5
385.23730	20.6
386.24008	1.3
403.12961	0.8
403.24811	8.3
441.26263	8.8
453.95572	0.8
459.27411	100.0
460.27435	3.8
469.36591	0.9
477.28467	75.7
478.28851	5.7
491.30029	9.6
501.28290	2.3
509.31247	4.8
511.26111	0.8
541.33405	1.4
567.29565	1.4
748.58337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.05495	5.1
57.03437	9.9
57.06817	1.7
57.07073	25.8
57.07351	1.4
62.91245	0.8
67.05158	0.8
67.05502	12.1
69.03422	1.7
69.07069	6.5
70.96894	1.1
70.97241	1.7
71.04980	1.4
71.08265	1.1
71.08628	18.9
79.05505	5.7
81.03412	50.7
81.07050	16.7
83.04964	2.4
83.08614	14.3
85.02879	1.3
85.10175	11.2
87.04460	0.9
89.06009	1.2
91.05479	9.5
93.07047	3.9
95.04418	1.1
95.04968	13.1
95.08607	16.5
97.02883	1.5
97.10163	5.0
99.11747	0.9
105.07027	5.6
107.04926	2.4
107.08591	2.9
109.06493	1.8
109.10136	7.0
111.04429	0.8
111.08050	4.0
119.08578	6.8
121.06490	2.4
121.10124	3.7
122.90198	0.8
123.04395	0.8
123.11670	2.5
124.99987	0.8
129.06972	4.5
131.08536	5.2
133.06499	2.1
133.10103	3.1
137.09630	0.9
137.13138	0.9
142.07774	1.3
145.10123	1.9
147.08041	1.2
147.11664	4.0
149.09602	2.6
156.26132	0.8
157.10139	6.4
163.11197	0.8
165.12680	1.1
175.11185	5.4
184.07306	2.2
193.12212	20.0
211.13225	0.9
214.43134	0.9
237.75592	0.8
239.23599	1.2
249.14906	1.1
257.24771	1.4
267.15900	85.4
268.16296	2.1
275.39169	0.8
278.60123	0.8
309.16797	1.6
313.27341	100.0
314.27692	2.4
505.38876	82.4
506.38818	3.8
523.40454	1.2
547.40259	3.8
601.40564	1.9
613.40875	1.3
647.89642	0.9
688.57294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
55.01870	14.2
55.05499	12.1
57.03432	3.6
60.24089	1.2
63.02563	1.2
63.56882	1.1
65.03934	1.9
65.60587	1.0
67.05499	31.9
69.03411	2.0
69.07065	19.2
71.72625	2.4
74.01555	1.1
79.05491	30.5
81.03430	8.4
81.07053	36.7
83.04972	8.4
83.08607	4.8
85.02888	1.6
86.14526	1.1
89.57054	1.1
91.04929	2.4
91.05474	36.6
93.07038	33.9
95.01306	5.1
95.04952	11.6
95.08603	24.1
97.06526	22.2
97.10156	1.8
105.04549	1.9
105.07021	44.2
107.04948	10.4
107.08580	14.9
109.06526	3.1
109.10136	5.0
111.88228	1.0
115.05435	1.3
117.07014	10.5
119.08572	24.5
121.06487	1.9
121.10133	5.6
123.08083	2.3
129.06990	6.9
131.08553	10.3
133.10117	20.3
135.08067	2.2
135.11670	4.4
137.09525	2.0
141.06978	1.7
143.08592	3.2
145.10136	10.5
147.11684	15.1
149.09598	4.7
151.11087	1.6
155.08528	1.3
157.10094	1.9
159.11667	6.2
161.13246	5.8
163.11143	3.4
169.10178	1.8
169.25923	1.1
171.11664	7.6
177.12704	1.9
179.14284	6.9
187.11180	3.1
189.12755	4.0
207.13821	4.5
247.20665	1.6
257.18890	3.6
259.20721	1.9
275.20059	42.6
275.23074	2.6
279.15842	3.5
281.17435	30.8
293.21085	2.6
349.23770	16.3
439.41064	1.4
537.35492	2.2
555.36761	100.0
556.37079	3.5
573.37555	1.5
689.58289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.2
69.07065	1.2
71.70206	0.9
84.04497	45.1
86.06065	2.7
86.09697	96.9
87.10020	0.9
87.57483	0.7
92.50803	0.8
102.05510	0.9
112.92805	0.8
114.05496	1.2
122.53182	0.7
127.03896	1.4
130.04111	1.1
130.04994	11.3
132.10193	56.5
139.03877	1.1
142.05019	4.4
152.10687	2.4
160.52347	0.7
169.08600	3.2
170.11745	1.0
196.28415	0.7
198.11273	14.0
199.11618	1.0
243.13446	1.0
244.11804	12.2
261.14441	100.0
262.14740	2.0
304.82770	0.9
457.44299	0.8
464.70767	0.8
524.02661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01876	2.3
57.03426	0.5
65.03928	5.2
66.04713	0.7
67.05508	2.1
69.03428	1.4
71.24439	1.2
75.04473	2.4
77.03918	1.1
78.04702	2.5
79.05488	6.1
81.03416	2.1
81.07063	0.9
82.04205	1.3
85.02887	5.3
87.22733	0.5
89.03909	0.8
89.06047	0.4
91.05466	10.3
93.03390	8.5
93.07034	3.7
95.04953	4.9
97.06506	2.9
100.56444	0.5
102.04682	0.6
103.05457	22.2
105.03395	1.6
105.07011	7.0
106.04163	14.3
107.04935	10.7
109.02885	0.5
109.06506	1.5
110.03684	1.5
111.04443	2.1
115.05452	5.8
117.07011	4.0
118.04162	5.8
119.04930	2.2
119.08587	0.5
120.05688	0.8
121.06494	17.2
121.07316	1.0
122.03672	0.7
123.04420	6.0
124.05193	3.2
125.05968	6.8
128.06204	0.7
129.06987	1.5
130.04146	1.7
131.04910	20.9
131.08566	1.0
132.05678	2.1
133.02835	2.0
133.06480	9.5
134.03639	2.6
135.04434	2.3
135.08058	2.8
136.05179	0.6
137.05956	4.9
138.03111	1.3
139.03889	0.8
139.07541	2.3
141.07034	0.9
142.02591	1.3
143.04893	1.2
144.05699	1.5
145.02831	0.8
145.06465	6.6
146.03624	1.1
146.07239	1.0
147.04350	1.5
147.08038	2.2
148.05176	13.1
149.05965	28.1
149.74091	0.5
151.02135	0.7
151.03873	3.4
151.07565	2.2
152.04654	2.7
153.05444	3.3
153.09085	8.4
155.06029	1.3
155.07112	0.6
156.05698	0.7
157.06464	1.5
159.04410	1.8
159.08031	1.9
160.05173	1.4
161.05971	10.3
162.01338	2.0
162.06761	1.1
163.03918	2.4
163.07520	25.8
165.05461	2.1
165.06868	0.5
165.09129	0.6
166.06255	1.2
167.07021	63.0
168.07323	0.6
169.06276	0.6
171.06514	3.1
173.05949	5.8
174.06670	0.7
175.07521	3.7
176.04672	2.9
177.05447	18.1
177.06996	0.9
177.08911	0.6
178.06186	1.1
179.01593	1.0
179.07054	1.6
181.04941	73.8
181.08517	14.9
182.05247	1.0
185.05896	0.7
187.07535	3.7
189.05453	1.0
189.09059	0.6
190.00798	1.7
190.06245	1.9
191.07005	100.0
192.07610	2.1
193.04955	2.2
193.08638	3.7
195.06496	6.1
201.05431	1.8
203.06995	3.2
205.06805	0.9
205.08466	3.2
207.06467	1.9
207.08238	1.1
207.10152	2.0
208.01836	1.7
209.08064	87.4
210.08403	1.2
217.08597	2.5
218.07286	0.8
219.06273	0.8
219.08160	1.0
219.10040	6.1
221.06058	0.7
221.08058	1.4
223.04214	21.2
224.04736	0.8
225.07445	1.1
229.08493	0.9
231.06464	1.8
233.05997	0.9
233.08032	5.6
234.08789	0.6
235.07530	1.6
235.09636	5.7
236.08260	0.8
237.09143	0.7
245.08049	2.0
246.06627	0.5
247.07423	1.1
252.07808	1.2
253.08420	0.6
263.06479	1.3
263.09128	22.5
264.07678	0.8
265.08603	1.4
267.10123	4.3
269.07877	0.6
279.10141	1.0
281.08185	0.6
293.08115	1.3
295.09586	1.0
297.11151	1.7
307.09488	1.3
309.11151	0.6
312.09027	2.1
313.10550	0.9
324.09863	0.7
325.10754	3.4
329.13712	1.3
330.09839	0.7
335.09042	0.8
337.06879	0.6
337.10571	1.6
339.12085	1.4
355.11685	0.9
357.13263	8.3
359.14758	1.2
367.11560	2.1
369.13052	1.4
371.14764	1.7
385.12747	12.0
387.14185	1.6
399.14517	4.0
417.09900	0.9
417.15381	14.4
426.00873	0.5
577.20221	1.0
585.38055	0.7
609.22986	0.9
776.86096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
54.26340	0.5
55.01877	2.4
65.03934	6.0
66.04724	0.8
67.05512	1.8
69.03430	1.9
70.99323	1.7
75.04480	2.6
77.03944	0.7
78.04720	2.4
79.05493	6.4
81.03421	1.6
81.07076	0.7
85.02916	5.3
85.67525	0.5
89.03928	1.1
89.06023	0.6
91.05467	10.5
91.57028	0.5
93.03403	8.1
93.07052	3.5
94.04189	0.7
95.04967	6.4
97.06515	2.5
98.21399	0.6
101.05988	0.6
102.04681	0.8
103.05466	19.9
105.03390	2.2
105.04514	0.5
105.07023	9.0
106.04166	17.4
107.04948	11.5
109.06515	1.5
110.03694	1.4
111.04434	2.4
112.04878	0.5
115.05471	6.8
117.03344	0.8
117.07011	4.6
118.04152	5.4
119.04938	2.6
120.05747	0.8
120.07148	0.5
121.06505	19.8
123.04430	4.6
124.05218	2.9
125.05990	9.3
128.06258	0.9
129.06992	1.8
130.04153	2.2
131.04922	21.2
131.08565	1.0
132.05696	2.2
133.02879	2.2
133.06482	9.7
134.03609	3.2
135.04419	2.3
135.08054	2.0
137.05954	5.9
138.03168	1.5
138.06744	1.0
139.03911	0.8
139.07541	2.2
142.02600	1.5
143.04935	1.7
144.05669	1.6
145.02797	1.0
145.06514	5.7
146.03625	1.2
147.04404	2.2
147.08069	2.7
148.05173	11.9
149.05972	30.2
151.02122	1.2
151.03937	3.4
151.07564	2.3
152.04686	1.7
153.05478	4.4
153.09099	8.4
155.05957	0.8
155.07079	0.9
157.06487	1.1
159.04347	0.8
159.08090	1.4
160.05197	1.9
161.05971	11.1
162.01302	2.6
162.02998	0.5
162.06717	1.0
163.03891	2.3
163.07536	24.5
165.05466	2.4
165.09161	0.9
166.06273	1.1
167.07033	64.0
168.07419	0.7
171.06483	4.4
173.05949	5.6
174.06801	0.7
175.03911	0.9
175.07544	4.2
176.04698	3.5
177.05455	21.4
177.09024	1.2
178.06088	0.9
179.01563	1.2
179.07014	1.8
179.08571	1.0
181.04955	79.1
181.08519	17.4
182.05318	0.7
183.06458	0.6
185.06023	0.6
185.90744	0.6
187.07495	3.1
189.05434	1.0
189.07022	0.5
189.09163	0.7
190.00769	1.9
190.06242	1.4
191.07018	100.0
192.07620	2.2
193.04993	1.4
193.08603	4.2
195.06511	5.3
199.07524	0.5
201.05447	2.1
203.07024	2.8
205.08521	4.0
206.07243	0.7
207.06496	1.4
207.08282	0.6
207.10135	2.0
208.01903	0.9
209.08076	99.9
210.08380	1.8
217.08569	2.5
219.06400	0.6
219.08212	0.9
219.10110	6.6
220.07219	0.6
221.06084	0.6
221.07993	1.3
222.06723	1.3
223.04231	20.3
223.07448	0.9
224.08159	0.7
225.05707	0.6
225.07570	1.3
229.08511	1.2
231.06380	0.9
233.08095	6.7
235.07523	1.8
235.09653	5.7
236.04271	0.5
236.08308	1.0
237.09059	1.2
245.08012	1.7
249.09125	0.6
250.06235	1.2
252.07709	0.9
257.08310	0.6
263.09146	23.1
263.11945	1.1
265.08560	1.5
267.10175	4.4
269.08032	0.5
269.21307	0.6
279.10150	1.4
281.08231	0.6
287.05536	0.6
292.07169	1.0
293.07971	1.5
295.09518	1.4
296.10162	0.7
297.10992	1.8
307.09616	1.0
312.08896	2.7
323.09155	0.7
325.10651	4.3
327.12000	1.1
330.09906	0.9
331.11731	1.2
335.09000	0.6
337.10513	1.1
339.12186	1.0
355.11636	1.1
357.13312	7.2
359.14691	1.4
367.11896	2.5
369.13348	0.9
371.14856	1.3
381.13361	1.2
385.12775	12.2
387.14063	2.4
389.15701	0.9
399.14343	4.1
417.10083	1.1
417.15460	16.9
577.20648	0.7
609.22687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05504	1.2
57.03425	1.5
60.08158	2.2
61.02915	3.2
67.05494	5.9
69.03416	1.8
69.07064	2.6
71.07359	1.4
71.72543	1.5
73.02907	3.6
79.05480	4.2
81.03419	1.3
81.07044	6.6
83.08667	0.7
85.02911	3.9
86.09695	10.6
87.10049	1.1
91.03948	2.7
91.05487	2.9
93.07045	6.3
95.04980	0.8
95.08614	2.9
97.02910	3.9
98.98489	1.8
101.02393	2.0
104.10716	1.0
105.07025	2.8
107.08604	2.5
109.10158	0.8
117.07007	0.9
119.08605	2.1
121.10128	1.9
124.99982	8.0
126.84278	0.7
127.03925	1.6
131.53737	0.7
133.10191	1.1
135.11731	2.0
149.13272	1.2
156.47430	0.9
159.11620	1.2
184.07324	36.8
185.07632	4.5
243.08521	3.0
301.08984	1.7
366.54224	0.8
373.11145	1.1
387.74564	0.9
453.20953	10.5
465.21252	1.3
525.23224	1.5
535.28601	5.7
747.42816	100.0
748.43188	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
54.14537	0.2
55.01878	0.5
55.05505	1.3
56.29759	0.3
57.03434	1.9
57.07083	0.3
60.08167	0.3
61.02927	6.6
67.05502	4.8
69.03426	3.3
69.07074	1.1
70.26913	1.1
71.01338	0.5
71.04991	0.6
73.02908	4.5
73.03278	0.3
79.05492	3.7
81.03425	3.0
81.07056	5.0
83.08607	1.0
85.02899	6.7
86.09705	0.4
87.04460	0.3
91.03955	2.8
91.05480	3.0
93.07043	3.7
95.04979	0.8
95.08597	3.2
97.02881	5.3
97.06526	0.5
97.68826	0.3
99.04465	0.9
101.02383	2.2
103.03942	0.3
105.07037	1.3
107.08592	1.7
107.62571	0.3
109.02884	0.7
109.06508	0.4
109.10159	1.3
111.08088	0.4
115.03933	0.4
117.07024	0.3
119.08594	1.3
121.10123	1.7
123.08067	0.4
123.11719	0.5
124.99988	0.5
127.03915	1.6
129.06989	0.4
131.08586	1.0
133.10161	0.7
135.11719	0.5
145.10156	0.7
147.11732	0.8
149.13293	0.5
151.11125	0.3
157.10143	0.6
166.66159	0.3
168.96724	0.3
175.11153	0.3
184.07399	1.4
185.04254	0.6
193.12248	0.6
203.05302	0.4
211.13367	0.5
243.08400	2.1
251.12636	0.8
262.66635	0.3
283.98996	0.3
285.16901	0.4
335.25854	0.7
469.20486	3.8
502.57217	0.3
519.29279	8.7
747.42847	100.0
748.43164	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	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01858	0.6
55.05509	1.7
57.03436	2.4
61.02922	6.1
65.03911	0.4
67.05502	4.3
68.05827	0.5
69.03426	4.2
69.07075	1.7
71.01377	0.4
71.04984	0.6
71.72381	0.3
71.72800	0.4
73.02917	4.4
79.05488	4.2
81.03409	3.9
81.07053	4.9
82.99744	0.3
83.08605	1.3
85.02905	7.7
85.69685	0.3
85.77131	0.4
86.09716	1.3
87.04475	0.6
91.03959	3.4
91.05486	3.8
93.07043	4.2
95.04957	1.7
95.08602	3.6
97.02889	5.2
97.06574	0.4
99.04454	0.8
101.02372	2.1
103.03919	0.4
105.07037	2.6
107.04972	0.7
107.08564	1.9
109.02885	1.2
109.06512	0.6
109.10174	1.1
111.08059	0.8
112.59587	0.3
115.03896	0.5
117.07004	0.5
119.08597	2.0
121.10150	1.4
125.00019	0.8
127.03925	2.1
129.07036	0.8
131.08598	1.9
133.10133	1.1
135.11726	0.7
145.10075	0.5
147.11694	1.1
149.09651	0.8
157.10136	1.1
159.11804	0.5
175.11191	0.6
184.07317	2.8
185.04210	0.7
193.12236	1.2
211.13428	0.4
243.08395	2.3
251.12601	0.9
307.15106	0.6
433.86850	0.4
469.20438	8.8
519.29364	4.5
661.03265	0.4
747.42865	100.0
748.43152	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	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58913	0.7
55.05498	1.2
57.03414	2.2
60.08151	1.6
61.02935	5.8
67.05496	5.3
68.53690	0.8
69.03427	3.6
69.07054	1.5
71.72989	1.5
73.02913	3.6
79.05482	2.8
81.03418	3.5
81.07052	6.9
83.08593	1.0
85.02904	5.3
86.09688	5.2
91.03953	2.2
91.05475	2.2
93.07038	4.5
95.08604	3.2
97.02895	3.8
99.04492	1.0
101.02370	1.5
105.07024	2.8
105.31500	0.8
107.08633	1.1
109.02898	1.1
109.10175	1.6
119.08626	1.0
121.10153	2.5
123.11739	2.3
124.32336	0.7
125.00018	3.8
125.85194	0.8
127.03920	2.3
133.10168	0.8
147.11697	4.0
165.12773	1.1
173.04550	0.9
184.07333	17.8
185.04262	1.2
185.07730	2.5
243.08467	1.7
251.12517	1.0
397.62524	0.9
469.20322	10.1
502.03857	0.9
519.29565	4.0
608.33026	1.0
747.42804	100.0
748.43195	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	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
57.03430	3.3
60.08149	1.3
61.02917	5.9
67.05499	6.6
69.03428	4.3
69.07062	1.9
71.46298	1.5
71.46630	1.1
73.02570	0.8
73.02901	4.6
73.59595	0.8
74.32197	0.9
79.05484	4.7
81.03418	2.7
81.07043	7.7
83.08629	1.5
85.02903	8.0
86.09700	4.2
91.03960	4.1
91.05483	3.3
93.07042	5.6
95.08578	4.4
97.02885	6.8
99.04475	1.4
99.36023	0.9
101.02389	2.7
105.07021	2.8
107.08587	2.8
109.02911	1.7
111.28676	0.9
112.27930	0.9
119.08588	1.5
121.10166	2.9
123.11700	1.2
125.00026	1.6
127.03902	1.4
131.08548	1.4
133.10159	1.4
135.11720	1.2
145.10127	1.1
147.11708	3.8
165.12741	0.9
184.07355	12.3
185.04312	0.9
185.07764	1.0
197.32364	0.8
199.83093	0.8
238.78322	0.9
243.08449	1.5
464.46954	1.0
469.20465	3.5
519.29303	9.4
601.19159	1.0
747.42761	100.0
748.42847	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	747.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.9
70.68021	3.9
71.60424	1.0
77.85607	1.0
79.05492	1.9
81.03404	1.6
81.07063	1.9
90.62317	1.0
93.07037	1.3
95.08609	2.0
105.07025	1.2
129.13136	1.1
133.10202	1.3
184.07323	2.8
190.66707	1.1
195.46489	1.1
213.70859	1.3
262.82172	1.1
276.07489	1.1
313.27414	1.2
747.40735	100.0
748.41071	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	747.1547
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
53.00309	0.9
53.03934	0.5
55.01874	1.2
55.63001	0.4
63.02368	0.5
64.04939	0.4
65.03940	1.7
67.01859	0.8
67.05508	0.5
68.99786	6.5
70.49460	1.6
79.01868	0.8
79.05498	0.9
81.03413	2.8
89.03907	1.5
91.05465	0.7
92.15053	0.4
93.03386	0.6
95.04972	1.4
99.04450	1.2
103.05482	0.5
107.04948	4.0
109.02853	3.6
111.00798	4.6
111.04430	4.4
111.51123	0.5
115.05473	0.9
117.03401	1.0
117.06979	0.4
121.02859	2.6
123.03518	1.0
123.04417	23.3
127.03903	79.1
128.04222	0.5
129.07013	0.7
131.04939	2.2
133.02853	0.8
135.04401	30.8
137.02309	2.0
137.05980	0.6
139.03886	100.0
140.04230	1.6
141.01942	0.4
141.06944	1.2
143.03372	0.9
143.04913	0.7
145.02797	1.3
145.06471	1.1
147.04411	3.2
149.02330	3.4
149.05980	1.8
151.02657	0.9
151.03888	16.6
152.06258	0.4
153.01817	11.6
153.02934	0.5
153.06943	0.6
154.02116	0.4
155.04877	1.4
157.06465	1.1
159.04427	2.8
161.02414	0.5
161.05954	2.2
163.03891	43.7
164.04218	0.6
165.05426	1.4
167.03375	4.5
169.06538	2.4
171.04398	0.9
173.05962	3.8
175.03868	4.1
177.05438	5.2
179.03363	5.6
181.04901	2.1
181.06348	0.7
183.04398	1.9
185.06046	2.0
186.89969	0.5
187.03879	4.9
189.05472	2.6
191.03378	7.6
193.04974	3.6
197.05963	3.8
198.06325	0.5
199.03888	0.9
200.04433	0.5
201.05450	8.7
203.03387	9.1
203.07083	2.0
204.03705	0.5
205.04958	6.1
207.02884	1.0
209.05988	0.9
211.04002	0.5
213.05440	2.6
214.05745	0.4
215.03316	1.4
215.07014	2.3
216.03619	0.5
217.04921	2.6
218.91554	0.4
219.06516	1.2
223.02289	1.0
223.05992	0.7
225.05414	1.9
226.06024	0.7
227.03345	0.7
227.07014	0.9
229.04919	10.2
229.07190	0.5
231.06465	1.5
233.04408	2.9
237.05437	1.2
241.04846	1.3
243.06552	3.4
245.04454	7.6
246.04741	0.6
247.06006	46.9
248.06352	1.0
249.03911	0.8
251.05383	1.0
253.04942	1.8
254.05336	0.6
255.06488	2.8
257.04410	7.6
258.04840	0.6
259.06003	6.9
261.07529	1.1
263.05478	1.2
265.05029	0.7
269.04416	2.9
270.04791	0.5
271.05988	16.3
272.06302	0.9
273.07330	0.8
275.05438	6.8
283.05997	13.2
284.06448	0.7
287.05475	19.9
288.05832	2.1
289.07034	16.5
295.05859	1.0
297.07541	0.6
299.05453	11.9
300.05829	5.6
301.07019	19.5
307.08054	1.5
311.05411	0.6
313.07010	0.7
323.05411	2.0
333.06473	0.5
361.06873	0.7
365.06601	1.0
389.06485	1.2
407.02621	0.7
407.07590	10.5
408.08002	0.9
409.09140	20.0
421.08939	0.7
425.08679	11.4
426.08899	2.3
427.09802	3.8
437.08307	0.8
451.09778	1.6
459.08975	1.2
559.12006	0.6
579.10858	0.6
595.10266	1.7
599.24335	0.5
675.93469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1545
Annotation	Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
Peak:m/z	Relative Intensity
55.01856	2.0
65.03928	1.4
65.09182	0.6
67.05487	2.0
68.99783	8.7
71.16097	0.7
72.96136	0.5
79.01840	0.7
81.03407	3.4
90.22826	0.6
91.05500	0.7
93.64651	0.6
95.04950	1.9
99.04420	1.5
105.03388	2.2
107.04962	0.6
109.02853	4.7
111.00793	8.8
111.04420	1.5
119.04921	1.8
121.02838	1.6
123.04414	78.0
124.04737	1.1
127.03898	100.0
133.02831	2.6
135.04408	2.8
137.02362	1.4
137.05974	0.8
139.03882	69.9
140.04237	1.0
143.03380	1.4
146.89290	0.6
147.04393	12.8
149.02322	2.9
151.03889	34.6
153.01817	12.5
153.03032	0.6
155.03383	2.4
157.06381	0.9
159.04402	1.5
161.05986	1.7
163.03891	8.0
165.01855	0.8
165.05466	5.9
167.03378	5.3
171.04370	2.5
173.05945	1.7
175.03877	16.9
177.05452	5.4
179.03368	37.7
181.04985	0.7
183.04387	1.2
185.06020	1.8
187.03940	1.7
189.05457	5.8
191.03354	13.7
193.04924	5.1
197.05974	1.2
199.03853	2.6
201.05414	6.5
203.03360	24.6
205.04971	3.2
211.03995	1.1
213.05463	6.2
215.03371	1.9
215.06911	0.7
217.04947	5.6
219.06400	1.2
221.04482	1.0
227.03386	1.6
229.04973	4.6
229.71408	0.8
231.06442	3.4
233.04478	5.5
241.04962	3.6
243.06552	1.0
245.04427	12.9
247.05968	1.5
251.05470	2.5
257.04413	14.2
259.05930	3.4
263.05472	11.9
269.04410	8.3
271.05975	2.8
273.07498	7.7
275.05466	23.3
277.07077	0.9
285.07410	0.6
287.05457	61.9
288.05911	1.8
289.06995	1.3
291.08591	3.3
299.05444	19.3
300.05716	0.9
301.07025	1.1
305.06506	10.6
311.05426	2.4
313.06992	0.9
315.08707	1.2
317.06543	15.4
391.08035	2.8
392.17493	0.7
409.09201	10.0
421.09094	1.2
425.02887	1.3
425.08618	21.0
427.09698	1.0
433.08661	0.9
443.09714	5.9
451.09949	1.8
455.09140	1.1
579.11279	1.4
698.55487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.3
56.05017	0.7
58.06610	0.3
60.08159	5.6
62.99084	0.3
67.05491	1.0
69.07059	0.5
70.03580	1.3
71.07366	3.5
73.48605	0.2
76.80982	0.3
79.05453	0.4
81.07043	1.2
86.09699	28.3
89.06026	1.5
91.05486	0.4
93.07008	0.3
95.08606	0.8
98.98454	2.8
104.10741	2.0
111.58742	0.3
124.99995	18.8
133.08617	0.7
135.11716	0.3
143.00990	0.4
147.04410	0.8
148.04681	0.5
184.07330	100.0
185.07690	1.0
231.51265	0.3
243.15776	0.4
287.18350	0.4
337.27219	0.7
353.78021	0.3
505.38644	0.7
549.40363	0.4
714.47198	0.4
746.49768	3.5
747.41772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31575	0.3
55.05489	0.9
56.05032	0.5
57.03402	0.5
58.06607	0.5
60.08161	5.5
67.05496	3.2
68.05830	0.4
69.07042	0.6
70.30307	1.4
71.04977	0.6
71.07362	3.0
79.05481	1.1
80.05826	0.3
81.07055	2.3
83.08611	0.3
86.09698	27.3
89.06014	0.9
90.29531	0.3
91.05469	0.7
93.07025	1.4
94.07365	0.3
95.08595	1.1
98.21347	0.5
98.98455	3.0
104.10729	1.9
105.07030	0.6
107.08611	0.8
109.10146	1.3
119.08564	0.6
121.10172	0.4
123.11686	0.3
124.99991	18.8
133.08572	0.7
177.11382	0.4
184.07326	100.0
185.07555	0.5
227.20050	0.3
287.18448	0.4
288.18915	0.5
288.22192	0.3
328.34641	0.3
335.25729	0.6
336.25977	0.5
337.26611	0.3
489.35748	0.7
490.36087	1.2
491.36719	1.9
517.38068	0.4
547.39917	0.4
548.40155	0.8
549.40509	2.2
584.56293	0.3
746.49689	3.6
747.42242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05509	1.3
57.03435	1.5
61.02933	3.2
67.05499	5.4
67.41266	0.5
69.03433	2.0
69.07069	2.7
69.71409	3.3
71.04976	0.7
73.02918	3.0
79.05483	3.6
81.03414	2.2
81.07047	6.7
83.04971	0.7
83.08627	1.1
85.02910	3.3
86.09703	1.4
89.65685	0.5
91.03952	2.7
91.05484	3.7
93.07034	5.2
94.01889	0.6
95.04977	1.5
95.08614	2.6
97.02903	3.9
97.06525	1.7
101.02409	1.6
105.07025	2.9
107.04948	1.0
107.08604	3.3
109.02895	0.7
109.10167	0.7
117.07042	1.2
119.08591	2.4
121.10149	1.9
124.99982	0.8
127.03931	1.3
127.82795	0.6
131.08575	2.2
133.10156	2.2
135.11668	1.1
145.10081	1.3
149.09592	0.9
149.13258	1.9
159.11703	0.9
161.13345	0.7
164.07613	0.5
177.12790	0.7
184.07330	3.9
185.04231	1.0
235.13043	0.9
243.08469	2.5
247.71564	0.6
269.17642	0.7
275.19974	1.0
315.19220	3.7
453.20944	9.1
489.51779	0.6
533.27100	6.1
583.37000	0.8
745.41302	100.0
746.41479	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.3
55.01857	1.3
57.05997	0.3
58.72536	0.2
65.03912	0.5
68.16498	0.2
68.99782	4.5
69.69218	2.0
79.01844	0.7
79.05464	0.3
83.01308	0.4
93.03359	0.3
95.04970	0.3
97.02840	0.3
105.03368	0.3
109.02866	0.3
111.00773	1.1
111.04441	0.4
114.89758	0.3
115.05411	0.8
117.06969	0.3
121.02828	0.7
123.04419	0.6
125.02325	0.4
126.18801	0.3
127.03902	1.0
129.07027	0.6
131.04980	0.4
133.02829	0.5
135.04375	0.8
137.02182	0.2
139.03880	19.6
140.04193	0.6
141.01790	0.5
141.06967	1.6
143.03384	1.0
145.02786	0.7
145.06471	0.8
147.04401	1.4
149.02309	0.5
151.03830	1.6
153.01805	8.6
153.07024	0.3
155.04884	0.8
157.06496	1.3
159.04370	0.7
161.05977	0.5
163.03882	3.7
167.04897	0.5
169.06430	3.6
171.04417	2.0
173.05957	1.6
175.03888	2.1
177.05463	1.1
179.03354	1.1
181.04924	1.0
181.06331	0.4
181.23152	0.2
183.04407	2.2
185.05965	2.4
187.03888	1.2
187.07420	0.4
189.05455	4.4
191.03326	1.4
193.04915	0.9
197.05954	7.3
199.03886	3.9
200.04405	0.3
201.05434	3.0
203.03357	8.1
203.07060	0.7
204.03717	0.3
205.04939	1.0
209.06068	0.4
211.03880	2.3
213.05428	5.7
214.06067	0.3
215.03362	3.4
215.06941	1.7
217.04959	3.5
219.06519	0.8
223.02383	0.4
225.05440	5.5
227.03378	1.1
229.04900	5.1
230.05402	0.5
231.06468	4.6
233.04387	0.3
236.04500	0.3
237.05562	0.4
239.03363	0.5
241.04836	1.6
243.06462	2.8
245.04420	8.2
246.04666	0.4
247.05981	0.3
253.04913	7.1
255.06462	0.5
257.01697	0.4
257.04425	7.9
258.04984	0.5
259.05997	1.2
263.05542	0.9
265.04926	0.3
269.04443	1.9
270.05179	0.5
271.05978	16.5
272.06314	0.6
274.04727	0.4
275.05493	3.1
281.04407	3.9
282.05045	0.5
283.06009	0.8
285.03949	0.3
286.04663	0.5
287.05453	25.0
288.05811	1.4
289.06931	1.0
295.05933	0.8
297.03964	0.3
298.04413	0.4
299.05460	100.0
300.05911	3.1
303.05179	0.3
311.05496	1.2
312.05838	0.3
323.05237	0.4
337.07401	0.3
365.06506	0.5
407.07596	3.6
419.07339	0.6
423.07251	0.7
424.07553	0.4
425.08621	31.4
426.08707	1.4
435.07147	0.5
436.07336	1.0
437.08676	1.7
449.08514	2.8
467.09534	0.5
558.10748	0.4
575.11462	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01869	1.5
55.05280	1.5
55.05505	17.6
57.03427	8.6
57.07068	1.9
57.50335	1.1
59.05006	2.6
61.02910	3.4
65.03919	4.0
67.05496	91.0
69.03427	2.9
69.07058	13.3
69.54342	9.5
71.04986	19.6
77.03936	1.6
79.05488	32.9
81.03407	4.0
81.07049	44.3
83.04967	4.9
83.08609	9.8
85.02871	2.3
85.06528	4.5
86.09707	2.0
91.03954	1.8
91.05467	24.0
91.29498	1.2
93.07035	44.5
95.04943	4.7
95.08017	2.1
95.08598	35.8
97.02879	2.4
97.06485	3.8
97.10143	3.2
98.21426	2.3
105.07006	12.0
107.08577	22.1
108.34881	1.2
109.06499	1.6
109.10142	67.6
111.08074	2.2
117.06985	5.4
119.08556	17.7
121.10136	19.3
123.08051	2.0
123.11677	3.2
131.08557	7.9
133.10097	8.5
135.11676	15.1
137.09576	7.3
142.19521	1.2
145.10126	6.6
145.11092	1.1
147.11685	5.2
149.13226	4.4
155.10672	1.8
159.11658	4.2
161.13280	3.0
163.11150	3.1
163.14746	1.2
169.12300	1.3
173.11661	5.2
173.13144	2.7
184.07339	4.7
187.14888	1.5
193.12291	3.0
211.13295	4.2
229.14302	2.2
243.15938	2.1
243.21176	1.5
255.15858	5.5
261.22113	3.8
271.41846	1.2
285.16953	3.1
287.18484	17.4
317.24649	1.7
335.25778	29.5
337.27338	3.4
397.30838	1.8
471.34387	2.1
489.35724	100.0
490.35858	2.5
503.37228	2.9
515.37250	11.4
547.39899	87.5
548.40070	3.6
694.01190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01853	3.8
55.05511	23.5
57.03210	1.8
57.03435	16.3
61.02916	4.9
65.03903	2.5
67.05502	63.9
69.03408	6.8
69.07061	19.8
69.57922	2.5
71.04997	5.0
71.64569	5.5
79.05487	29.1
81.02953	2.8
81.03410	44.1
81.07052	59.6
83.04968	12.2
83.08613	26.4
85.02908	18.6
85.06544	3.3
91.00938	2.2
91.05474	27.1
93.07036	27.2
95.04955	16.6
95.08609	40.7
97.02861	5.5
97.06519	6.1
97.10162	5.4
99.04427	2.7
105.07037	23.6
107.04924	3.3
107.08600	16.2
109.06553	4.4
109.10157	21.9
111.08054	8.2
117.07004	3.3
119.08578	17.3
121.10120	13.7
123.11695	6.9
125.09592	2.3
129.07007	8.9
131.08539	13.0
133.10127	15.4
135.11684	10.3
143.84573	2.9
145.10089	3.5
147.11682	14.8
149.09645	4.2
157.10078	8.9
161.13278	3.0
175.11205	10.7
184.07346	4.4
193.12259	31.0
198.70290	2.3
211.11264	3.7
211.13280	64.5
212.13698	2.4
245.22641	2.5
256.18637	2.2
263.23734	4.2
267.15900	16.1
285.16946	64.9
286.17343	4.5
287.18277	3.7
335.25888	7.4
336.26288	4.4
337.27362	70.3
479.25122	2.6
489.35712	10.1
498.71539	2.4
529.38947	13.3
547.39893	100.0
548.40308	5.1
565.39899	2.5
744.45013	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	744.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01875	4.0
55.05513	16.7
57.03436	16.5
57.07064	1.9
60.08155	1.4
61.02929	1.8
65.03941	2.2
67.05503	54.9
69.03423	3.3
69.07066	20.1
71.01347	5.1
71.04977	5.4
71.73031	1.2
75.11824	0.7
79.05491	45.3
81.03426	8.8
81.07053	49.3
81.27721	0.8
81.56800	0.7
83.04980	11.3
83.08611	8.0
85.02901	3.0
85.06542	4.9
86.09704	7.1
91.03944	1.0
91.05478	26.9
91.06046	1.6
93.07040	55.5
95.04962	8.8
95.08601	16.1
97.02932	1.8
97.06527	15.3
97.10162	10.7
99.04462	1.8
99.08091	2.9
105.04502	1.0
105.07027	17.0
107.04951	5.4
107.08595	39.5
109.06522	3.5
109.10167	9.3
111.08081	4.1
111.11768	0.9
111.95918	1.1
115.05478	1.1
117.07013	10.3
119.08573	16.3
121.06492	3.8
121.10147	12.1
123.08047	1.5
123.11710	2.6
125.00001	3.1
125.09648	2.7
127.03908	2.2
129.07004	2.7
131.08575	9.1
133.06461	1.0
133.10112	12.0
135.08052	2.6
135.11688	39.3
136.11975	0.8
137.09634	2.8
143.08585	1.9
145.10130	12.2
147.11659	4.7
149.09612	7.6
149.13261	9.5
151.11195	1.7
153.12718	2.1
155.08595	1.7
157.10092	1.7
159.11707	8.0
161.09615	1.3
161.13281	1.1
163.11172	10.0
169.10162	1.3
171.11699	1.8
173.04482	1.7
173.13286	2.8
177.12778	2.1
179.14270	1.1
181.12257	7.8
183.11751	2.0
184.07349	20.8
195.13818	4.3
197.13243	1.1
199.13286	1.6
213.14857	1.4
227.12737	1.7
233.15529	0.9
239.17860	1.6
247.20821	0.9
255.15924	59.1
256.16434	1.0
257.18930	4.8
267.15945	1.6
269.17493	14.5
275.20084	15.0
293.21091	1.5
331.22714	1.0
349.23666	6.7
351.21494	1.0
367.24658	1.2
425.25394	0.9
435.27432	19.2
449.28989	100.0
450.29468	1.9
462.36011	0.8
473.29028	1.1
511.34335	1.0
529.35266	18.6
547.36371	5.3
593.33441	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	744.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
54.76143	1.2
55.01870	7.3
55.05510	28.4
57.03432	25.9
57.07068	3.2
61.02909	3.3
65.03931	3.3
67.05499	80.6
69.03427	8.3
69.07060	33.9
70.29278	6.0
70.98553	1.3
71.01339	4.4
71.04986	6.3
79.05488	73.0
80.41378	1.3
81.03419	13.9
81.07048	70.1
83.04974	17.2
83.08617	14.1
85.02891	6.7
85.06525	4.7
86.09703	6.0
88.94735	1.5
91.03970	1.4
91.05473	44.8
91.06052	2.8
93.07036	88.5
93.92553	1.3
95.04951	15.0
95.08602	27.4
97.02863	3.4
97.06524	24.8
97.10162	15.5
97.37914	1.3
99.04469	3.0
99.08072	3.6
105.04519	3.5
105.07025	28.4
107.04922	8.8
107.08581	57.2
109.02885	1.8
109.06524	5.2
109.10143	12.3
111.08082	4.5
117.07011	19.2
119.08572	24.6
121.06498	5.9
121.10138	20.0
123.08100	2.1
123.11720	3.2
124.99998	4.0
125.09624	5.9
127.03910	4.1
129.06993	4.9
129.93555	1.2
130.07750	2.4
131.08572	15.4
133.10110	19.2
135.08060	6.1
135.11678	63.4
137.09572	2.8
141.06967	2.1
143.08574	3.9
145.10095	20.3
145.27887	1.2
147.08076	2.1
147.11656	7.1
149.09621	15.9
149.13264	8.4
153.09055	1.3
153.12665	3.3
155.08607	2.6
157.10104	4.0
159.11649	12.6
161.09566	1.4
161.13200	2.9
163.11162	16.0
169.10185	2.0
171.11658	2.8
173.04465	2.2
173.13231	3.7
175.11218	1.6
177.12726	4.0
181.12169	15.8
183.11717	2.9
184.07353	25.9
193.04893	1.8
195.13811	5.5
199.13295	2.8
227.12810	3.5
229.19571	1.5
239.17969	2.1
247.20554	1.9
253.14360	1.8
255.15900	90.9
257.19055	9.4
267.15894	1.9
269.17447	13.0
275.20041	27.0
293.21143	3.2
296.70081	1.4
309.20541	2.2
317.33643	1.5
331.22519	2.6
349.23679	17.6
356.97769	1.7
367.24664	1.8
392.71948	1.4
409.25983	1.8
425.24899	2.1
431.28198	2.5
435.27393	31.3
449.28964	100.0
473.28622	1.5
487.18762	3.2
489.32144	7.1
511.33896	1.8
529.35175	32.8
547.36151	8.9
567.29620	1.5
744.43353	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01856	4.2
55.05511	22.8
57.03175	3.8
57.03427	14.0
57.07074	3.8
60.08154	2.8
61.02908	3.8
65.03930	3.6
67.05502	86.0
69.07065	33.1
79.05042	5.2
79.05488	71.2
81.03414	11.5
81.07052	100.0
83.04977	6.5
83.08639	16.1
84.72650	2.7
85.02884	3.7
85.06546	5.2
86.09691	10.5
91.05474	58.5
93.06451	4.3
93.07041	89.1
95.04948	11.6
95.08600	36.3
97.02824	2.9
97.06501	11.3
99.08076	5.7
105.07024	65.7
107.04949	4.4
107.08594	48.6
109.06500	6.9
109.10159	14.1
111.08104	7.2
117.06995	25.2
119.01566	2.6
119.08583	48.5
121.06564	4.0
121.10137	35.1
123.08026	4.1
123.11668	7.2
125.00008	9.6
129.06993	11.1
131.08571	29.6
133.10133	47.5
135.11687	19.9
140.07611	2.5
143.08563	7.0
145.10129	17.2
147.04388	16.2
147.10594	2.5
147.11664	49.4
148.04723	2.9
149.09648	3.6
149.13248	35.6
157.10107	8.6
159.11696	26.5
161.13263	22.7
163.11195	3.3
163.14839	3.9
169.10054	3.7
171.11684	9.9
173.13228	13.2
175.14842	8.3
177.12770	3.9
184.07306	36.9
185.13200	6.6
187.14824	4.0
195.13745	11.6
199.14775	3.4
215.09309	3.1
231.21158	6.1
241.19540	25.1
259.20569	64.1
267.15836	14.3
269.17480	74.3
269.20432	3.6
315.23294	4.4
330.64929	2.9
333.24231	52.0
335.25842	6.0
410.37585	3.3
435.32382	6.5
453.33624	6.9
509.36121	3.1
522.62128	3.0
527.37219	61.5
528.37109	3.6
545.38544	19.0
550.12225	3.4
577.98566	2.7
694.05310	3.3
694.93872	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01869	4.7
55.05511	27.6
57.03439	15.9
57.07066	4.3
57.45325	1.8
57.96292	1.7
61.02907	5.1
61.04457	1.8
65.03925	5.8
66.95185	1.9
67.05498	81.0
68.05843	1.9
69.03407	3.5
69.07059	23.4
71.04977	5.7
71.72857	3.1
71.81268	2.0
73.02910	2.1
77.45003	1.7
78.27676	1.7
79.05489	63.2
79.77973	1.8
80.05825	2.6
81.03411	18.0
81.07048	100.0
81.15051	1.7
82.07368	2.0
83.04963	8.2
83.08607	22.9
84.20439	1.9
85.02875	3.7
85.06520	5.2
85.59813	1.8
86.09685	7.0
91.03932	2.1
91.05473	70.0
92.05792	2.9
93.07034	82.9
93.08256	2.5
93.94475	1.7
95.04957	15.7
95.08015	2.9
95.08596	47.0
96.08869	3.0
97.02882	3.9
97.06511	8.8
97.10152	6.1
99.08086	2.9
105.06338	3.5
105.07021	54.9
107.04923	4.8
107.08588	45.6
109.06495	5.3
109.10163	16.8
111.04404	1.8
111.08061	8.1
115.05446	2.1
117.07018	21.5
119.04948	4.8
119.08572	38.1
121.06496	5.8
121.10130	30.5
123.08070	3.0
123.11732	4.7
124.99994	4.3
125.09580	2.6
129.06981	10.1
131.08551	28.7
133.06441	2.0
133.10112	44.5
135.08044	4.5
135.11681	24.1
137.09570	2.2
139.11229	1.9
141.06921	2.2
142.07852	2.3
143.08553	5.7
145.10095	16.3
147.04407	19.5
147.11668	31.8
148.04742	5.6
149.13246	23.2
151.10051	2.0
151.11186	3.4
155.08466	2.2
157.10083	10.9
159.11681	25.3
161.13266	15.0
163.14798	3.3
165.12724	2.5
169.10133	2.1
170.58052	2.2
171.11656	12.1
173.13255	9.0
175.11169	2.1
175.14864	9.3
177.12729	4.9
184.07359	24.5
185.13283	5.6
187.14867	2.8
193.12247	3.9
195.13792	15.5
199.14793	3.1
201.16328	2.4
211.13126	2.8
215.17921	3.2
217.15800	2.0
219.17532	3.1
221.13284	2.5
231.21083	3.9
241.19566	19.5
259.20557	56.7
260.21201	2.7
261.22061	3.6
267.15906	21.6
269.17441	71.6
270.17822	3.6
275.20065	4.7
285.16922	5.3
315.23166	6.2
317.24915	2.4
333.20267	3.1
333.24228	63.5
334.24628	2.9
335.25760	20.3
435.32581	5.2
453.33563	3.4
457.59872	1.9
471.34540	3.7
509.36487	3.5
527.37219	52.7
528.37341	5.3
545.38318	22.9
655.12427	2.3
746.49811	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	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01858	1.5
55.05506	10.6
57.03206	0.7
57.03433	9.3
57.07057	1.4
61.02908	1.7
65.03910	1.2
67.05496	32.5
69.03409	2.6
69.07064	8.3
70.04144	1.2
70.04557	2.9
70.07400	0.8
71.04984	3.2
71.05337	0.6
79.05025	1.3
79.05481	23.0
81.03408	30.1
81.07047	32.7
83.04974	7.6
83.08611	13.9
85.02898	11.4
85.06540	1.3
91.03932	0.8
91.05472	21.8
93.07035	24.9
95.04958	15.1
95.08598	21.5
96.08890	0.9
97.02890	2.1
97.06510	2.3
97.10150	2.4
98.20873	1.1
99.08109	1.0
100.44232	0.6
105.07014	13.2
107.04942	2.7
107.08585	12.9
109.06491	2.5
109.10138	7.7
111.04460	1.4
111.08058	5.5
113.06013	1.1
115.05444	0.9
117.07001	2.8
119.08566	10.9
121.06509	0.8
121.10136	10.8
123.08073	1.9
123.11701	3.2
124.51962	0.7
125.09622	1.9
129.06990	5.2
131.08549	7.8
133.06464	1.5
133.10104	8.6
135.11687	6.2
136.11964	0.9
137.09573	1.4
140.15349	0.7
145.10091	3.4
147.04474	2.0
147.08017	1.3
147.11681	7.3
149.09604	3.7
149.13261	2.8
157.10097	7.5
159.11688	1.9
161.13234	2.0
163.11143	1.5
163.14804	1.4
164.11501	0.7
165.12738	2.3
173.13278	2.1
175.11189	6.1
175.14842	1.5
184.07373	1.5
187.14719	1.2
193.12216	22.3
193.14014	1.1
211.13264	32.5
211.64282	0.9
227.12724	2.4
228.13214	0.9
243.21088	1.7
261.22107	5.9
267.15872	8.4
283.15363	2.1
284.15897	1.3
285.16934	35.4
286.17352	0.8
317.24677	2.0
335.25769	60.9
336.26001	4.4
337.26553	1.5
453.33533	1.5
471.34753	0.9
527.37329	7.1
545.38300	100.0
546.38617	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	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
53.19457	0.8
54.44315	1.0
55.01859	1.3
55.05506	13.8
57.03213	0.9
57.03434	10.1
57.07068	1.9
59.31660	0.8
61.02903	3.3
65.03954	1.9
67.05498	54.9
69.03423	1.6
69.06699	1.4
69.07057	21.5
71.04989	4.9
79.05486	35.5
81.03412	1.7
81.07048	100.0
83.04982	6.0
83.08609	12.2
85.02885	2.7
85.06557	6.4
91.05468	30.1
93.07037	35.7
95.04942	4.0
95.08601	40.1
97.06526	5.6
97.10159	2.3
99.08076	4.7
105.07021	40.7
105.07734	2.2
107.08581	24.5
109.06505	4.0
109.10159	13.3
111.08081	1.2
113.05944	1.2
115.05385	1.1
117.07004	4.5
119.08568	30.2
121.10127	32.0
122.10493	1.2
123.08069	4.6
123.11700	29.9
127.07538	2.4
129.06952	1.6
131.08553	8.5
133.10120	8.5
135.11667	7.8
137.09612	1.3
137.13234	2.6
141.09090	1.0
145.10104	4.9
147.11671	65.3
149.09520	1.0
149.13197	5.5
157.10109	2.2
159.11662	5.2
161.13246	3.4
163.14798	3.2
165.12747	29.5
173.13234	4.2
175.11137	3.1
175.14778	1.7
177.16331	1.1
183.13724	1.9
187.14832	2.4
193.12285	2.1
201.16298	1.6
229.14384	7.0
229.77231	1.1
243.21085	5.6
261.22110	23.7
267.15894	69.0
268.16293	2.4
279.23212	3.0
285.16934	96.3
286.17178	2.7
317.24612	2.6
335.25769	87.3
336.26041	5.0
353.26746	2.3
435.32037	1.2
453.33615	2.3
471.34552	1.5
527.37366	6.1
545.38385	64.4
546.38556	4.1
563.39539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
55.01866	3.7
55.05507	30.3
57.03431	21.4
61.02913	5.8
62.79520	1.4
65.03927	3.1
67.05497	75.5
69.03416	6.3
69.07056	13.6
70.32595	3.0
71.04974	6.3
73.02885	2.1
79.05027	3.1
79.05483	58.4
81.03409	71.7
81.07047	65.1
82.03727	1.5
83.04967	21.1
83.08606	31.7
85.02898	31.8
85.06532	3.4
91.03962	2.3
91.05471	57.5
93.07031	53.8
95.04951	26.5
95.08591	45.9
97.02893	6.7
97.06510	6.9
97.10142	6.0
105.07018	36.2
107.04947	7.3
107.08583	26.4
107.09258	2.5
109.06512	7.6
109.10146	14.6
111.04420	2.9
111.08069	10.7
113.06030	1.7
113.48454	1.5
115.05465	3.8
117.07008	5.0
119.04956	1.4
119.08573	31.8
121.06530	2.5
121.10137	27.5
123.08085	2.9
123.11713	4.4
125.09623	2.1
129.06989	13.5
131.08549	22.3
133.06523	3.3
133.10107	18.0
135.11694	9.3
137.09595	2.4
137.13261	2.9
142.07726	3.3
145.10075	8.7
147.08066	3.7
147.11674	21.1
149.09592	6.3
149.13269	4.4
155.08510	1.6
157.10095	17.8
159.11676	5.0
161.13284	4.4
162.51172	1.4
163.11223	2.2
163.14851	2.2
165.12766	4.0
173.13263	3.9
175.11163	13.0
176.22064	1.5
185.13390	1.3
193.12213	49.6
209.81496	1.3
211.13263	79.0
212.13612	3.2
227.12921	1.5
243.21051	2.9
261.22125	12.9
267.15881	16.8
267.20450	1.4
280.78665	1.4
285.16940	91.4
286.17221	4.5
317.24863	2.6
335.25769	87.1
336.26102	5.0
410.13126	1.7
413.91724	1.4
453.33743	2.2
527.37238	12.0
545.38300	100.0
546.38757	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	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
54.47357	0.4
55.01869	3.7
55.05505	23.5
57.03431	20.5
57.03717	0.8
57.07064	2.0
57.23176	0.5
59.04994	1.5
61.02912	5.3
65.03936	3.4
67.05496	71.0
68.05839	0.8
69.03428	4.7
69.07058	17.2
71.01366	0.7
71.04984	5.3
71.08625	0.6
71.45925	1.4
73.02905	1.5
73.06512	0.6
77.03893	0.9
79.05483	55.5
79.14762	0.5
81.03408	56.0
81.07045	70.3
82.03763	0.8
82.07397	0.8
83.04971	14.0
83.08106	1.1
83.08609	23.2
85.02895	24.7
85.06529	3.5
86.09689	0.9
91.03939	1.7
91.05468	45.8
92.05787	0.6
93.07033	55.6
95.04958	25.9
95.08595	42.9
97.02871	4.9
97.06523	5.8
97.10163	4.2
99.08094	1.8
101.05994	0.5
103.05460	1.3
105.04527	0.9
105.07018	31.8
107.04957	6.9
107.08581	27.8
108.08924	0.6
109.06515	5.0
109.10140	18.0
111.04433	2.7
111.08067	9.3
112.25722	0.5
113.05997	2.0
115.05444	1.9
116.06205	0.7
117.07001	7.7
119.04987	1.1
119.08567	27.7
121.06500	2.0
121.10122	23.2
122.10461	0.5
123.08095	2.9
123.11694	5.1
124.99995	0.6
125.09621	1.9
127.03880	1.3
127.07529	0.6
128.06253	1.0
129.06993	10.6
131.07550	0.9
131.08556	18.1
133.06493	2.4
133.10109	17.9
135.08046	1.1
135.11670	10.9
137.09621	1.8
137.13248	1.7
141.07068	0.7
142.07768	3.1
143.08553	1.4
145.10115	7.7
147.04405	1.0
147.08017	3.0
147.11667	18.9
149.09589	5.7
149.13246	5.8
151.11182	1.0
155.08553	1.1
157.10109	12.2
159.11687	4.9
161.13223	3.7
163.11166	0.7
163.14804	2.7
165.12721	3.5
169.10133	0.5
171.11658	1.1
173.09563	0.7
173.13254	3.8
175.11177	12.0
175.14850	2.1
177.12750	1.0
177.16403	0.8
183.11731	0.9
184.07372	1.5
185.13326	0.8
186.24757	0.5
187.14816	2.1
189.11208	0.8
191.14394	0.6
193.12222	35.7
194.12488	1.1
195.13808	0.7
201.16357	0.6
205.16014	0.7
211.13269	50.8
212.13629	1.7
219.17218	0.5
227.12799	1.0
241.19617	0.6
243.21057	3.2
249.14769	0.7
259.20654	1.3
261.22125	10.9
267.15875	14.0
267.18796	0.7
269.17371	2.6
277.21616	1.3
279.23251	0.6
285.16934	55.5
286.17365	1.9
299.23724	0.8
301.25140	0.7
317.24765	3.0
333.24109	0.6
335.25766	95.4
336.26065	4.3
351.25287	1.2
417.31403	1.1
435.32858	1.5
453.33530	1.9
471.34842	1.1
509.36008	0.8
527.29755	0.9
527.37311	12.6
528.37689	1.0
545.38324	100.0
546.38617	6.9
693.00922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22545	0.7
53.03939	1.9
54.76181	0.7
55.01838	0.9
55.05251	0.8
55.05507	13.9
57.03175	0.8
57.03429	11.9
57.04963	0.7
57.07064	2.2
61.02913	2.8
65.03923	2.0
67.05499	52.1
69.06701	1.2
69.07061	20.6
70.90407	2.0
71.04976	3.1
73.02921	0.8
75.27050	0.7
77.03935	0.8
79.05486	31.1
80.31076	0.8
81.03394	1.1
81.07049	88.8
82.07381	1.0
83.04970	5.3
83.08604	8.8
85.02883	2.9
85.06544	4.1
91.05473	26.4
93.07037	34.6
95.04956	4.7
95.08597	41.7
97.02871	1.0
97.06525	5.8
97.10147	2.1
98.21382	0.8
99.08065	2.9
101.06001	0.9
103.85451	0.7
105.07020	31.3
107.08587	20.9
109.06518	3.7
109.10145	11.1
111.08092	1.3
113.05979	0.7
115.05438	0.9
117.06996	3.0
119.08570	27.2
121.10135	24.8
123.08047	3.5
123.11702	21.5
125.09560	1.5
127.07537	1.8
129.06995	1.5
131.08549	7.3
133.10103	7.8
135.11682	8.6
137.09596	1.2
137.13214	2.8
141.09082	0.9
145.10101	6.1
147.11673	50.5
148.02480	1.0
148.12006	1.6
149.13258	4.7
153.12717	0.9
155.32773	0.8
157.10101	2.0
159.11732	3.5
161.13252	2.7
163.11198	0.9
163.14790	2.2
165.11356	1.1
165.12737	16.8
168.69807	0.8
173.13190	2.5
175.11223	1.9
175.14771	0.7
183.13834	2.4
187.14836	2.1
188.20197	0.8
193.12271	1.2
229.14325	4.4
243.21111	2.9
261.22110	16.3
267.15891	53.0
268.16193	3.1
277.53662	0.7
279.23212	1.4
285.16940	50.0
286.17245	1.4
317.24731	2.8
335.25772	100.0
336.26074	5.4
453.33279	1.0
471.34329	1.1
500.51898	1.1
527.37213	3.1
545.38342	48.6
546.38965	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	742.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85645	1.0
54.11263	1.0
55.01865	5.7
55.05505	16.2
57.03215	1.1
57.03433	11.2
57.07054	1.3
58.55247	1.1
65.03925	1.3
67.05499	21.4
69.03412	4.1
69.07063	7.7
71.04982	5.0
71.70126	1.3
71.70483	1.4
79.05484	27.1
81.03412	58.1
81.07053	23.1
83.04987	6.7
83.08614	17.9
85.02887	4.7
85.06516	2.0
91.05470	20.6
93.07037	20.3
94.61660	1.0
95.04955	28.9
95.08598	11.7
97.02866	2.7
97.06504	4.1
97.10165	16.2
98.63132	1.2
105.07029	17.1
107.04942	21.8
107.08580	14.0
107.52315	1.0
109.06516	19.2
109.10151	7.8
111.04402	2.6
111.08076	6.8
113.05927	1.1
115.05409	1.8
117.07039	6.5
119.04962	1.5
119.08581	14.3
119.09357	2.2
121.06509	14.0
121.10143	12.0
123.04397	2.3
123.08051	5.6
123.11678	1.9
125.06032	1.3
125.09623	14.1
129.06982	9.6
131.04875	3.4
131.08562	13.7
133.06493	5.0
133.10118	7.7
135.08040	9.7
135.11688	2.8
137.05991	2.1
139.03903	1.3
139.11192	2.7
141.06953	2.1
142.07753	1.7
142.17262	1.1
143.08566	3.1
145.06436	4.9
145.10094	4.4
147.04375	4.0
147.08089	5.7
147.11671	8.8
149.09595	8.0
151.07468	1.2
153.09068	3.1
155.08623	2.3
155.37163	1.1
157.06480	1.2
157.10118	7.0
159.08025	3.5
159.11685	2.4
161.05963	1.8
161.09599	2.4
163.03986	1.1
163.11148	4.7
165.12791	1.9
167.10666	1.0
169.10147	1.7
171.08028	2.1
171.11607	1.2
173.09590	2.3
173.13179	2.4
175.11197	9.3
177.12704	1.7
185.13245	1.3
187.14734	1.0
189.11198	6.8
189.12685	1.7
191.14267	4.6
193.12228	18.4
195.11798	2.1
197.13283	1.6
199.11226	2.8
201.12738	1.5
205.12154	1.4
209.11624	1.6
211.11357	1.9
211.13177	6.5
215.14320	2.3
219.13748	15.0
223.13150	1.5
227.12689	2.5
233.15233	2.1
235.13083	1.6
237.12698	1.7
237.14940	1.6
249.14893	1.4
255.13730	1.4
257.15622	1.7
259.15396	9.2
267.15903	44.8
273.14822	6.2
275.16388	2.1
285.16965	1.6
293.17480	7.7
321.22177	1.1
339.23087	1.7
349.21722	5.2
357.24075	1.8
367.22675	15.4
385.23682	25.6
403.24817	7.7
433.25766	1.7
441.26175	7.6
451.26724	4.2
459.27399	97.0
460.27597	2.6
477.28461	100.0
478.28821	2.0
491.30054	9.5
495.29535	7.1
501.28104	2.3
502.73685	1.2
509.30917	1.7
567.29041	1.3
585.30316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01859	0.3
55.05508	4.8
57.03421	0.9
57.07066	0.4
65.03913	1.3
67.05498	11.4
69.07061	5.4
70.80499	0.9
71.04981	0.9
79.05481	5.1
80.05809	0.3
81.03419	0.3
81.07050	11.9
83.04991	0.6
83.08617	3.0
85.06511	0.7
90.05988	0.3
91.05473	12.3
93.07035	5.2
95.04955	1.2
95.08017	0.5
95.08599	8.8
96.08951	0.3
97.06518	1.2
97.10159	2.0
105.07024	2.9
107.04944	1.5
107.08572	3.7
109.06470	0.3
109.10136	4.6
111.08052	0.7
111.11729	0.6
117.06995	0.8
119.04931	20.2
119.08559	2.1
119.86137	0.3
120.05253	0.4
120.91094	0.3
121.10136	3.2
123.04449	0.4
123.08128	0.4
123.11702	1.7
124.60154	0.3
131.08589	1.4
133.06456	0.3
133.10107	2.2
134.10323	0.3
135.11687	2.5
137.09631	0.7
137.13213	0.3
139.11223	0.3
145.06487	0.3
145.10118	0.7
147.04391	100.0
147.11644	1.2
148.04703	1.7
149.13249	1.3
151.11165	0.8
157.06468	0.3
157.10115	0.4
159.11755	0.4
161.13228	0.6
165.05484	1.7
173.13216	0.4
177.12788	0.3
185.06012	0.5
195.13921	0.3
203.64322	0.3
215.17905	0.8
217.19479	0.5
221.07996	0.4
233.19025	0.7
235.20584	0.8
251.20047	1.2
274.84579	0.3
280.77029	0.3
282.75616	0.3
285.17123	0.3
307.22650	1.0
309.24173	4.2
325.23846	2.1
325.27411	0.4
335.26004	0.5
469.52039	0.3
471.27426	1.1
473.28925	1.4
495.91809	0.3
544.36877	0.6
545.37964	0.6
559.43597	1.0
577.44678	3.0
723.47589	0.8
741.43054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01845	0.4
55.05505	4.9
57.03418	0.7
57.07059	0.8
57.92579	0.2
64.93011	0.3
65.03927	1.6
66.85849	0.2
67.05498	12.4
68.05820	0.4
69.07060	6.7
71.04970	1.0
79.05491	6.2
80.05804	0.3
81.03385	0.6
81.07047	13.6
81.43409	0.2
82.07376	0.5
83.04974	0.9
83.08611	3.5
85.06525	0.8
86.09702	0.3
91.05471	12.6
92.05786	0.5
93.06435	0.4
93.07033	7.4
94.07359	0.4
95.04949	1.4
95.08597	10.9
96.08863	0.3
97.02872	0.3
97.06526	1.6
97.10163	1.8
99.08098	0.3
105.07023	4.0
106.07328	0.5
107.04946	2.4
107.08041	0.3
107.08593	3.0
109.06529	0.6
109.10144	4.4
111.08060	0.8
111.11726	0.4
117.07005	1.2
119.04932	20.4
119.08562	2.4
120.05222	0.4
121.10128	4.5
122.10466	0.3
123.11685	1.4
125.00024	0.3
125.09618	0.3
131.08568	1.4
133.10117	2.9
134.10420	0.3
135.07991	0.3
135.11697	2.4
137.09575	0.6
145.06505	0.3
145.10095	1.3
147.04393	100.0
147.11674	1.4
148.04718	1.7
149.09619	0.4
149.13232	0.9
151.11182	0.6
157.06590	0.4
157.10159	0.3
159.11716	0.7
160.12099	0.3
161.13187	0.6
163.11148	0.3
165.05461	2.0
165.12737	0.4
173.13255	0.6
175.14774	0.4
184.07358	0.6
215.17987	0.7
217.19656	0.4
219.17480	0.6
220.17776	0.3
221.08054	0.3
233.19009	0.6
235.20628	0.7
251.20044	1.0
258.89804	0.3
267.15851	0.3
269.17450	1.0
270.17828	0.4
275.20035	0.9
276.20389	0.5
307.22614	1.2
309.24213	5.6
310.20807	0.4
310.24399	0.3
325.23703	3.0
327.25345	0.4
335.25894	0.4
350.24313	0.4
356.05652	0.3
471.27490	1.5
473.28839	1.4
543.36816	0.8
544.37207	4.1
545.37988	0.5
559.43744	1.7
577.44641	3.7
631.72235	0.3
723.48071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01866	5.4
55.05510	8.7
57.03438	3.0
65.03934	1.3
66.84834	0.6
67.05501	25.7
69.07066	14.5
71.04980	2.0
71.70102	0.5
71.70510	0.8
73.02917	0.6
79.05489	20.0
81.03432	4.1
81.07053	36.5
83.04978	4.1
83.08617	6.0
85.02892	1.0
85.06556	1.0
91.05475	20.8
92.05778	0.8
93.07041	25.4
95.01328	3.8
95.04960	4.3
95.08020	1.2
95.08601	14.7
97.02854	0.6
97.06523	10.4
97.10165	1.6
99.08059	1.0
103.05460	1.1
105.07026	31.0
107.04948	6.8
107.08585	14.3
109.06509	2.4
109.10147	4.2
109.14365	0.5
111.08079	2.6
113.09652	0.6
114.69512	0.5
117.07017	7.4
119.04926	1.7
119.08575	13.1
121.06483	2.0
121.10149	5.5
123.04413	0.9
123.07252	0.6
123.08066	2.2
123.11706	2.4
125.09589	0.9
129.06995	0.8
131.08559	9.6
133.10126	18.8
135.08076	1.2
135.11714	5.4
137.09660	1.0
141.06926	1.0
143.08585	1.0
145.06512	0.7
145.10120	6.1
147.04387	7.3
147.08058	0.5
147.11674	6.5
149.09647	2.0
149.13266	5.4
151.11191	1.1
157.10124	1.6
159.11682	6.4
161.13277	1.7
163.11157	1.4
165.09122	1.1
169.10103	1.0
171.11739	0.8
173.05780	0.6
173.13263	1.5
177.12759	2.0
179.14308	4.6
183.11661	0.7
184.07253	0.7
187.11145	1.0
195.13779	4.1
197.13330	1.1
209.41708	0.5
227.12909	0.6
244.43466	0.6
251.16470	1.5
257.18948	2.1
269.17474	28.3
275.20044	27.7
279.15967	0.8
283.15414	0.7
293.21164	1.6
335.25882	2.0
349.23779	13.3
397.30667	0.6
523.12708	0.7
543.36816	100.0
544.37372	2.8
561.37970	0.7
622.07312	0.7
687.40710	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	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01870	7.4
55.05507	8.6
57.03437	3.8
57.07052	0.6
60.39808	0.5
65.03931	1.6
67.05143	1.3
67.05503	26.3
69.03413	0.8
69.07066	15.4
70.16393	0.5
71.04991	2.4
75.20841	0.6
79.05490	16.3
81.03420	3.0
81.07055	38.0
83.04969	3.5
83.08610	5.7
85.06549	1.8
91.05478	22.4
93.07040	24.2
95.01324	3.7
95.04973	4.4
95.08601	17.3
97.06528	14.6
97.10178	1.8
99.08092	1.2
103.05473	0.7
104.06233	0.5
105.07024	28.6
107.04947	7.9
107.08588	11.9
109.06540	2.7
109.10139	3.7
111.08073	2.8
113.09668	0.7
117.07005	6.6
119.04919	0.7
119.08573	14.5
121.06502	2.2
121.10135	7.5
123.04450	0.8
123.08123	1.3
123.11693	0.9
125.09669	0.9
129.07010	1.7
131.08565	10.5
133.06508	0.7
133.10121	20.3
135.08075	2.2
135.11707	4.4
137.09689	0.9
139.07547	0.9
143.08589	1.5
145.10127	7.1
147.04422	2.2
147.11665	6.8
149.09651	2.4
149.13252	8.0
155.08594	0.8
157.10168	1.0
159.11670	7.0
161.13245	2.0
163.11191	2.2
165.09146	0.9
169.10080	1.4
173.13290	1.3
174.61864	0.6
177.12782	2.7
179.14296	5.1
183.11670	1.0
185.13432	0.9
187.11203	0.8
195.13817	2.9
197.13393	0.9
219.17502	0.8
239.17981	1.5
247.20607	0.9
251.16452	1.9
257.19058	2.6
269.17468	33.7
275.20047	34.3
276.20551	0.8
279.15988	2.4
283.15399	0.8
293.21158	1.9
302.40918	0.6
331.52179	0.6
335.25858	0.9
349.23752	13.8
428.27209	0.7
525.35858	1.2
533.32690	0.6
543.36810	100.0
544.37250	3.4
561.37341	1.1
599.50293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
53.38645	1.1
55.01884	7.0
55.05510	23.0
57.03436	17.6
57.07075	2.9
59.04987	2.7
61.02918	6.0
65.03950	1.8
67.05502	58.1
69.03422	3.1
69.07065	14.2
69.44006	10.0
69.44414	2.3
71.04984	5.1
73.02935	1.9
79.05486	46.2
81.03423	10.5
81.07052	61.0
83.01335	6.6
83.04984	10.9
83.08617	13.3
85.02902	7.9
88.05473	1.2
91.03959	2.5
91.05472	29.6
92.08807	1.1
93.06443	2.7
93.07039	51.6
95.04947	8.5
95.08601	41.1
95.59995	1.2
95.88408	1.2
97.02877	5.7
97.06526	5.4
97.10152	5.0
99.04465	3.7
105.07017	15.9
107.04956	7.1
107.08588	31.1
107.09267	2.3
109.06533	6.4
109.10155	16.7
111.04500	2.5
111.08102	2.1
117.07018	11.7
119.04923	2.6
119.08569	16.4
121.06512	3.4
121.10138	23.8
123.08073	9.0
123.11700	5.4
125.09644	3.1
129.07005	2.3
131.08537	11.8
133.10138	8.4
133.77599	1.1
135.08067	2.8
135.11679	20.9
137.09549	1.9
137.13220	1.4
143.08554	1.5
145.10104	21.0
147.04381	8.7
147.08022	2.6
147.11684	5.6
148.04774	1.5
149.13269	8.6
149.45978	1.3
153.12732	3.4
157.10143	2.1
159.11684	6.1
161.13275	4.4
163.11172	22.6
163.14818	3.6
173.09590	3.5
173.13251	4.9
177.16370	1.8
181.12256	3.9
184.07301	2.5
185.13251	1.6
187.14836	2.6
189.11269	1.8
191.10683	2.5
209.11740	6.9
227.12712	8.0
243.21098	4.1
259.20554	1.4
261.22119	19.5
267.15970	2.5
283.15399	88.2
284.15610	1.5
299.23743	3.8
317.24707	4.0
335.25778	100.0
336.26202	2.4
362.54111	1.3
451.32166	3.6
469.32907	1.9
525.35724	3.7
543.36761	65.5
544.37244	3.5
561.37701	2.3
600.86389	1.6
736.67316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.6
55.01828	2.2
55.05507	9.6
56.96128	0.5
57.03431	5.7
57.07041	1.3
61.02883	0.7
65.03909	1.2
67.05496	36.4
69.03391	0.8
69.07060	10.6
70.67423	0.7
70.67791	1.7
71.04977	2.5
73.02899	0.9
79.05482	26.9
80.05806	0.6
81.03384	1.2
81.07047	34.5
83.04971	3.1
83.08604	7.8
85.02865	1.0
85.06489	1.2
86.09648	0.8
91.05468	13.6
93.07034	37.7
95.04960	5.5
95.08593	39.9
96.08905	0.6
97.02842	2.2
97.06525	3.4
97.10123	1.4
99.04443	2.8
103.05367	0.7
105.07026	10.3
107.04935	4.6
107.08580	25.8
109.06486	1.4
109.10149	9.3
111.04400	0.8
111.08030	1.0
113.09573	0.6
115.05418	0.5
117.07003	7.4
119.07773	0.5
119.08572	10.3
121.06519	3.2
121.10130	15.9
122.44064	0.6
123.08015	0.9
123.11648	2.3
125.05923	2.3
130.07764	1.0
131.08525	3.1
133.10126	4.4
135.08043	1.3
135.11676	35.0
136.12012	0.6
139.07510	1.1
143.08540	0.7
145.10104	20.3
147.04335	1.8
147.05408	0.6
147.11630	2.5
149.13249	2.8
153.12645	0.7
159.11655	2.0
161.13206	2.0
163.11163	36.3
173.13213	2.1
173.46440	0.5
181.12209	6.3
184.07336	1.3
184.43379	0.5
187.14816	0.8
227.12753	54.0
228.13171	0.9
243.20987	2.0
261.22147	7.4
283.15372	45.8
284.15707	0.7
317.24759	2.4
335.25763	100.0
336.25977	2.9
503.37503	0.6
543.36768	77.4
544.37384	2.4
599.49921	1.2
757.10443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77886	0.8
53.03943	2.2
55.01864	3.3
55.05508	15.5
57.03432	10.7
57.07079	1.6
61.02907	1.2
61.09266	0.8
65.03907	1.7
67.05498	41.2
69.03419	2.7
69.07059	12.5
69.46391	8.3
69.58576	0.8
71.04983	2.3
73.02913	1.2
79.05487	43.3
81.03407	2.2
81.07049	43.5
83.04961	4.6
83.08614	10.2
85.02873	1.6
85.06555	1.4
89.42429	0.9
91.05470	17.6
91.32247	0.9
93.07034	57.2
95.04973	9.1
95.08596	61.1
97.02882	5.0
97.06510	3.4
97.10137	1.3
99.04420	4.5
103.05405	1.1
105.04553	1.1
105.07018	13.5
105.91937	0.8
107.04946	9.4
107.08585	37.4
109.06516	3.0
109.10131	9.3
111.04449	1.1
111.08096	1.9
113.05954	1.3
117.07011	10.1
119.08585	13.8
121.06470	5.8
121.10133	21.7
123.08131	1.1
123.11684	3.6
125.05988	2.4
130.07741	2.5
131.08507	4.7
133.10117	7.0
135.08060	2.4
135.11679	53.7
136.12039	1.0
137.13229	1.2
139.07506	2.4
143.08575	1.0
145.10107	30.7
147.04387	2.2
147.11690	2.3
149.13286	4.4
149.25955	0.8
159.11688	2.7
161.13289	2.1
163.11172	61.9
173.13251	2.0
181.12213	8.7
184.07405	1.2
185.49979	0.8
187.14876	1.1
209.11731	2.4
227.12762	87.5
243.21111	2.1
261.22131	7.9
283.15375	94.7
284.15759	1.4
317.24612	2.1
335.25769	100.0
336.26132	2.8
543.36774	87.1
544.36987	2.4
678.42627	0.9
718.94330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01865	1.7
55.05502	8.2
56.92895	0.6
57.03431	4.6
57.07053	1.3
59.04990	1.1
61.02907	0.6
65.03936	0.8
67.05495	24.3
67.05852	1.4
68.05821	0.7
69.03419	1.1
69.07061	4.8
70.67883	1.8
70.68257	1.1
71.04983	11.2
74.40919	0.6
77.03905	0.6
79.05482	14.5
81.03409	21.4
81.07047	38.6
82.07379	0.6
83.04987	3.3
83.08611	7.8
84.22654	0.6
85.02894	1.0
85.06538	4.2
87.04458	1.5
91.05470	16.1
93.00114	0.6
93.07036	10.4
95.04962	12.7
95.08594	7.9
97.02887	1.2
97.06509	3.3
97.10160	3.7
99.08060	1.1
105.07020	11.3
107.04940	7.4
107.08576	8.7
109.06510	7.3
109.10137	6.3
111.04446	2.0
111.08075	2.5
117.07021	3.4
119.08588	6.8
121.06488	6.6
121.10143	6.5
123.08064	2.6
123.11674	5.0
125.09613	3.3
128.06180	0.7
129.05502	0.6
129.06992	5.1
129.56311	0.6
131.04919	1.1
131.08540	7.9
133.06476	2.0
133.10112	9.7
135.08081	3.6
135.11688	1.7
137.09605	0.8
141.06946	0.7
143.08495	1.8
145.06453	2.0
145.10051	3.2
147.04408	1.7
147.08046	2.8
147.11688	4.6
149.09612	1.9
149.13274	1.8
151.11162	2.4
153.05481	0.6
155.08594	1.5
157.06537	0.7
157.10127	3.7
159.08044	1.0
159.11699	2.3
161.09628	1.2
163.11171	2.8
165.12790	1.0
169.10149	1.0
169.12280	1.0
171.07968	0.7
171.11693	1.7
173.09547	1.1
173.11813	0.8
173.13255	2.1
175.11177	2.5
177.12753	1.9
179.14261	0.7
183.11656	1.4
185.09583	0.6
185.13248	1.1
187.13283	1.0
189.11174	1.5
191.14322	2.2
193.12244	4.7
195.11810	0.6
195.13722	0.7
197.13243	0.8
199.11287	0.9
201.14577	0.8
201.16389	0.7
205.12128	1.7
213.12738	0.9
217.15970	1.3
219.13812	3.5
223.13162	1.1
227.12762	1.4
229.14334	1.8
231.13748	1.2
233.15405	0.8
237.14946	0.7
243.15952	0.9
249.14989	1.3
257.17477	1.0
267.15872	12.3
267.18463	0.9
269.17474	1.6
273.18451	0.8
275.16461	1.5
277.18045	0.7
285.16916	1.3
301.14706	0.8
301.20102	3.2
314.38800	0.6
315.23172	0.7
325.21576	0.9
343.22614	4.7
351.23209	1.4
361.23956	1.3
369.24185	2.8
371.26074	0.9
387.25211	1.8
407.25928	1.6
416.34839	0.7
417.26373	4.0
425.26727	2.0
435.27396	17.1
439.26807	3.7
443.27966	10.3
444.28296	0.9
461.28934	100.0
462.23694	0.7
462.29404	5.5
475.30582	1.1
493.31323	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	740.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.8
55.01867	8.5
55.05507	44.9
55.84941	1.6
57.03173	1.5
57.03432	25.3
57.07062	2.9
57.62766	1.5
59.04729	1.9
59.05001	26.1
61.02909	6.1
64.87390	1.4
65.03927	3.0
67.05500	100.0
69.03423	10.2
69.07070	12.9
71.01362	2.5
71.04987	22.6
72.74011	1.4
73.02937	1.7
75.74812	1.3
77.40020	1.4
79.05031	2.0
79.05487	48.9
81.03411	75.1
81.07052	60.9
83.04969	25.7
83.08614	42.0
85.02894	30.4
85.06525	4.9
87.04462	36.0
91.03934	1.6
91.05470	49.9
93.07037	35.2
95.04402	2.5
95.04964	34.6
95.08601	18.0
97.02879	8.1
97.06507	7.5
97.10162	24.9
99.04446	28.8
99.08074	2.4
101.05997	2.1
105.06347	2.1
105.07024	31.5
107.04946	16.5
107.08579	18.8
107.66151	1.3
108.62720	1.4
109.06509	7.7
109.10148	66.1
111.04420	7.7
111.08073	15.0
113.05976	3.9
114.52243	1.3
115.05444	2.4
117.07027	8.5
119.04924	1.9
119.08567	30.3
121.06498	4.7
121.10139	14.1
123.04411	1.5
123.08057	5.2
123.11713	4.2
125.05994	2.5
125.09617	27.0
127.03885	2.2
127.07523	2.4
129.07002	15.9
131.08556	15.0
132.19060	1.6
133.06450	1.7
133.10121	20.2
135.08080	3.1
135.11668	6.3
137.09616	6.8
142.07800	2.5
143.10574	1.5
145.10106	8.5
147.04379	2.8
147.08038	5.5
147.11681	20.4
147.37509	1.4
149.09621	10.2
149.90669	1.6
153.12718	2.3
155.08562	1.5
155.10667	3.4
157.10126	23.4
157.12180	2.6
163.11108	9.4
165.12726	4.6
173.09560	3.0
173.11745	26.8
175.11171	18.8
181.12199	3.4
191.10651	5.1
193.12228	74.8
199.13269	17.2
209.11667	6.9
211.13278	91.6
217.14340	3.2
223.13200	3.3
227.12766	8.6
229.14337	77.4
241.14326	5.9
247.13164	1.4
249.14830	1.9
267.15894	45.3
277.14609	1.5
283.15390	7.1
285.16962	58.0
293.68985	1.4
301.16409	5.1
313.16486	4.1
315.18073	11.3
383.22162	3.4
391.24509	2.9
409.26077	9.3
421.25772	27.1
427.26874	12.6
439.26904	75.2
447.27808	2.8
457.25824	3.4
459.27353	1.6
461.28885	6.4
475.26874	7.0
479.29721	3.2
493.27621	4.8
511.28888	3.7
525.30341	8.8
543.31415	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	740.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01867	15.2
55.05507	26.4
57.03428	24.3
57.07061	2.6
59.04998	2.5
61.02916	2.7
64.36810	1.2
64.91857	1.0
65.03933	4.2
67.05496	46.7
69.03425	6.6
69.07061	11.5
70.02835	4.0
71.01340	1.5
71.04984	6.3
73.02904	4.5
77.03927	1.1
79.05486	40.4
81.03409	100.0
81.07045	36.7
82.03728	1.2
82.04192	3.2
82.04662	1.0
83.04514	1.9
83.04977	23.9
83.08609	28.3
85.02895	5.0
85.06537	2.9
87.04443	2.2
91.05469	36.6
92.05817	1.2
93.07032	30.2
95.04959	39.9
95.08590	15.4
97.02861	7.3
97.06534	9.5
97.10158	14.8
98.07317	4.9
99.04435	2.4
99.08086	2.5
103.05495	1.5
105.04509	1.0
105.07017	22.6
105.07719	1.3
107.04944	19.3
107.08585	18.7
109.06507	7.7
109.10158	14.1
111.04438	11.0
111.08072	13.1
115.05454	2.5
116.04690	12.6
117.05540	2.6
117.07011	8.5
117.95022	1.0
119.04915	2.2
119.08563	20.1
121.02860	4.3
121.06487	8.7
121.10136	12.0
123.04399	2.6
123.08054	4.7
123.11715	1.9
125.05999	1.8
125.09632	15.3
128.06270	1.1
129.05466	26.2
129.06963	10.8
130.07721	1.1
131.04961	2.2
131.08545	13.3
133.06479	6.6
133.10123	9.5
135.04398	2.2
135.08069	5.3
135.11676	10.8
137.05966	1.9
137.09590	3.6
139.03862	1.5
142.07806	3.1
143.06993	5.2
143.08594	2.3
145.06435	2.4
145.10123	7.5
147.04416	2.0
147.08028	7.2
147.11668	13.7
149.05968	1.5
149.09610	8.4
153.09096	1.7
153.12729	15.4
155.08499	1.9
155.10527	1.4
157.08615	10.9
157.10129	12.5
158.05721	1.2
159.08069	1.4
159.11708	1.8
161.05896	1.1
161.09566	1.7
163.11177	15.7
165.12755	2.8
171.06470	1.4
171.10144	4.3
171.11502	1.3
173.09645	3.3
173.11729	3.0
173.13112	1.6
175.11200	14.3
181.12218	14.5
183.11638	2.2
189.11183	8.7
189.12694	1.4
191.10657	8.5
193.12230	37.0
193.14014	1.9
199.13268	5.9
200.13962	1.3
201.12776	3.1
201.14723	1.3
209.11728	7.1
211.13283	9.6
219.13811	3.5
225.14862	1.2
227.12752	32.0
229.12244	2.0
229.14288	10.8
231.13846	2.0
235.13245	1.7
241.14336	1.5
242.60526	1.1
247.13272	21.6
249.14865	4.4
255.15952	1.3
259.13196	1.5
265.14328	2.3
267.15881	67.1
268.16299	1.9
269.17450	1.6
283.15353	12.6
285.16974	4.4
301.16443	28.8
301.19910	1.9
302.16550	1.0
321.16843	7.6
339.18079	1.9
349.19962	1.3
355.22763	1.5
383.22116	4.5
401.23193	2.3
421.25439	1.0
439.26584	1.4
457.26074	1.3
458.26492	1.8
459.27243	2.8
460.27722	1.2
461.28922	5.5
466.28903	1.0
475.26813	9.9
476.27731	2.2
479.29742	2.1
493.27887	34.5
494.27808	1.7
525.30719	2.3
639.77625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
55.01861	6.1
55.05510	41.5
57.03432	26.1
57.07066	2.2
59.04733	1.9
59.05001	33.7
61.02922	6.0
65.83736	1.4
67.05500	100.0
69.03413	8.9
69.07056	12.4
71.01338	2.2
71.04987	17.5
71.29862	3.0
73.02942	2.2
75.34800	1.6
79.05491	52.5
81.03413	72.1
81.07053	58.2
83.04984	22.6
83.08620	31.1
85.02897	26.7
85.06528	4.4
87.03963	3.1
87.04463	39.6
91.03982	3.6
91.05476	48.3
93.07039	31.1
95.04412	3.1
95.04964	32.7
95.08601	20.4
97.02879	9.8
97.06515	10.5
97.10163	20.0
99.04442	14.1
99.32063	1.5
105.06370	1.8
105.07029	30.7
107.04953	12.2
107.08582	15.5
109.06517	7.0
109.10148	57.5
111.04446	5.5
111.08079	13.6
115.05415	1.9
117.07025	3.7
119.08575	27.8
121.06489	2.7
121.10140	16.1
123.08018	4.3
123.11726	3.2
125.09621	13.9
129.06976	13.3
131.08571	14.9
133.06543	3.9
133.10118	16.0
135.08086	1.9
135.11681	5.4
137.09573	4.1
142.07794	5.3
145.10117	6.9
147.04414	3.8
147.08057	4.4
147.11676	19.2
149.09645	10.3
153.12738	4.0
155.10635	2.9
157.10143	16.5
159.11726	2.7
163.11133	7.8
165.12688	3.4
173.09557	2.5
173.11732	17.9
175.11205	14.8
181.12215	4.4
191.10669	2.7
193.12230	60.3
199.13274	8.4
209.11690	3.5
211.13280	78.1
217.14325	2.4
223.13223	3.0
227.12775	5.4
229.14343	55.1
231.13820	1.6
234.80083	1.5
241.14383	4.4
257.13788	2.1
264.29434	1.7
267.15878	31.1
275.20041	2.4
276.20361	1.6
283.15393	5.3
285.16949	43.0
286.17236	2.5
315.17966	5.0
354.97577	1.7
374.25342	1.6
397.37967	1.7
409.25784	3.3
421.25909	19.1
427.27112	6.3
439.26871	75.5
447.27176	2.2
455.70694	1.9
461.28906	15.6
467.25964	2.0
475.26730	2.3
479.29840	3.2
493.27695	3.0
525.30591	4.3
543.31598	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	739.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.7
55.01867	19.6
55.05505	40.8
57.03433	17.3
57.07075	3.3
61.02925	16.3
61.03180	2.7
65.03927	6.1
67.05144	5.2
67.05500	78.7
67.10923	2.4
68.05809	2.8
69.03419	23.0
69.07062	31.5
71.01358	2.8
71.04980	10.6
73.02902	3.5
76.88825	2.3
79.05487	74.1
81.03413	67.2
81.07048	100.0
82.03719	2.9
82.07372	5.5
83.04971	30.8
83.08604	30.4
85.02901	32.1
85.06528	7.7
89.77675	2.6
91.03935	6.2
91.04928	5.2
91.05472	78.4
92.05827	4.5
93.06441	3.2
93.07037	63.5
95.04963	35.1
95.08608	39.2
97.02895	16.1
97.06538	30.6
97.10155	10.5
98.20760	7.5
99.04453	5.1
99.08102	3.7
103.05431	2.4
105.07022	63.8
107.04945	29.4
107.08585	40.1
109.02941	3.5
109.06509	19.1
109.10162	21.7
110.10458	2.5
111.04427	9.0
111.08025	8.9
113.06046	2.8
115.05437	2.4
117.07011	19.5
117.83481	2.6
119.04845	2.9
119.08566	55.7
121.06483	8.8
121.10133	26.6
123.08060	9.4
123.11719	7.4
125.09625	9.3
127.03912	6.9
128.06189	3.1
129.05482	3.0
129.07028	16.3
131.08551	36.0
133.06482	3.1
133.10129	38.7
135.07997	9.1
135.11674	10.9
137.09613	8.2
141.07025	3.4
142.07759	3.6
143.08572	6.8
145.06543	3.8
145.10123	22.8
147.04434	3.6
147.08069	6.2
147.11668	28.5
149.09602	20.3
149.13223	4.0
151.11160	5.9
153.09058	3.2
155.08606	3.5
157.10107	20.3
159.07983	3.4
159.11696	16.3
161.09616	5.6
161.13208	5.9
163.11176	11.5
165.12764	7.1
169.10153	4.7
171.11621	6.3
173.04497	6.4
173.09711	3.4
173.13286	6.2
175.11168	10.3
177.12892	2.6
183.11674	3.8
187.14665	4.3
189.11218	4.6
193.12227	36.0
195.13797	6.9
199.11200	2.9
211.13260	39.8
211.15132	2.6
212.13452	3.2
227.12770	14.8
229.19461	3.5
239.17987	2.7
247.20616	4.4
257.19022	8.6
267.15845	28.5
269.17462	10.4
273.18500	3.3
275.20059	61.8
276.20386	2.9
283.15213	3.1
285.16904	44.6
291.19424	3.4
293.21255	4.5
319.04257	3.3
331.22729	4.7
331.97708	2.6
349.23709	32.9
367.24591	4.0
424.27762	4.4
437.24945	2.9
461.29092	4.2
467.31470	5.1
470.32507	3.3
479.29730	7.9
485.32813	3.2
501.31631	3.3
511.13083	2.6
541.35394	13.5
559.36218	32.6
577.37250	18.2
623.34479	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	738.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
56.05038	0.4
57.03428	0.4
57.07073	0.6
58.06362	0.2
58.06629	0.5
60.08160	5.4
63.44499	0.2
67.05499	0.7
69.07056	0.3
70.06576	0.3
71.07372	3.1
71.08627	0.7
71.71907	0.3
79.05475	0.4
81.03410	1.5
81.07050	0.8
82.26014	0.2
83.08614	0.6
85.10172	0.4
86.09699	28.9
87.10011	0.2
87.17587	0.2
91.05467	0.4
93.07078	0.3
95.04964	0.5
95.08614	0.7
98.98447	2.6
104.10743	2.2
105.07033	0.3
109.10151	0.3
118.86168	0.2
119.08601	0.3
121.10186	0.2
124.99992	18.2
129.06963	0.3
147.04387	0.5
147.11601	0.3
157.10123	0.2
166.02621	0.2
184.07329	100.0
185.07687	0.5
193.12245	0.6
267.15866	1.9
313.27304	2.4
496.34009	0.3
505.38876	1.8
688.45453	7.2
716.44751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03176	2.4
53.03927	5.9
53.65925	2.0
55.01844	5.2
55.05505	19.5
57.03428	14.4
61.02886	2.0
65.03918	1.9
67.05493	34.4
68.70409	1.5
69.03403	8.1
69.07038	7.9
69.37028	19.8
71.04977	8.5
73.02913	2.0
76.18055	1.8
78.89781	1.6
79.05486	31.8
81.03405	100.0
81.07042	38.5
83.04969	19.4
83.08607	30.4
85.02891	29.9
85.06523	2.4
88.75388	1.7
91.05465	51.7
93.07032	25.9
95.04958	41.9
95.08602	14.0
97.02877	6.6
97.06506	5.1
97.10148	6.8
99.04440	2.5
99.49559	1.7
105.07019	33.1
107.04939	10.0
107.08572	12.8
109.02834	3.5
109.06475	7.1
109.10148	5.2
111.04403	5.6
111.08076	15.7
113.05989	2.2
115.05407	4.1
117.06985	4.6
119.08564	32.0
121.06496	2.8
121.10117	13.0
123.08047	6.3
123.11703	2.2
125.09587	3.7
127.03876	2.0
128.06221	2.9
129.06989	20.9
131.08546	19.8
133.06470	3.6
133.10118	18.2
133.43431	1.7
137.09586	3.0
137.29166	1.8
138.49709	1.6
142.07771	3.4
145.06450	2.2
145.10075	4.6
147.08015	6.3
147.11664	23.9
149.09598	9.8
151.11171	2.8
157.10121	20.4
161.09689	2.8
163.11183	2.3
165.12723	7.2
175.11154	19.9
188.47522	1.7
193.12206	48.5
211.13274	54.2
227.12665	2.5
249.14816	3.5
267.15894	72.4
268.16141	1.7
285.09653	2.0
285.16959	32.3
293.50906	1.7
299.14841	1.9
355.17380	1.9
367.22607	3.3
385.23578	5.9
393.19055	2.5
403.24481	2.1
411.20038	2.0
429.21146	10.8
433.26019	4.2
441.26355	3.1
459.21091	2.9
459.27383	45.3
477.28369	45.3
491.25916	2.6
495.29449	57.9
526.42181	2.0
603.30835	2.1
621.32233	4.5
639.33789	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	737.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.0
55.01869	12.9
55.05510	41.9
57.03432	19.5
59.04998	2.6
61.02916	23.5
65.03916	3.5
67.05501	100.0
69.03424	27.9
69.07066	25.9
69.74027	21.0
71.01377	2.4
71.04983	28.3
73.02915	14.2
75.92472	2.5
79.05487	75.1
81.03410	48.1
81.07050	97.5
83.04974	23.6
83.08611	23.0
85.02904	26.3
85.06532	8.2
87.04460	3.6
91.03958	9.7
91.05473	76.7
93.07036	73.2
95.04957	28.7
95.08598	59.1
97.02888	27.9
97.06519	16.5
97.10164	18.4
99.04448	7.3
99.08072	5.2
101.02338	3.8
105.04500	2.4
105.07021	63.1
105.07726	4.2
107.04941	15.9
107.08584	48.1
109.02893	6.8
109.06509	11.6
109.10145	30.7
111.04427	7.4
111.08095	10.5
115.05449	5.3
117.06994	30.3
119.08568	48.8
121.06481	9.0
121.10132	31.2
123.04375	3.7
123.08061	9.4
123.11686	11.4
125.05967	3.4
125.09641	18.1
125.87333	2.3
127.03916	10.9
128.06184	7.0
129.06992	25.4
130.07793	3.0
131.08559	45.5
133.06480	8.4
133.10129	40.5
135.08022	14.4
135.11691	13.8
137.09598	7.7
139.07533	3.0
141.06946	8.2
142.07768	6.2
143.08560	27.2
145.06488	3.2
145.10115	33.2
147.08047	11.3
147.11662	24.2
149.09631	14.3
149.13277	5.2
151.11183	8.6
153.07161	2.8
153.09047	2.4
155.08531	15.1
156.09364	3.5
157.10110	20.7
159.08012	7.2
159.11671	23.5
161.09624	10.5
161.13277	6.0
163.11142	8.4
165.09081	2.6
165.12778	3.1
167.08571	7.5
169.10123	17.3
171.07848	2.7
171.11658	23.2
173.04453	5.1
173.09618	6.5
173.11810	4.3
173.13264	15.6
175.11166	12.1
175.14891	2.7
177.12769	7.5
179.10573	2.9
181.10138	9.4
183.11656	16.2
184.09003	2.6
185.09593	3.9
185.13275	9.9
187.11153	6.8
187.13315	3.6
187.14836	5.2
189.11200	10.7
193.10248	4.0
193.12247	14.2
195.11665	10.6
195.13475	3.5
197.13255	8.6
199.11261	3.4
199.14809	11.1
201.12766	4.7
201.16367	2.9
209.13266	9.0
211.13188	17.2
211.15007	3.1
213.12794	2.9
221.13344	3.3
223.14909	5.3
225.16432	3.7
227.12692	15.0
229.14349	5.2
237.16518	2.8
245.19016	2.8
247.14882	3.1
253.14256	6.9
259.20657	4.2
267.15894	7.8
273.18607	18.3
275.20010	15.5
283.20569	6.6
285.17105	4.7
285.21875	4.2
287.19901	3.7
291.19580	22.5
299.20255	3.9
299.23697	10.2
301.21344	4.1
313.21600	3.3
321.21838	5.1
347.22452	3.2
349.23926	2.9
365.23154	12.5
415.29770	3.9
421.25833	3.5
423.27411	3.7
429.21085	3.0
433.30966	17.4
443.27661	3.5
451.31805	10.8
461.28848	3.5
469.33255	4.3
499.33859	5.3
507.34348	9.2
511.88254	3.4
517.35144	25.0
525.35803	64.6
526.36346	4.7
536.27399	3.0
539.33978	3.1
543.36774	92.1
544.36786	6.2
557.38721	13.8
575.39941	30.9
679.40265	5.2
687.40753	5.7
705.41528	5.9
719.39984	9.3
737.40460	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	737.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
55.01869	34.6
55.05501	23.2
57.03437	7.7
57.07067	5.4
59.05001	5.0
65.03951	3.5
67.05499	90.1
68.05820	2.3
69.03432	12.2
69.07063	33.7
71.04987	21.5
71.70192	3.2
71.70577	3.4
71.74464	2.3
78.79699	2.3
79.05491	51.1
81.03410	40.1
81.07050	100.0
83.04974	17.8
83.08594	15.3
85.02916	6.6
85.06521	4.6
91.05473	64.5
93.07037	50.2
95.01318	12.0
95.04981	12.0
95.08596	43.8
97.02887	8.8
97.06518	46.4
97.07119	3.5
97.10140	8.2
99.04479	4.2
99.08077	2.7
105.07021	71.5
107.04952	17.7
107.08582	26.1
109.02859	7.2
109.06539	7.5
109.10148	32.4
111.04428	5.4
111.08076	3.2
117.06977	17.1
119.08561	35.0
121.06495	7.2
121.10107	16.3
123.04433	2.4
123.08079	4.5
123.11711	9.3
125.09603	5.4
127.03909	6.0
129.05482	4.7
129.06985	5.5
131.08533	23.2
133.06523	4.4
133.10118	41.5
135.08040	5.1
135.11696	13.4
137.05920	3.7
137.09605	6.4
139.07570	4.9
143.08568	6.0
145.06509	4.0
145.10106	17.3
147.07967	4.0
147.11635	17.0
149.09598	11.2
149.13252	7.0
151.11166	8.6
157.10106	5.8
159.08067	2.8
159.11674	13.9
159.15549	2.3
161.13231	7.5
163.11108	11.8
163.14899	2.3
163.57066	2.3
165.09189	3.1
169.10120	2.5
171.11586	3.5
173.04402	13.7
173.11723	7.8
173.13203	4.2
175.11226	3.4
177.12712	5.9
179.14355	13.0
185.13196	2.6
187.11198	2.9
187.13237	4.1
196.21867	2.6
201.14900	3.2
211.14874	3.0
225.14783	4.3
229.14339	7.8
257.17163	3.2
257.19189	4.7
261.22293	4.0
267.19763	2.5
269.17291	3.7
275.20041	92.4
276.20474	2.9
293.21054	7.1
301.20004	3.3
339.10916	3.1
339.18115	3.5
349.23746	29.4
358.65924	2.6
413.21664	5.9
445.24237	22.9
454.22299	3.4
489.35632	9.5
517.35181	37.0
518.35687	3.2
531.36542	7.6
543.36664	59.7
575.39288	8.6
579.40509	3.3
687.40527	9.7
719.43445	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	736.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01861	0.7
55.05508	15.1
57.03432	6.5
57.07072	45.1
59.04995	1.0
60.04839	0.8
61.02928	5.1
65.03930	2.1
67.05501	61.3
69.03427	1.8
69.07061	12.9
71.04989	23.7
71.08629	32.2
71.61208	1.1
73.06554	0.9
73.29829	0.7
79.05489	12.0
81.03416	1.2
81.07051	100.0
82.07375	1.5
83.04965	3.5
83.08612	16.8
83.64181	0.7
85.02891	3.8
85.06538	10.7
85.10176	19.2
87.04451	1.2
91.03951	0.8
91.05473	20.3
93.07039	13.2
95.04977	2.2
95.08598	30.8
97.02888	2.2
97.06544	4.0
97.10159	6.3
99.08087	1.6
99.11728	1.1
105.07014	10.2
107.08596	9.4
109.06522	1.3
109.10152	15.8
111.08108	1.6
111.11730	0.9
117.07036	2.4
121.10149	3.7
123.11697	18.3
131.08577	3.1
133.10127	14.8
133.11647	0.7
135.11708	1.8
137.13261	1.6
149.13264	3.1
151.11185	7.5
159.11716	3.8
163.82207	0.8
169.12224	1.3
177.12720	2.0
181.15474	0.8
183.13785	4.0
187.13274	3.9
201.14749	1.0
213.15070	0.8
239.23805	2.5
257.17560	2.0
269.17499	3.4
301.20093	17.0
313.27356	17.9
314.27820	0.8
481.38867	76.3
482.39252	4.3
495.40659	2.2
507.40396	6.3
510.59589	0.8
539.43042	85.5
540.43542	4.7
601.72498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	13.4
57.03426	6.3
57.07071	35.0
67.05501	46.0
69.03399	3.4
69.07056	11.0
71.04993	21.6
71.08626	29.8
79.05486	12.1
81.07048	94.1
83.08602	15.8
85.06543	9.0
85.10187	16.6
91.05468	15.9
92.01544	2.5
93.07030	9.5
93.50250	2.4
95.08585	27.9
97.02850	3.0
97.06520	3.0
97.10153	4.9
98.20657	5.6
105.07007	5.9
107.08587	7.5
109.10155	16.0
113.96324	2.5
117.06976	3.4
121.10114	4.9
123.11719	17.3
130.09822	2.5
131.08556	3.0
133.10118	10.1
134.19989	3.1
136.26346	2.9
149.13188	3.8
151.11159	7.5
159.11668	4.1
183.13823	3.0
187.13277	4.8
195.13927	3.7
238.65118	2.4
239.61081	2.6
269.17590	6.2
301.20190	12.1
313.27347	38.7
335.13486	2.8
357.76065	3.2
481.38879	85.2
482.39285	4.6
507.40570	7.4
513.86969	2.9
539.42969	100.0
540.43024	5.4
692.46478	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	732.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66584	0.2
52.77254	0.2
54.81050	0.2
55.26171	0.2
56.05030	0.5
58.06607	0.4
60.08160	5.5
67.05495	0.5
71.07364	2.9
71.70571	0.3
84.04504	0.3
86.09697	28.9
89.06015	0.5
93.07079	0.3
95.08603	0.3
98.98463	2.5
104.10733	1.9
118.09282	0.2
124.99989	18.8
133.08604	0.3
143.01059	0.4
177.11310	0.3
184.07324	100.0
185.07648	0.8
215.19044	0.2
230.17323	0.2
331.91953	0.2
732.48236	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	731.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.06936	0.5
55.01856	0.6
55.05514	1.4
57.03426	1.6
61.02924	5.0
65.90096	0.5
67.05499	5.7
69.03424	3.5
69.07079	1.0
71.05005	1.2
73.02911	4.4
76.09280	0.5
79.05487	3.1
81.03405	2.8
81.07050	6.1
83.04980	0.8
83.08620	1.1
85.02910	5.5
85.06550	0.6
87.04424	0.6
90.41612	0.7
91.03956	2.6
91.05489	2.4
93.07047	5.5
95.04958	1.0
95.08607	2.4
97.02888	4.6
99.04462	0.9
101.02391	1.4
105.07043	1.1
107.08609	3.4
107.87423	0.7
109.02900	1.2
109.10194	1.0
119.08570	1.1
121.10152	2.1
127.03925	1.1
131.08456	0.6
133.10132	1.2
135.11723	2.2
149.13289	1.7
159.11749	0.9
193.12282	0.7
229.88016	0.6
235.13057	1.1
243.08466	1.7
361.86008	0.6
453.20956	4.9
519.29199	8.9
727.59924	0.7
731.43347	100.0
732.43958	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	731.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41387	0.4
53.03931	0.5
53.15446	0.5
55.05502	1.9
55.55502	0.4
57.03421	1.8
57.07038	0.5
61.02924	6.8
67.05495	6.4
69.03420	3.5
69.07053	2.0
70.20260	1.9
71.01341	0.8
71.04973	0.8
71.08617	0.6
73.02914	4.2
73.76143	0.4
78.07831	0.4
79.05489	4.0
81.03408	1.6
81.07053	7.1
83.01341	0.4
83.04973	0.6
83.08596	1.1
85.02891	5.8
91.03949	4.2
91.05491	3.0
91.84037	0.4
92.09111	0.4
93.07034	5.2
95.04969	0.9
95.08592	3.8
97.02885	5.4
97.06490	0.5
99.04440	1.2
101.02382	2.5
105.07025	1.7
107.08597	3.0
109.02890	0.9
109.06493	0.4
109.10138	1.1
116.85295	0.4
117.07029	0.7
119.08545	0.7
121.10157	2.0
123.11655	0.7
127.03912	1.8
131.08534	0.7
133.10109	1.7
135.11613	2.2
137.25339	0.4
149.13258	1.4
159.11575	0.5
165.12737	0.5
185.04269	0.8
193.12314	1.6
195.13867	0.8
215.51479	0.5
235.13150	1.2
240.76607	0.5
243.08313	2.3
323.66556	0.4
335.25833	0.8
453.20956	7.3
519.29169	7.8
575.72784	0.5
707.51196	0.5
731.43341	100.0
732.43719	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	731.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01878	1.7
61.43171	0.5
65.03952	1.6
65.35461	0.6
67.05478	0.6
68.99777	7.3
70.51046	0.6
71.53355	1.0
72.76887	0.6
81.03392	3.2
85.02880	0.7
89.03899	0.7
91.05460	1.3
91.34487	0.5
93.03406	0.8
95.04973	1.6
97.02932	0.6
98.64547	0.5
99.04471	0.9
103.05402	0.8
105.03400	0.9
107.04948	2.1
109.02859	4.5
111.00798	6.7
111.04446	3.0
112.43069	0.5
119.04948	1.2
121.02858	19.4
121.03801	1.3
123.04417	36.3
125.05960	0.7
127.03901	96.7
128.04239	1.2
129.07008	0.7
131.04907	2.6
133.02821	2.5
135.04395	12.7
135.05373	1.1
137.02307	1.7
137.05951	0.7
139.03885	100.0
140.04231	1.5
143.04919	0.8
145.02864	0.8
147.04364	7.1
149.02350	2.7
149.05965	1.4
151.03889	29.9
152.04269	0.7
153.01805	4.5
155.03403	1.8
157.06450	1.1
159.04381	3.4
161.02351	0.7
161.05936	2.1
163.03888	18.3
165.05452	2.0
167.03387	5.8
171.04277	1.0
173.05963	2.6
175.03896	11.1
177.01830	0.7
177.05457	6.2
179.03369	28.5
180.03725	0.8
181.04941	1.3
182.85396	0.7
183.04396	1.3
185.05943	2.2
187.03850	2.9
189.05409	3.3
191.03380	9.2
193.04932	3.8
197.05968	2.1
199.03896	2.3
201.05420	6.8
203.03360	18.3
203.06895	0.9
205.04950	4.5
211.03909	0.7
213.05470	4.8
215.03453	1.7
215.07045	1.5
217.04933	4.6
219.06375	1.4
222.71199	0.5
223.02342	1.2
227.03441	1.0
229.04929	5.3
231.06438	2.9
233.04485	4.3
241.04903	3.1
243.06400	2.4
245.04419	11.4
247.05997	7.7
248.06219	0.6
250.04189	0.6
251.05341	1.0
253.04959	1.6
255.06487	0.9
257.04419	10.5
259.05991	5.8
263.05490	16.0
264.05710	0.6
266.08044	1.0
269.04437	5.5
271.05960	10.5
271.50763	0.6
273.07462	2.0
275.05457	12.7
281.04333	0.7
283.06094	2.9
284.09106	0.7
287.05466	41.2
288.05722	1.3
289.07059	9.8
295.05969	1.0
297.07574	1.1
299.05460	19.6
301.07132	5.2
305.06479	7.0
311.05457	1.3
317.06522	12.2
323.05426	1.8
331.77466	0.8
357.10898	0.9
389.12875	0.8
391.08023	1.1
407.07632	8.1
409.09164	8.5
425.02982	1.0
425.08658	20.4
427.10031	1.9
437.08429	1.3
443.09406	3.6
467.09424	1.0
563.11426	1.5
625.04541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77056	0.1
55.05503	0.3
56.05032	0.8
57.03398	0.1
57.06291	0.1
58.06630	0.4
60.08157	6.2
62.37061	0.1
67.05492	1.0
67.49407	0.1
69.07076	0.3
69.40107	1.5
70.06570	0.2
71.07367	3.5
73.49462	0.1
73.93256	0.1
79.02368	0.1
79.05492	0.4
81.03401	0.2
81.07048	0.7
83.05009	0.2
83.08606	0.2
86.09698	32.0
91.05478	0.5
93.07030	0.6
95.04916	0.1
95.08606	0.5
96.22804	0.1
96.68597	0.1
98.98454	2.9
102.57076	0.1
104.10728	2.2
105.07088	0.2
107.08601	0.2
109.10168	0.2
113.52849	0.1
116.99503	0.2
121.10126	0.2
124.99995	21.0
126.59116	0.1
134.94676	0.1
135.11603	0.2
143.01027	0.2
147.04497	0.2
166.02669	0.2
184.07326	100.0
185.07663	0.6
273.17065	0.2
335.25842	0.4
489.35846	0.3
520.33752	0.3
533.37939	0.3
566.47113	0.2
668.38220	0.2
730.46252	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	730.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.6
58.06621	0.4
60.08160	6.4
67.05488	0.5
71.07367	3.3
71.71502	0.2
79.05476	0.2
81.07050	0.3
86.09698	30.4
87.10035	0.2
91.05468	0.3
93.07038	0.2
95.04961	0.2
95.08584	0.3
98.98452	2.9
104.10737	2.3
105.26509	0.1
106.82932	0.1
107.08546	0.2
109.10142	0.2
119.08523	0.1
124.99992	21.1
143.01077	0.3
157.07184	0.1
161.38708	0.1
162.88617	0.1
166.02722	0.2
175.16301	0.1
184.07326	100.0
185.07672	0.6
188.94936	0.1
300.13229	0.2
460.17075	0.1
468.23331	0.2
518.23114	0.1
547.39307	0.1
551.35150	0.1
567.99591	0.1
730.46570	3.9
731.46613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.43515	0.4
55.01869	1.0
55.05510	1.8
57.03444	2.1
59.05010	0.7
61.02919	4.3
67.05502	5.2
69.03419	3.0
69.07055	2.0
71.01344	0.6
71.04980	2.6
71.71254	0.5
73.02902	3.2
79.05490	3.9
81.07051	7.3
83.04989	1.5
83.08615	2.5
85.02898	4.7
85.06555	0.5
85.07659	1.0
87.04509	0.5
91.03952	4.1
91.05487	4.0
93.07034	3.0
95.04980	1.6
95.08615	2.0
97.02888	4.8
97.06533	0.9
97.10207	0.4
99.04470	1.0
101.02383	1.9
105.07027	3.3
106.01943	0.4
107.04932	0.7
107.08578	3.0
109.02863	0.9
109.06493	0.7
109.10181	1.7
111.04467	0.9
111.08076	0.5
117.07016	0.5
119.08573	2.4
121.06509	0.6
121.10108	3.0
123.11732	1.8
127.03928	1.7
129.05482	0.5
129.07039	0.8
131.08588	1.8
133.10146	1.0
145.10156	0.5
147.11707	5.1
149.09581	2.0
154.03214	0.6
157.10191	1.2
163.11073	0.5
165.12735	2.0
166.17029	0.4
173.11707	0.5
175.11247	0.6
193.12321	1.4
200.34944	0.4
203.05327	0.9
211.13464	0.8
225.14951	0.6
243.08485	1.8
251.12492	1.8
252.55330	0.5
253.14494	0.4
267.16003	1.4
269.12411	1.9
283.15167	2.4
285.10150	0.7
285.16928	1.0
339.17853	0.9
407.20432	0.4
425.21588	1.2
448.27802	0.8
449.27756	0.7
450.28058	0.4
451.19620	1.2
453.21231	0.8
469.20309	12.8
485.20792	0.5
501.23074	7.3
567.31659	1.1
625.31897	0.8
669.33185	0.6
679.32794	6.7
687.44067	0.5
697.33337	1.4
711.35327	2.0
729.36646	100.0
730.37207	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	729.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01877	0.6
55.05506	1.2
57.03432	2.4
59.04995	0.9
61.02919	3.9
63.21370	0.4
65.03945	0.4
67.05495	3.0
69.03419	3.2
69.07057	0.4
70.26342	0.7
70.26753	1.4
71.01353	0.8
71.04990	1.8
73.02901	2.5
79.05489	2.4
83.04989	1.6
83.08608	1.6
83.48331	0.4
85.02908	6.0
87.04480	0.8
91.03943	2.4
91.05466	3.9
93.07021	2.8
95.04949	2.4
95.08608	1.7
97.02893	4.2
97.06547	0.7
99.04467	0.9
101.02374	1.5
103.03947	0.5
105.07015	2.7
107.04940	0.9
107.08559	0.9
109.02825	0.5
109.10088	0.4
110.35299	0.4
111.04442	0.4
111.08080	1.3
119.08575	2.2
120.29144	0.4
121.10164	1.6
123.08006	0.4
124.38395	0.4
127.03891	1.1
129.07022	1.4
131.08562	1.6
132.21793	0.4
133.10146	1.6
139.03970	0.4
142.07796	0.4
147.11655	2.0
149.09634	1.7
157.10143	1.1
175.11206	1.1
184.07382	1.0
185.04315	0.4
193.12210	2.5
211.13365	0.7
225.14825	0.5
243.08408	2.2
251.12587	0.5
267.15912	0.8
283.06424	0.7
283.15155	4.1
339.17999	0.9
451.19705	0.4
469.20422	10.2
501.23151	10.3
729.36603	100.0
730.37134	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	728.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.2
56.05024	0.7
58.06594	0.3
59.07398	0.2
60.08160	5.4
63.94600	0.2
64.13208	0.2
64.76686	0.2
67.05494	0.7
69.07063	0.2
70.06571	0.2
71.07362	3.5
79.05490	0.6
81.03403	0.4
81.07039	0.7
86.09696	30.3
91.05466	0.5
93.07030	0.4
95.08574	0.4
98.98453	3.1
104.10732	2.5
105.07016	0.5
107.08586	0.5
117.07036	0.2
119.08581	0.4
121.10119	0.2
124.99991	19.4
131.08624	0.2
132.20979	0.2
133.10072	0.2
142.28799	0.2
143.01036	0.3
151.51666	0.2
166.02638	0.3
171.11728	0.2
182.07791	0.2
184.07323	100.0
185.07640	0.9
213.27261	0.2
219.17374	0.6
221.15695	0.2
390.50317	0.2
531.35651	0.4
610.54736	0.2
728.44763	3.8
729.45172	0.4
741.23151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.01863	1.0
55.05489	0.9
55.37221	0.6
65.03909	1.3
66.05972	0.6
67.95757	0.6
71.04970	2.5
71.37445	1.4
77.03905	0.7
79.05471	1.8
81.03402	5.8
82.95480	0.6
85.02873	1.1
85.06526	1.4
86.99171	0.6
90.54902	0.6
91.05477	3.0
93.07044	1.1
94.04163	2.1
95.04935	1.9
97.02886	0.7
97.10123	0.6
100.98796	0.7
103.05460	47.5
105.07021	1.5
107.04940	2.8
107.05619	0.6
109.02921	0.7
109.06479	1.5
111.04441	1.0
113.05988	5.0
115.05463	1.4
117.07017	1.4
118.04159	0.6
119.04926	1.5
121.06502	1.2
122.03651	5.0
122.41506	0.6
125.05942	1.0
129.06966	1.6
131.04912	82.0
132.05249	0.7
133.06497	1.1
133.10037	0.6
135.04420	1.2
135.08028	1.4
137.05965	78.2
139.03902	0.9
145.06458	2.0
147.04416	3.2
148.05135	1.9
149.05975	1.9
151.03906	16.3
151.05069	1.6
151.07541	8.4
153.01811	1.2
153.05464	1.5
157.06561	0.9
160.05260	1.0
161.05969	1.5
163.07526	100.0
167.07030	5.5
172.05176	0.7
173.05949	1.9
175.07610	3.6
177.05394	1.2
177.09062	1.6
179.07040	1.4
181.04965	4.9
181.06374	0.8
181.08597	2.0
187.07565	2.7
189.05560	0.7
189.09088	1.9
191.07016	16.0
193.08568	0.7
203.06973	1.4
205.08572	5.3
207.10030	0.7
209.08086	1.6
217.08493	2.7
219.10048	0.7
223.09784	0.7
233.07954	0.9
235.07487	1.1
235.09625	1.8
247.09608	0.8
263.06723	0.8
263.09195	2.4
263.54837	0.6
265.10657	3.0
287.05521	0.7
295.09695	1.1
299.12695	1.4
307.09274	0.7
309.11053	1.1
321.11252	1.2
324.30063	0.8
329.13763	1.0
353.13882	0.7
355.11707	1.6
387.14307	4.6
460.27277	1.0
470.50732	0.7
478.28830	0.9
509.08679	0.8
519.20276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59713	0.2
55.05513	1.4
57.07073	3.1
65.03928	1.0
67.05154	0.4
67.05501	4.7
69.07048	1.0
71.08632	2.2
78.21454	0.2
79.05489	1.6
81.07050	4.2
83.08630	1.2
85.10175	0.7
85.31569	0.2
91.05475	7.7
93.07021	1.1
95.08599	3.6
97.06550	0.3
97.10147	0.4
104.30283	0.2
105.07013	0.7
107.08591	0.5
109.10162	1.8
119.04932	16.6
121.10152	0.8
123.11688	0.3
123.84629	0.2
131.08534	0.3
133.10071	0.4
135.11652	0.5
147.04395	100.0
148.04735	0.7
152.52495	0.2
165.05428	1.3
168.65768	0.2
191.22321	0.2
192.10062	0.3
193.21246	0.2
229.38612	0.3
243.66615	0.2
251.19847	0.3
288.95288	0.3
397.20807	0.2
459.31094	1.9
471.27310	1.1
563.46710	3.9
564.46100	0.3
606.17218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
55.05513	6.6
57.03420	2.5
61.02928	1.1
65.03902	1.0
67.05502	7.4
68.05856	0.8
68.99786	0.9
69.03419	2.4
69.07045	1.4
71.04982	2.7
71.46500	1.5
74.98080	0.7
79.05473	3.9
81.03414	4.3
81.07048	8.4
83.04975	46.5
83.08601	2.0
85.02899	100.0
85.06537	0.8
86.03234	1.4
87.04479	0.8
91.05469	9.2
92.05778	1.0
93.07037	4.0
94.04198	1.4
95.04950	1.9
95.08605	2.0
101.06007	0.9
105.07024	2.0
107.04948	3.7
107.08585	2.7
108.08963	0.8
109.06544	0.9
109.10165	0.9
111.04437	31.2
119.04933	16.9
119.08540	1.7
120.05806	0.8
121.02840	1.6
121.06434	0.8
121.10133	0.8
124.12148	0.8
127.03908	7.8
129.05461	12.6
131.08559	2.0
133.10072	1.0
137.05966	62.4
138.06195	1.4
139.03963	0.8
147.04417	13.3
151.07541	1.7
152.19829	0.7
153.01811	9.2
153.05437	1.1
157.10034	1.0
171.06516	64.3
172.06885	0.9
179.03271	1.0
179.07024	11.2
191.03462	1.3
193.12221	1.4
203.03412	2.0
217.04823	0.9
219.02835	2.9
229.01366	1.3
229.04962	1.2
231.02797	1.1
231.08682	4.8
241.04881	1.2
243.03291	1.1
245.04446	1.4
255.02902	1.1
267.15915	3.5
269.17413	1.8
270.17688	1.2
283.06039	1.0
285.03903	2.5
297.03922	1.9
299.01993	6.0
299.05164	1.7
300.02570	2.5
301.03427	2.5
302.04071	1.2
303.04965	1.0
311.05402	2.6
313.03317	1.2
318.03760	2.1
319.04333	0.9
325.03162	1.8
326.04123	1.4
327.01263	2.7
327.04861	1.0
329.02899	31.0
330.03665	7.8
331.04407	5.2
339.04935	1.5
341.03250	1.1
342.03537	1.6
343.04453	3.2
353.02911	1.4
355.04391	2.9
357.05911	1.6
366.03659	1.0
367.04541	1.8
371.03989	1.4
384.04568	2.0
385.05438	3.7
410.06387	1.8
411.06924	5.2
429.08023	1.0
433.32141	0.9
447.07339	1.8
453.28467	1.1
456.17059	0.9
461.28903	4.3
462.29282	3.5
475.06561	1.3
479.09586	2.2
479.29865	1.2
497.10669	4.1
507.09158	14.8
508.09824	1.3
509.10751	5.6
511.32843	1.1
514.84497	0.9
521.10687	2.2
533.10620	1.0
547.12360	1.4
563.11835	7.5
589.13440	7.3
607.13904	2.6
625.14764	1.0
667.16351	2.3
681.87067	1.2
727.36731	3.2
740.66278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01878	1.4
55.05508	21.0
57.03434	13.9
57.07058	1.5
61.02921	5.5
63.78201	0.8
65.03925	3.3
67.05498	70.9
69.03396	2.0
69.06698	1.4
69.07061	21.5
71.04982	4.5
71.07861	0.8
71.08652	1.0
71.46767	0.8
71.63560	1.1
73.02901	1.6
77.03880	1.0
79.05486	47.7
81.03396	3.0
81.07047	81.7
83.04977	4.8
83.08621	13.0
85.02898	4.5
85.06532	3.5
91.03938	2.6
91.05472	25.2
93.07035	58.5
95.04955	6.4
95.08596	40.1
95.62138	0.8
97.02876	1.4
97.06515	8.3
97.10143	1.8
99.08094	1.3
105.04535	1.3
105.07012	13.0
107.08582	31.6
109.06518	2.4
109.10146	13.4
111.08055	2.9
117.06996	8.8
119.08566	8.4
121.06497	1.2
121.10135	19.3
121.57530	0.8
123.08076	1.4
123.11678	7.3
127.03931	1.4
129.06960	0.9
131.08556	10.8
133.10107	17.4
135.08008	1.3
135.11678	16.0
143.08612	1.3
145.10107	4.9
147.11667	4.2
149.13245	14.1
151.11168	1.0
159.11688	10.0
161.13274	2.4
163.14821	1.6
173.13240	3.6
177.12752	4.4
177.16341	1.1
187.14781	2.2
195.13791	11.3
213.14845	2.2
243.21095	3.2
261.22156	9.9
263.30249	1.0
267.15796	1.8
269.17450	67.7
296.90527	0.9
317.24744	3.2
335.25763	100.0
336.26151	3.0
368.94739	1.1
437.33823	2.4
529.38837	91.2
530.38983	3.8
547.39624	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	726.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67321	1.0
53.03928	3.7
55.01855	1.8
55.05510	19.2
57.03162	1.6
57.03429	18.8
57.07057	3.4
61.02911	5.3
65.03927	4.4
67.05499	87.4
69.03394	2.3
69.07065	31.1
70.85505	2.1
70.85876	1.9
71.04998	5.7
71.08620	1.7
73.02879	1.4
79.05487	54.1
81.03399	2.5
81.07051	100.0
83.04976	8.0
83.08617	17.6
85.02877	3.2
85.06520	4.2
91.03962	1.5
91.05469	27.5
93.07039	78.6
95.04945	7.5
95.08598	48.5
97.02891	2.2
97.06516	13.3
97.10159	2.5
99.08101	2.8
99.32722	1.1
105.04514	1.2
105.07023	16.8
107.08586	45.5
109.06506	3.3
109.10151	13.8
111.08061	6.4
113.06007	1.4
117.07008	10.0
119.08569	10.6
121.10140	29.4
123.11695	5.5
127.07595	1.3
130.67743	1.1
131.08560	14.0
133.10104	11.8
135.11690	14.4
137.09740	1.2
139.11066	1.5
145.10107	4.6
147.11674	4.8
149.09613	1.4
149.13243	26.4
150.13466	1.2
151.11191	1.3
157.10138	1.2
159.11702	12.0
161.13174	2.4
163.14812	2.8
173.13231	3.8
175.14799	2.0
177.12746	6.3
187.14789	2.5
195.13763	7.3
213.14819	1.5
243.21127	2.5
245.91696	1.0
261.22092	9.7
267.15884	1.7
269.17462	75.1
270.17715	1.3
317.24759	3.3
334.38770	1.0
335.25778	62.8
336.26004	2.9
368.18677	1.1
374.96188	1.1
432.97073	1.1
437.33685	1.7
474.61139	1.1
529.38849	99.9
530.39148	6.4
726.44952	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	726.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01859	2.1
55.05505	7.3
57.03212	0.5
57.03434	6.7
59.04984	1.7
59.58042	0.4
61.02906	1.0
64.98783	0.5
65.03916	1.2
67.05499	33.3
68.05826	1.1
69.03416	2.5
69.07064	5.6
71.04989	11.1
79.05037	0.7
79.05486	13.2
81.03410	23.7
81.07051	19.2
82.03735	0.7
82.07381	0.9
83.04976	4.9
83.08617	8.2
85.02904	2.1
85.06528	1.8
91.05470	17.0
93.07037	11.9
95.04964	13.9
95.08602	9.2
97.02876	1.7
97.06509	3.1
97.10174	4.2
99.08107	0.8
105.07023	7.7
106.07359	0.8
107.04948	7.3
107.08585	9.0
109.05857	0.6
109.06520	6.9
109.10146	19.9
109.86736	0.4
111.04433	1.4
111.08063	2.7
112.26276	0.4
115.05444	0.8
117.07001	4.1
119.04865	0.7
119.08569	11.2
120.08962	0.6
121.06502	6.5
121.10132	6.8
122.10401	0.8
123.04394	1.2
123.08056	2.6
123.11678	1.9
124.12014	0.8
125.09602	2.8
129.05447	0.8
129.07011	3.8
131.04962	0.5
131.08554	6.8
133.06482	2.3
133.10123	4.8
135.08031	4.1
135.11687	5.0
136.41394	0.5
137.09602	5.0
139.11180	1.3
141.06978	1.0
142.07784	1.0
143.08534	1.5
145.06482	2.5
145.10101	4.6
147.04382	1.0
147.08051	3.0
147.11684	6.6
148.12022	1.3
149.09618	2.7
149.13263	1.0
151.11188	0.7
155.08542	1.0
155.10692	1.0
157.10121	4.4
159.08049	1.2
159.11684	1.4
161.09607	1.7
163.11159	4.1
165.12741	2.1
167.08569	0.6
167.10629	1.1
167.13077	0.5
169.10170	0.7
169.12195	0.7
171.11711	1.4
173.09656	0.9
173.11731	4.2
173.13237	1.4
175.11217	3.1
177.12759	1.2
181.12325	0.6
183.11691	0.7
184.07289	1.2
185.09489	0.6
185.13260	1.3
185.46344	0.5
187.11131	0.9
189.09172	0.8
189.11256	1.3
191.10663	0.6
191.14273	2.1
193.12231	6.2
197.13310	0.7
199.11276	1.1
201.12749	0.7
203.10684	0.9
203.14308	1.7
205.12178	1.1
211.11299	0.6
211.13255	1.5
213.12706	0.7
219.13802	4.3
221.15355	0.7
223.13232	1.0
225.14890	0.7
227.12695	1.0
229.14331	1.4
231.13812	0.9
237.14815	1.0
239.14445	0.6
241.03282	0.5
243.15903	1.4
249.14867	2.1
255.15887	1.4
257.15308	0.6
259.16983	0.6
267.15881	16.3
268.16223	3.8
269.17279	3.2
275.16348	0.9
285.16977	3.7
286.17401	2.8
287.18387	3.9
293.17621	0.5
301.14154	0.8
301.21298	0.7
311.20010	1.1
329.21121	4.6
337.21594	0.8
355.22473	2.8
357.24216	0.8
373.23587	0.6
385.23660	0.5
403.24786	3.7
411.25333	0.7
421.25845	14.3
422.25854	0.7
429.26297	10.1
435.27490	1.3
438.29074	0.6
447.27393	100.0
448.27759	3.0
453.28653	0.7
461.28958	6.6
477.28412	2.2
478.28696	2.3
479.29709	9.7
542.96112	0.6
573.30402	0.8
605.33344	0.7
727.34979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
53.71930	0.7
55.01859	2.1
55.05513	10.0
57.03436	9.7
61.02909	0.9
63.61280	0.6
65.03938	0.8
67.05163	0.8
67.05503	14.7
69.03407	2.9
69.07072	4.0
69.63064	5.5
69.63401	0.8
71.04964	2.2
77.03916	0.8
77.86742	0.6
79.05487	13.5
81.03411	68.9
81.07050	15.6
82.03750	0.9
83.04974	6.9
83.08615	17.6
85.02901	9.5
85.06517	0.9
88.78004	0.6
91.05473	19.6
91.52985	0.6
93.07043	11.1
95.04960	22.5
95.08603	5.9
97.02860	2.7
97.06512	2.0
97.10159	5.3
99.08097	0.8
105.06344	1.1
105.07020	13.4
107.04964	5.9
107.08591	6.8
109.06505	3.7
109.10144	2.9
111.04439	1.6
111.08067	8.3
113.05988	1.1
115.05427	1.7
117.07014	2.8
119.04924	0.7
119.08577	13.5
121.06477	3.5
121.10110	5.8
123.08044	2.5
125.09621	2.7
128.06247	0.7
129.07005	9.6
131.04900	1.1
131.08563	10.0
133.06458	3.3
133.10120	7.3
135.08005	1.5
135.11696	0.8
137.09596	1.5
141.07077	0.8
142.07796	1.7
143.08591	1.2
145.06474	3.9
145.10147	1.8
147.08069	3.7
147.11681	9.4
149.09563	4.4
157.06541	1.4
157.10118	11.0
159.08051	1.0
161.05920	0.8
161.09685	1.0
163.11195	1.8
165.12724	2.2
171.11658	1.0
175.11182	11.8
177.12674	0.9
189.11223	1.4
189.12708	1.0
193.12230	29.4
195.11736	0.9
211.11299	1.4
211.13272	15.0
229.14343	1.1
231.13786	1.1
249.14861	2.2
255.13815	2.3
267.15903	100.0
268.16183	4.1
273.14825	4.3
281.97708	0.7
285.16953	15.4
334.33014	0.7
339.23071	1.2
341.21051	1.3
349.21631	2.4
357.24301	0.9
367.22696	10.3
385.23669	10.7
386.24191	1.0
403.24719	2.8
405.24121	1.6
415.24432	1.4
433.25897	14.1
434.26102	1.5
441.26242	5.3
459.27423	63.3
460.27802	3.7
477.28470	34.8
478.28726	2.5
519.29517	0.7
585.30762	0.9
599.44073	0.9
621.32672	1.0
653.21368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07994	0.6
53.03944	1.5
54.82257	0.7
55.01875	1.0
55.05510	5.7
57.03431	7.2
65.03906	0.7
67.05153	0.9
67.05493	13.6
67.82868	0.7
69.03431	1.3
69.07064	6.0
69.54594	5.6
71.04976	2.6
79.05478	8.7
81.03409	34.6
81.07047	30.8
82.07393	0.8
83.04976	5.2
83.08609	9.7
85.02911	1.0
85.06519	1.9
91.05475	12.7
91.66100	0.7
93.07033	7.7
95.04963	10.7
95.08600	8.0
97.02870	1.7
97.06510	2.5
97.10158	1.8
98.20561	0.6
99.08098	1.2
101.06031	0.9
105.07027	15.8
107.04922	2.0
107.08596	6.9
109.06513	3.1
109.10148	2.0
111.04464	1.1
111.08054	2.9
117.07006	1.3
119.08574	13.3
121.06506	1.0
121.10131	10.5
122.10317	0.6
123.08051	2.5
123.11694	11.5
127.07542	1.0
129.06960	3.3
131.08553	4.3
133.06427	1.3
133.10094	3.4
135.11679	1.0
137.06003	0.7
137.09709	0.8
137.13252	0.8
142.07758	0.8
145.10078	1.0
147.08055	1.9
147.11676	28.3
149.09612	2.8
149.13203	0.7
157.10098	6.2
163.11208	1.1
165.12752	9.9
175.11159	5.0
183.13803	1.2
193.12224	14.5
198.29672	0.7
209.11684	2.3
211.13289	3.2
229.14325	2.4
249.14789	0.9
267.15894	100.0
268.16254	3.7
269.17422	1.6
273.14740	0.6
283.15442	1.1
285.16931	42.4
286.17294	1.5
301.16650	0.8
385.23627	1.1
457.62552	0.8
459.27390	6.2
477.28455	51.1
478.28775	1.9
495.29477	1.8
519.29449	1.5
553.81696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01878	2.1
55.05507	21.5
57.03433	5.7
57.07071	3.2
65.03925	2.7
67.05499	76.3
69.03431	12.3
69.07066	16.9
69.35693	1.4
70.68062	4.8
71.04617	1.9
71.04993	25.8
79.05486	36.9
81.03413	19.1
81.07048	100.0
83.04973	20.0
83.08612	9.4
85.02903	3.3
85.06537	8.4
87.04460	2.0
91.05471	36.2
93.07029	41.0
94.02404	1.5
95.04970	7.0
95.08598	39.1
97.02877	5.5
97.06530	7.3
97.10180	4.5
99.04430	2.8
99.08100	2.0
105.07016	27.9
107.08575	21.3
109.02873	2.6
109.06494	2.3
109.10139	16.1
111.04451	5.4
111.08067	3.6
113.05951	2.6
113.09637	1.6
115.05483	2.2
117.07010	12.8
119.08589	15.3
121.06505	2.4
121.10130	16.6
123.08070	2.0
123.11690	11.5
127.03869	2.1
129.05519	8.0
129.07011	6.3
131.08540	18.5
133.06509	2.7
133.10109	22.4
135.08018	3.1
135.11688	10.1
143.08516	4.4
145.10129	6.4
147.11681	10.4
149.13243	7.6
151.11179	6.6
153.12689	3.0
155.08560	3.5
157.10104	4.5
159.11673	12.0
161.13261	3.6
163.14796	2.4
169.10143	3.6
169.12157	2.9
171.11693	3.9
172.78239	1.8
173.04417	3.2
173.13255	4.7
175.11240	4.3
177.12767	5.6
179.08524	2.2
183.11729	2.5
183.13692	3.7
184.07297	1.6
185.13211	2.5
187.11424	2.0
187.13307	9.8
195.13805	3.1
197.13351	1.8
201.14804	4.8
205.36983	1.6
213.12729	1.6
225.14888	4.4
227.16385	3.7
229.69951	1.7
243.15965	6.3
257.17447	3.2
261.22125	3.6
269.17401	14.3
335.25818	12.8
351.23065	2.6
369.24203	5.4
377.26855	2.2
387.25302	4.2
395.20700	2.4
425.26819	2.0
443.27924	2.7
461.28979	3.1
479.29810	3.2
503.37320	28.6
505.38901	27.3
517.38654	2.1
529.38751	7.3
561.41461	18.5
613.40906	1.9
637.40552	2.4
647.41449	3.2
655.42053	2.9
673.42957	8.2
705.45557	4.6
749.95715	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	723.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
53.39894	1.3
55.01857	3.8
55.05503	22.0
57.03429	6.6
57.07058	3.5
61.83097	1.3
65.03941	2.1
67.05498	72.0
69.03430	11.2
69.07056	16.1
70.39075	5.5
71.04986	26.0
73.02892	1.3
79.05489	38.3
81.03411	19.8
81.07053	100.0
83.04976	22.0
83.08591	8.6
85.02897	4.8
85.06508	7.8
87.04453	1.9
91.05477	32.0
93.07037	40.5
95.04962	8.7
95.08595	37.9
97.02867	5.8
97.06512	4.5
97.10130	3.8
99.04443	2.9
99.08082	1.8
103.26701	1.3
105.07023	24.7
107.04928	3.7
107.08584	22.6
108.26886	1.2
109.02849	2.9
109.06506	4.2
109.10147	19.8
111.04430	5.6
111.08083	3.5
113.05976	1.4
117.06998	10.6
117.86897	1.3
119.04929	1.3
119.08582	11.0
121.06506	2.6
121.10135	14.9
123.08067	3.0
123.11683	14.2
125.09587	2.3
127.03901	3.7
129.05476	10.2
129.06966	5.3
131.08551	15.5
133.06430	1.6
133.10121	21.6
135.08055	2.6
135.11690	10.6
137.13139	1.3
141.06992	1.6
141.52087	1.3
143.08524	4.5
145.06491	1.6
145.10109	7.2
147.04361	5.1
147.08072	1.8
147.11670	10.6
148.74435	1.4
149.09596	1.9
149.13260	11.0
151.11177	7.2
155.08559	2.9
157.06454	1.7
157.10129	6.1
159.11667	8.6
161.09576	1.4
161.13257	3.7
163.11154	2.2
163.14813	1.9
165.12755	1.8
169.10088	1.9
169.12224	1.4
171.08055	1.3
171.11656	2.8
173.04414	3.4
173.13232	4.0
175.11142	2.7
177.12732	4.1
181.09956	1.5
183.11652	1.7
183.13826	3.0
184.07286	3.1
185.13295	2.7
187.13281	7.5
187.14809	2.7
193.12279	2.9
195.11874	1.5
195.13805	3.9
197.15343	2.3
201.14793	2.0
201.16458	2.3
217.33229	1.6
225.12846	1.7
225.14865	4.5
227.16348	3.1
241.18022	1.5
243.15884	5.5
253.14243	2.1
257.17517	4.0
261.22137	5.0
267.15732	1.9
269.17523	11.3
291.19449	2.8
301.20114	2.5
304.82343	1.5
317.24783	2.1
335.25922	9.9
351.23035	3.0
369.24188	5.7
387.25232	2.2
409.22305	1.4
413.21588	2.6
443.27750	2.6
445.23904	2.7
461.28900	3.5
503.37396	22.8
505.38800	29.3
517.38977	3.0
529.38995	7.2
561.41418	13.2
627.42328	1.5
655.42297	1.9
673.43384	8.3
691.44958	1.7
705.45410	3.1
723.44342	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	723.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72257	1.3
53.03936	5.2
55.01859	3.8
55.05503	19.0
57.03434	8.0
57.07061	2.3
62.26191	1.6
65.03934	3.6
67.05499	78.7
69.03423	10.2
69.07068	14.6
69.50319	5.6
69.50740	10.2
71.00473	1.4
71.04987	21.1
74.37025	1.4
79.05488	43.2
81.03405	19.3
81.07052	100.0
83.04977	22.6
83.08640	9.0
85.02887	3.4
85.06532	8.7
86.09703	3.8
91.05474	37.5
91.06055	1.8
93.07039	37.5
95.04950	7.4
95.08598	33.0
97.02873	5.8
97.06508	4.6
97.10134	3.6
98.20744	2.6
99.04442	1.8
99.08082	1.7
102.08104	1.5
105.07009	20.5
107.04943	3.8
107.08582	25.2
109.02893	3.6
109.06519	3.2
109.10150	16.7
110.60653	1.7
111.04424	3.0
111.08064	2.8
115.05442	2.1
117.06985	7.3
119.04951	9.2
119.08588	14.7
121.06447	1.7
121.10114	16.5
123.08080	3.4
123.11694	11.3
125.00009	4.0
125.09641	2.4
127.03888	3.1
129.05475	8.3
129.06956	2.6
131.08577	12.3
133.10110	21.1
135.08020	2.7
135.11717	10.1
143.08545	3.8
145.10115	6.6
147.04391	41.0
147.08168	1.9
147.11748	8.1
149.09624	1.9
149.13297	9.0
151.11162	6.4
155.08490	1.8
157.10117	3.7
159.11636	10.3
161.13237	6.0
171.11710	2.2
173.04457	5.3
173.13269	2.2
177.12729	4.7
183.13783	4.2
184.07310	10.6
185.13246	1.9
187.13333	9.6
187.14806	2.6
195.13828	2.3
201.14850	2.8
219.60181	1.7
225.14787	2.0
227.16255	2.0
243.15961	6.7
261.22122	3.8
267.15891	1.9
269.17496	10.6
275.19803	2.3
285.16956	1.6
293.21155	2.4
301.20490	1.9
309.22186	2.0
317.24515	2.1
335.25784	23.9
369.24033	2.9
413.21857	2.3
417.47003	1.8
445.24527	3.1
457.42249	1.7
462.59320	2.0
503.37372	37.0
505.38849	19.1
517.38708	3.5
529.38824	9.2
561.41602	25.5
611.39844	1.9
655.41803	2.1
673.42877	7.1
705.45721	8.1
723.45825	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	723.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
55.01868	8.3
55.05508	24.2
57.03436	12.0
57.07069	3.1
57.73555	1.6
61.02908	4.6
65.03931	3.4
67.05500	71.3
69.03426	13.3
69.07055	20.2
69.66231	13.0
71.04976	9.5
71.08624	12.1
73.02901	2.1
77.03913	2.1
79.05487	59.8
81.03410	41.1
81.07048	100.0
83.04974	16.8
83.08264	1.5
83.08624	18.4
85.02907	11.1
85.06535	4.3
91.04936	3.2
91.05474	56.4
93.07037	58.4
95.04974	17.2
95.08598	39.5
97.02888	13.9
97.06526	12.9
97.10155	4.9
99.04408	2.8
99.08083	8.3
105.07018	60.1
105.07732	3.3
107.04967	8.9
107.08582	38.2
109.02869	6.1
109.06501	7.3
109.10139	19.4
111.04426	5.3
111.08060	5.5
113.06016	2.7
115.05476	2.8
117.07005	15.5
119.08573	48.2
120.08926	2.1
121.06489	2.3
121.10136	31.4
123.08074	3.7
123.11711	17.7
125.06040	1.7
125.09631	5.1
127.03914	6.9
129.05504	1.8
129.06979	14.2
131.04926	3.1
131.08553	16.9
133.10127	27.9
135.08006	4.1
135.11670	20.6
137.09598	2.9
141.06976	2.5
141.09111	2.1
142.07808	2.5
142.18587	1.7
143.08578	9.8
145.10089	14.8
146.82011	1.6
147.08049	4.1
147.11682	53.0
149.09602	6.0
149.13248	10.7
151.11145	7.5
153.12733	2.1
155.08516	4.1
157.10152	11.5
159.08032	1.9
159.11667	10.6
161.13268	13.9
163.11127	5.3
165.12752	15.9
169.10060	2.4
171.11685	8.1
173.04436	2.4
173.11789	3.6
173.13272	6.3
175.11159	5.8
175.14790	5.0
177.12680	2.9
179.14302	34.4
181.12207	2.2
183.11659	2.9
183.13777	2.3
185.13254	4.6
189.11160	2.1
191.10777	2.9
193.12206	11.3
195.13835	3.8
197.13243	2.2
199.11172	1.9
199.14845	3.8
209.11707	3.0
211.13168	11.8
229.14191	4.4
231.21062	3.7
241.19490	10.6
249.14729	2.0
257.18954	3.1
259.20529	32.8
267.15897	32.8
269.17557	5.1
275.20026	9.6
277.21588	29.9
278.21863	2.3
285.16974	36.5
315.22980	2.6
333.24316	17.1
335.25793	1.9
349.23993	2.5
351.25333	20.7
367.22763	1.9
410.51865	1.9
411.20074	2.6
429.21082	14.3
430.20773	1.9
469.32971	1.8
489.35748	7.1
511.64713	1.8
525.35938	2.1
543.36761	33.5
544.36853	2.9
561.37958	18.2
651.39569	1.9
705.32666	1.8
705.42090	19.3
706.41711	2.6
723.41162	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	723.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.0
53.03929	5.2
53.66605	1.7
55.01873	11.0
55.02084	2.0
55.05280	2.5
55.05504	25.3
57.03424	14.1
57.07049	3.1
58.00543	1.8
61.02916	8.0
61.46145	1.6
65.03923	4.2
67.05498	82.3
69.03428	14.0
69.07059	21.9
71.04975	8.2
71.08588	1.9
71.71505	2.7
73.02900	2.8
79.05038	2.8
79.05488	59.5
81.03407	26.4
81.07050	100.0
83.04989	12.7
83.08614	19.4
85.02892	15.3
85.06520	5.5
91.03941	3.1
91.04936	3.5
91.05473	52.2
93.07040	64.2
95.04956	13.8
95.08600	37.3
96.08881	2.1
97.02875	11.2
97.06518	17.7
97.10139	7.0
99.04435	3.3
99.08085	2.2
101.61548	2.0
105.06359	3.0
105.07024	43.9
107.04961	13.2
107.07855	2.2
107.08583	40.8
109.02870	5.4
109.06512	9.4
109.10143	27.0
111.04405	5.3
111.08082	5.9
113.77580	2.0
117.07027	15.0
119.08567	37.3
121.06489	4.4
121.10129	22.1
123.08035	5.9
123.11694	6.1
125.09617	5.4
127.03902	7.0
128.01649	7.2
129.05441	2.7
129.06967	8.0
131.08553	21.9
133.06432	2.5
133.10120	27.3
135.08038	5.2
135.11684	13.3
137.09567	4.2
142.24692	1.6
143.08554	5.8
145.10121	18.3
147.08012	3.8
147.11673	16.7
149.09596	10.3
149.13220	14.7
151.11166	6.3
155.08527	3.6
157.10120	6.8
159.11665	11.6
161.13239	6.3
163.11159	5.0
165.12733	5.6
169.10054	3.7
171.11595	5.3
173.04413	3.1
173.09653	2.4
173.11800	3.9
173.13300	8.0
175.14809	2.8
177.12735	3.6
179.10667	2.2
179.14297	6.4
187.37350	1.8
189.11154	4.3
191.10771	1.9
193.12215	3.3
195.06555	4.3
195.13779	10.9
197.13272	2.9
198.31226	2.2
209.11696	2.8
211.13322	3.8
227.12730	11.7
229.14331	2.1
229.19318	2.3
239.18059	2.2
253.14377	6.3
257.19135	4.0
257.77124	1.9
259.20514	5.2
267.15973	7.9
269.17441	43.6
275.20044	39.3
276.20477	2.4
277.21539	4.3
285.17142	5.1
293.21115	5.8
299.12796	2.7
349.23746	25.3
351.25085	4.1
378.51053	2.1
413.21478	2.0
439.26944	3.4
447.31116	3.5
463.30362	7.2
465.28900	2.0
479.29944	2.6
489.35712	15.0
524.42517	2.1
525.35834	3.2
543.36749	38.5
544.37152	2.7
561.37915	22.3
705.41791	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	723.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12148	2.1
53.00294	2.3
53.03941	5.9
55.01870	12.3
55.05508	28.0
57.03434	10.9
61.02912	9.8
65.03931	4.2
67.05503	81.7
69.03426	18.8
69.07066	26.1
71.04974	7.0
71.08623	9.3
71.72792	4.5
73.02899	5.5
79.05486	58.9
81.03413	38.5
81.07053	100.0
83.04977	17.6
83.08618	19.6
85.02905	13.2
85.06551	4.2
91.04928	4.3
91.05474	59.4
93.07042	76.7
95.04967	20.7
95.08598	42.5
96.05276	2.4
97.02871	15.4
97.06519	19.2
97.10151	8.9
98.93507	1.9
99.04459	6.0
99.08083	7.1
101.02333	1.9
105.07030	46.7
107.04954	11.5
107.08580	37.9
109.02872	7.4
109.06514	10.9
109.10146	32.0
109.61777	2.3
111.04406	4.2
111.08049	7.1
114.25262	2.6
117.06994	20.8
119.08572	33.3
121.06474	5.1
121.10126	28.5
123.04387	3.2
123.08048	6.7
123.11680	9.2
125.09637	6.2
127.03897	6.9
128.01666	7.1
128.06300	2.2
128.56705	2.4
129.06996	9.6
131.08572	25.0
133.06490	2.3
133.10129	36.2
135.08040	9.9
135.11699	17.6
137.09613	5.2
141.06853	2.0
143.08542	9.2
145.10133	17.5
147.08009	4.9
147.11681	21.3
149.09605	11.5
149.13252	13.4
151.11177	7.7
155.08487	3.1
157.10106	5.9
159.11696	13.9
161.09651	3.3
161.13229	7.1
163.11183	7.0
165.12755	4.4
168.03040	2.3
169.10100	4.6
171.11681	4.4
173.04433	3.8
173.11765	3.0
173.13263	5.5
175.11157	4.4
177.12779	5.5
179.14322	19.3
185.13234	2.4
187.14809	3.0
193.12260	3.6
193.81784	2.3
195.06520	3.1
195.12035	2.7
195.13820	9.6
209.11713	4.9
211.13240	4.0
213.14760	2.3
227.12773	7.5
247.20604	2.6
253.14331	4.7
257.18991	5.8
259.20508	3.8
267.15863	12.4
269.17450	35.4
275.20062	46.3
276.20218	3.3
277.21667	16.0
283.15402	2.6
285.17184	4.5
293.21115	4.1
333.24152	2.2
349.23727	23.5
351.25177	10.6
426.13763	2.9
429.21069	3.3
445.29105	2.6
447.30960	3.0
463.30444	7.5
469.33063	3.0
475.67932	2.6
489.35532	9.1
497.93008	2.6
517.35474	4.1
525.35699	4.9
543.36774	44.8
561.37738	24.2
562.37604	2.5
705.42041	13.8
723.38757	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	722.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.4
57.03424	0.3
57.07072	0.5
58.06615	0.4
60.08163	6.1
67.05502	0.8
69.07075	0.2
69.28671	0.2
69.55910	1.7
69.90266	0.2
71.04987	0.2
71.06993	0.3
71.07362	3.0
71.08630	0.6
79.05486	0.4
80.05193	0.2
81.07050	1.0
82.20544	0.2
84.82561	0.2
86.09698	28.0
88.46768	0.2
89.01186	0.2
91.05448	0.4
93.07054	0.3
95.08599	0.4
98.98460	3.3
104.10720	2.0
105.40526	0.2
109.10150	0.2
117.07108	0.2
124.99995	18.4
133.10107	0.2
141.63881	0.2
143.01030	0.5
166.02664	0.3
184.07330	100.0
185.07701	0.7
200.84210	0.2
240.16551	0.2
243.15848	0.3
287.18356	0.3
313.27261	0.7
481.39053	1.4
496.34091	0.3
497.30545	0.2
525.40936	0.4
690.46594	0.6
722.37891	0.3
722.49573	4.2
723.41467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
54.50417	1.1
55.01870	5.3
55.05508	11.4
57.03434	10.6
61.21457	0.9
65.03927	1.4
67.05499	24.9
68.05852	2.4
69.03428	6.0
69.07060	10.0
71.04988	3.2
71.71325	1.5
79.05484	28.6
79.64816	1.0
80.05796	2.0
81.03410	64.8
81.07050	31.1
81.07423	0.7
82.03722	3.3
82.07368	2.3
82.22646	1.1
83.04974	10.5
83.08611	20.8
84.08954	1.4
85.02891	5.5
91.05470	22.9
92.05819	2.7
93.07034	31.0
94.07381	2.0
95.04963	22.2
95.08599	28.1
96.05297	1.4
97.02874	8.1
97.06514	5.0
97.10177	2.3
98.07034	1.0
99.04434	3.0
99.08080	1.7
102.98915	1.3
105.03378	1.0
105.07018	20.3
106.07352	1.1
107.04939	11.6
107.08582	19.7
108.08949	1.1
109.02872	2.1
109.06517	5.5
109.10139	8.2
111.04431	4.8
111.08087	5.9
115.05466	1.9
117.07012	8.4
119.08564	15.7
120.08932	1.5
121.06467	7.5
121.10139	15.3
123.08057	2.1
123.11703	2.1
125.05996	2.8
125.09612	2.8
127.03922	3.2
128.06187	1.5
129.06998	7.9
131.04932	1.1
131.08575	11.5
132.08899	1.5
133.06499	2.3
133.10101	9.9
134.10464	1.6
135.08049	2.9
135.10646	1.7
135.11674	27.8
137.09608	3.1
142.07773	2.8
143.08601	1.5
145.06529	1.8
145.10110	24.2
145.11237	1.4
146.10455	1.4
147.08031	3.8
147.11664	9.3
148.12001	1.6
149.09618	4.4
151.11186	1.4
157.10121	5.6
159.11726	2.8
160.11938	1.1
163.11169	42.2
165.12718	2.5
169.10123	1.1
173.04515	1.0
173.09642	1.7
175.11180	6.5
181.12210	9.0
185.09549	1.1
187.11014	1.2
189.11349	1.2
191.10635	2.1
193.12236	20.2
194.12630	1.6
209.11737	2.3
211.11504	1.2
211.13235	6.2
212.13643	3.2
227.12764	43.7
229.14377	1.6
249.14960	2.8
267.15891	92.0
268.16162	2.1
269.17529	2.3
275.20062	6.7
276.20425	6.5
283.15363	50.6
285.17047	3.7
293.21240	1.4
348.21866	1.0
349.23776	2.6
350.23999	2.6
383.22253	1.7
385.23163	1.2
438.09021	1.2
453.09875	1.5
457.25760	3.5
461.28912	3.6
475.26892	100.0
476.27231	2.7
493.27951	3.3
517.28302	1.7
541.35315	1.5
542.35529	3.1
560.36456	6.0
578.37201	1.4
704.40625	4.0
722.41681	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	721.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.6
55.01858	5.4
55.05505	27.6
57.03191	1.4
57.03436	11.5
57.07066	2.7
59.04985	2.5
61.02907	5.3
65.03938	5.0
67.05499	78.7
68.05833	2.0
69.03422	16.7
69.07063	23.2
71.04986	25.4
71.32381	2.6
73.02907	3.1
79.05038	2.8
79.05484	52.6
81.03410	32.1
81.07049	100.0
82.07398	1.4
83.04968	13.2
83.08622	12.2
85.02904	12.3
85.06525	10.0
91.03965	2.9
91.05473	61.1
92.05817	1.8
93.07042	54.6
95.01305	1.8
95.04968	13.0
95.08019	2.8
95.08597	37.6
97.02878	11.3
97.06525	11.7
97.10143	5.7
98.58434	1.4
99.04439	6.8
99.08067	3.4
103.05456	3.1
105.07020	52.2
107.04944	6.5
107.08586	37.0
109.02862	6.1
109.06527	7.5
109.10136	20.6
111.04458	4.7
111.08042	5.5
111.11676	1.9
115.05437	3.7
117.07012	19.9
119.04933	1.8
119.07759	2.5
119.08567	35.1
121.06485	4.8
121.10138	28.4
123.04443	1.7
123.08060	5.0
123.11707	11.2
125.09630	3.5
127.03902	6.1
128.06238	2.6
129.05478	3.0
129.06987	15.1
130.07788	2.1
131.04845	1.7
131.08563	27.3
133.06485	4.8
133.10124	31.2
135.08051	3.0
135.11665	17.8
137.09622	2.5
141.06985	5.7
142.07751	2.1
143.08556	14.2
145.06520	3.0
145.10120	27.8
147.04395	1.8
147.08003	3.4
147.11664	27.1
149.09590	4.5
149.13272	10.6
151.11151	6.6
153.12714	4.5
155.08554	9.6
157.10118	16.4
159.08034	3.1
159.11676	23.8
161.09613	3.7
161.13240	10.6
163.07625	1.8
163.11188	3.6
165.12746	5.0
167.08551	3.4
169.10136	11.5
171.08060	1.8
171.11682	14.6
173.04456	12.5
173.09637	2.6
173.13226	15.1
175.11160	7.3
175.14731	3.5
177.09042	2.1
177.12723	4.1
179.14313	2.3
180.09351	1.9
181.10118	6.1
183.11713	8.9
183.13669	1.5
185.09662	2.4
185.13274	10.8
186.13962	1.8
187.11186	3.5
187.13266	5.6
187.14825	4.5
189.12741	2.3
193.10222	3.2
193.12231	4.0
194.10931	1.5
195.11688	6.1
195.13644	3.4
197.09579	1.9
197.13248	5.6
198.39926	1.6
199.11212	1.7
199.14854	4.4
201.12807	1.7
201.16367	2.4
203.14368	2.0
207.11635	2.3
209.13254	3.8
211.14937	3.3
213.16403	2.2
219.13811	1.6
221.13361	3.0
223.14973	1.9
225.12770	1.8
227.16284	2.9
229.19479	1.7
241.19586	7.8
243.15892	5.9
245.18948	2.6
257.17209	2.6
259.20822	11.5
261.22101	6.8
267.15787	4.2
269.17383	7.0
273.18448	5.2
275.20074	2.9
283.20526	1.8
285.22073	2.4
290.47586	1.9
291.19495	6.0
297.22256	2.0
299.18573	2.0
301.19824	1.8
309.21838	1.9
313.21545	2.6
315.23065	2.0
317.24762	1.9
325.21732	2.3
333.24396	8.7
335.25763	5.4
339.17746	1.7
339.23227	2.0
349.21375	2.0
351.22812	1.8
365.23141	5.0
367.22647	2.8
369.24069	2.9
391.29794	2.2
393.31570	2.0
409.31046	1.8
411.32516	3.2
413.21613	4.2
435.32568	4.3
441.26675	1.6
445.24173	3.2
453.33282	2.1
459.27133	2.4
484.14191	1.5
485.36288	2.2
501.35690	18.1
503.37323	55.9
504.37531	3.9
509.36151	2.2
517.39191	3.7
525.35248	2.3
527.37244	38.7
527.45203	2.0
528.37445	1.8
533.38068	2.4
541.35205	3.9
545.38104	3.3
559.37469	5.9
593.38422	1.8
625.40820	1.7
653.39636	4.0
667.41040	2.4
671.41174	3.7
685.41162	4.5
689.42926	8.7
689.54260	2.0
703.41461	8.2
707.79834	1.8
721.43915	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	721.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.0
53.03948	14.4
55.01868	15.3
55.05251	2.5
55.05507	39.8
55.10003	1.9
56.20793	1.7
57.03429	16.5
61.02912	4.1
62.97245	1.9
65.03931	7.0
67.05497	72.3
69.03423	21.9
69.07059	28.8
71.04985	13.0
73.02906	3.2
79.05125	1.9
79.05485	69.6
81.03411	100.0
81.07052	90.8
83.04979	22.8
83.08611	30.7
85.02906	21.2
85.06541	5.2
90.62072	1.7
91.05473	64.1
93.07039	57.1
95.01338	2.5
95.04961	35.2
95.08015	3.4
95.08599	42.4
97.02889	27.3
97.06527	17.3
97.10163	12.8
99.04453	5.4
99.08068	3.6
105.07021	54.8
107.04946	27.9
107.08584	38.6
109.02878	13.1
109.06508	16.0
109.10139	24.7
111.04428	13.4
111.08064	12.2
115.05460	3.6
117.06987	20.2
119.04939	3.0
119.08577	45.7
119.69074	1.8
121.06474	10.5
121.10136	30.8
123.04467	3.0
123.08072	6.4
123.11678	5.0
125.09603	11.6
127.03915	15.2
129.05461	3.0
129.06992	19.3
131.04987	2.7
131.08556	32.8
133.06479	7.2
133.10124	32.0
135.08084	10.6
135.11655	17.2
137.09608	7.8
139.03880	3.2
141.06911	4.6
142.07712	2.4
143.08514	9.4
145.06464	5.7
145.10112	24.0
147.08000	6.0
147.11687	30.6
149.09631	22.7
149.13251	4.1
151.11156	4.1
153.12668	2.2
155.08543	5.6
157.10132	16.3
159.08101	2.9
159.11691	16.7
161.09628	3.1
161.13200	4.2
163.11208	19.8
165.12756	5.8
169.10185	4.2
171.11661	8.4
173.04459	5.4
173.09604	4.9
173.11888	2.4
173.13277	8.4
175.07446	2.3
175.11171	15.4
175.14757	2.2
177.12772	4.8
181.12253	7.2
181.86694	1.8
183.11702	4.4
185.13258	3.0
189.11235	5.9
189.12735	2.1
191.10678	3.1
193.12218	36.1
197.09457	2.4
197.13263	3.7
199.11258	2.3
205.12218	3.7
211.11252	3.9
211.13272	47.9
215.14267	2.3
219.13792	2.5
227.12700	16.7
229.14288	5.7
229.19545	4.5
239.17958	5.4
247.20613	4.1
257.19064	13.8
267.15948	35.4
269.17450	2.7
275.20035	82.1
283.15378	10.0
285.16898	16.8
291.19519	2.6
293.21078	8.0
308.21143	1.9
313.21545	3.4
331.22583	5.2
349.23737	35.3
355.17542	5.2
359.22662	2.1
367.24738	3.7
373.23495	2.1
383.22345	2.9
400.59985	2.0
401.23120	3.1
411.20108	4.7
429.21198	9.9
449.30225	3.4
457.25864	2.7
467.31448	3.4
475.26889	19.1
485.32990	2.1
523.33887	5.6
541.35236	32.6
559.36383	23.7
577.37244	3.8
667.37543	2.7
703.40814	17.9
721.41394	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	721.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.1
55.01623	1.6
55.01870	32.5
55.05512	27.4
57.03436	17.0
57.07072	2.3
61.02919	3.4
65.03937	3.1
67.05503	63.2
68.05799	2.0
69.03429	22.0
69.07067	33.4
71.04983	7.1
71.94414	2.0
73.02905	4.6
78.29974	2.1
79.05492	56.0
81.03416	71.6
81.07052	75.2
82.07372	2.5
83.04981	25.5
83.08618	24.2
85.02889	15.1
85.06529	3.0
91.05477	76.9
93.07043	52.5
95.01337	5.5
95.04956	26.5
95.08601	40.5
97.02895	20.0
97.06527	54.4
97.10182	9.6
98.21452	5.9
99.04440	5.4
99.08076	4.1
105.07026	81.9
107.04941	21.6
107.08590	25.2
109.02872	10.8
109.06520	9.0
109.10157	17.1
111.04448	11.0
111.08103	9.4
113.06036	2.7
117.06999	21.4
119.08572	42.4
121.06508	6.5
121.10165	17.9
123.04394	2.3
123.08060	6.6
123.11700	4.3
125.09645	5.4
127.03918	6.6
127.07462	2.2
127.22340	2.3
128.06151	2.4
129.05531	2.9
129.06992	15.3
131.08563	35.1
133.06462	4.1
133.10129	48.3
135.08037	10.0
135.11681	10.5
137.09605	4.6
139.07498	3.9
141.07018	2.0
142.07794	3.3
143.08565	7.3
145.10129	20.9
147.08020	6.1
147.11682	25.7
149.09601	15.6
149.13254	3.5
151.11195	4.1
155.08531	4.7
157.10146	11.1
159.11690	16.3
161.09601	4.1
161.13248	5.3
163.11179	10.0
165.09102	3.1
165.12746	4.8
169.10178	4.6
171.11726	3.6
173.04413	2.2
173.13266	6.2
175.11150	10.8
175.14722	2.6
177.12785	3.4
179.14326	13.6
181.12335	3.3
187.11183	3.7
189.12738	2.3
191.10745	3.4
193.12238	23.5
209.11801	2.5
211.13251	29.0
212.13686	2.4
219.17429	38.5
227.12790	3.8
229.14334	2.7
239.18153	2.5
247.20549	3.2
257.19046	8.2
267.15955	21.0
269.17477	4.6
273.18497	3.8
275.20044	100.0
276.20490	2.2
279.15988	2.5
285.17026	5.5
291.19473	7.6
293.21042	10.0
315.12195	2.0
331.34442	2.1
349.23669	44.8
355.17578	5.8
365.23203	2.2
411.20123	4.8
429.21265	25.2
503.37018	2.5
529.53973	2.1
541.35217	41.7
542.35388	2.0
559.36243	23.5
560.36304	2.1
618.83649	2.2
703.40515	43.0
721.40332	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	721.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.7
55.01870	34.1
55.05502	27.5
57.03436	10.0
65.03937	3.6
67.05497	50.5
69.03425	17.3
69.07062	27.1
69.55877	1.5
71.01353	2.6
71.04984	6.8
79.05488	43.4
81.03410	71.7
81.07052	65.9
81.07546	2.4
83.04972	24.1
83.08608	18.6
85.02896	10.0
85.06549	3.1
91.05476	60.5
93.07038	39.9
95.01324	8.7
95.04964	27.3
95.08601	33.9
97.02887	18.4
97.06522	52.1
97.10171	6.4
97.71308	1.5
99.04419	3.1
99.08083	2.9
103.05461	2.8
105.07024	73.4
107.04939	22.8
107.08592	19.3
109.02879	7.6
109.06528	8.1
109.10136	9.1
111.04453	8.3
111.08049	7.8
115.05471	3.3
117.06992	16.0
119.05019	2.1
119.08562	45.5
121.06476	4.9
121.10140	15.5
123.04408	3.2
123.08057	6.0
123.11720	4.4
125.09595	4.4
127.03931	5.4
129.05505	3.3
129.07002	12.1
131.08559	27.5
133.06494	3.8
133.10115	38.7
135.08066	5.7
135.11679	8.9
137.09624	5.1
139.07503	3.1
141.06993	1.9
142.07735	2.2
143.08533	5.2
145.06447	3.7
145.10092	15.7
147.08073	4.0
147.11671	26.0
149.09637	10.3
149.13251	5.7
151.11131	3.1
153.12750	3.0
155.08548	3.5
157.10132	10.0
159.11702	11.9
159.68465	1.7
161.05998	2.4
161.09605	2.9
161.13268	5.4
163.11179	6.3
165.09128	1.9
165.12737	2.9
169.10115	3.3
171.11674	5.0
173.04535	1.8
173.09587	2.0
173.11790	2.4
173.13287	4.3
175.11201	8.2
177.12704	2.8
179.14313	15.6
181.12244	1.8
183.11693	2.7
187.11169	2.7
191.10623	2.7
193.12242	26.2
195.13820	3.3
205.12257	2.6
211.13254	33.2
211.15152	2.6
219.17438	2.9
227.12689	3.1
229.19554	3.5
247.20573	4.0
249.14946	3.1
257.19022	6.6
267.15863	30.1
273.18558	2.1
275.20035	100.0
279.15979	2.2
285.16931	8.9
289.06277	1.8
293.21124	9.1
344.81943	1.7
349.23697	42.1
355.17502	5.3
411.20132	5.0
429.21127	36.0
500.93057	1.9
503.37180	3.5
541.35236	52.1
542.36292	2.8
543.81641	1.7
559.36383	15.7
563.01105	1.6
703.40430	42.3
721.39563	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	721.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11798	1.7
53.03949	14.0
55.01864	9.2
55.05252	1.9
55.05510	31.1
57.03224	1.4
57.03439	17.0
61.02905	3.9
65.03930	4.3
65.89462	1.7
67.05500	57.4
69.03423	26.8
69.07063	21.4
70.05057	3.6
70.05469	5.9
71.04989	13.4
73.02908	2.1
77.03915	2.1
79.05042	2.9
79.05491	51.2
81.03415	100.0
81.07053	74.9
83.04978	22.6
83.08626	22.2
85.02899	18.1
85.06528	4.0
88.89539	1.7
88.94214	1.5
91.05473	52.1
93.06448	2.7
93.07039	48.7
95.04963	29.3
95.08023	2.8
95.08598	37.2
97.02889	20.7
97.06527	19.0
97.10153	10.0
98.21484	2.2
99.04447	8.7
99.08071	2.9
105.06355	3.1
105.07027	44.3
107.04952	14.7
107.08591	26.5
109.02885	15.5
109.06519	13.0
109.10157	17.8
111.04446	7.1
111.08066	10.4
113.06070	1.8
115.05410	3.3
117.07012	22.2
119.04941	1.9
119.08575	40.4
121.06479	9.4
121.10138	18.4
123.04425	2.4
123.08045	7.0
123.11698	6.7
125.06067	1.8
125.09629	8.4
127.03895	12.8
128.06224	3.7
129.05489	6.2
129.06975	16.9
131.08566	31.2
133.06476	5.8
133.09209	2.3
133.10132	27.5
135.08044	6.0
135.11691	11.2
137.09607	5.0
141.07008	3.8
142.07776	3.6
143.08568	9.0
145.06474	4.8
145.10123	19.0
147.08032	7.9
147.11661	20.6
149.09599	12.3
149.13225	7.1
153.09064	1.7
155.08530	6.0
157.06450	2.4
157.10095	16.4
159.08069	3.3
159.11697	14.7
161.09636	3.7
161.13261	4.9
163.11206	8.3
165.12730	5.1
169.10114	4.1
171.08118	2.1
171.11682	6.7
173.04465	28.7
173.09642	5.4
173.11880	1.9
173.13254	5.7
175.11183	12.3
177.12744	4.6
181.10097	3.1
181.12268	2.4
183.11646	6.4
185.09613	2.2
185.13280	5.2
187.11209	3.2
189.11201	4.3
189.12753	3.1
191.10704	2.3
193.12250	20.2
195.11771	2.1
195.13799	3.3
197.13231	3.8
199.05981	2.1
199.14740	2.8
211.13251	29.7
219.17377	2.7
223.11133	2.3
227.12746	9.1
229.14362	3.5
255.14063	2.1
257.19019	5.9
267.15860	12.7
269.17493	5.0
273.15030	2.8
273.18542	6.3
275.20084	37.9
285.16959	13.0
285.79715	1.7
291.19424	5.0
293.21176	3.1
315.23193	3.2
331.22702	3.3
339.17880	2.3
349.23895	13.7
367.24738	2.1
429.21313	3.1
431.29053	3.0
435.27414	3.0
449.30527	3.6
461.28979	5.0
467.31592	4.7
475.26468	2.5
479.30008	4.0
523.34113	2.2
531.36615	2.4
541.35370	24.0
557.34460	1.9
559.36383	31.9
577.36957	2.7
605.33484	3.2
623.33636	8.6
667.36646	1.9
703.40613	11.4
721.41699	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	721.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	2.8
53.03936	12.1
55.01871	15.1
55.05512	35.0
57.03434	16.1
57.07066	3.3
57.48366	1.8
59.04985	2.2
61.02926	2.8
65.03926	5.4
67.05156	3.3
67.05500	66.2
69.03429	27.5
69.07062	23.8
71.01319	1.8
71.04996	13.5
71.69927	2.1
73.02932	3.8
79.05035	3.5
79.05489	64.5
79.88783	1.6
81.03413	100.0
81.07051	89.7
83.04974	24.8
83.08608	22.4
85.02901	21.2
85.06541	7.5
91.03932	1.7
91.05472	66.0
93.07043	54.4
95.04956	29.8
95.08597	38.5
97.02881	21.9
97.06511	14.1
97.10166	11.9
99.04449	8.9
99.08075	3.0
103.03991	2.6
103.05470	3.1
105.07022	56.0
107.04948	18.5
107.08590	36.4
109.02868	18.4
109.06519	13.8
109.10152	22.6
111.04442	16.2
111.08089	11.3
113.05993	2.9
115.05459	2.9
117.07015	22.5
119.08577	45.6
121.06504	6.8
121.10129	23.3
123.04404	4.0
123.08048	10.4
123.11713	8.1
125.09627	7.1
127.03900	15.5
127.07578	2.0
128.06248	4.4
129.05453	4.4
129.07011	19.8
130.07835	2.2
131.04907	1.9
131.08559	29.3
133.06439	5.5
133.10112	34.9
135.04410	1.8
135.08055	8.6
135.11710	13.7
137.05995	2.9
137.09644	6.0
141.06960	3.9
142.07777	3.3
143.08592	10.8
145.04942	1.6
145.06447	4.3
145.10135	23.7
147.04390	9.4
147.08018	6.6
147.11682	31.1
149.06015	2.2
149.09607	18.4
149.13225	9.4
151.11122	2.8
153.12779	2.3
155.08548	6.4
157.10123	16.7
159.08087	3.6
159.11673	16.6
161.09608	6.6
161.13283	4.1
163.11205	9.9
165.12752	6.6
166.07510	1.9
167.08522	3.1
169.10146	7.5
171.11688	9.4
173.04445	21.7
173.09590	5.1
173.11887	2.0
173.13164	8.0
175.11140	14.7
175.14751	1.7
177.12749	4.0
179.08418	1.8
179.10623	1.9
181.10129	2.8
181.12273	2.5
183.11670	5.3
185.09630	3.5
185.13251	3.9
187.11121	2.9
187.14824	2.6
189.11249	4.1
189.12770	2.0
191.10600	3.6
193.12224	26.7
195.11882	1.9
195.13806	4.6
197.13162	4.4
199.11089	2.4
201.12691	2.3
202.13403	1.9
211.13260	39.0
211.15215	2.6
213.14772	2.7
221.13264	1.6
227.12729	5.8
229.14250	4.5
229.19508	3.5
239.17909	3.4
247.20508	5.8
257.19025	12.3
267.15881	21.9
269.12384	2.1
269.17499	5.6
273.18427	4.7
275.20047	58.0
276.20218	2.1
285.16959	16.6
291.16006	1.8
291.19559	5.1
293.21072	6.9
299.20215	1.9
313.21686	3.9
331.22693	1.9
349.23663	24.5
355.17587	2.9
355.22488	2.5
373.23599	2.0
383.21991	3.2
401.23361	2.3
411.19885	2.6
419.24304	2.5
424.27701	2.3
429.20990	3.1
449.30600	2.9
461.29144	3.1
467.31616	2.8
479.29596	4.7
485.32425	2.8
491.01065	2.0
492.30276	3.2
493.27792	3.2
523.34131	2.4
531.36780	3.8
541.35254	24.3
559.28479	1.1
559.36224	30.8
577.37231	3.5
623.33936	4.7
685.39465	2.3
703.40356	13.7
721.42334	13.1
721.53705	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	720.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
54.03661	0.7
55.01860	1.7
55.05507	14.5
57.03171	1.3
57.03431	14.8
57.07070	32.0
61.02922	5.0
65.03912	1.1
67.05499	25.5
69.03424	5.1
69.07059	12.6
69.45789	1.5
69.46198	6.0
69.67889	0.6
70.36362	0.7
71.04992	4.1
71.08624	24.7
73.02899	1.5
74.93238	0.6
79.05034	1.1
79.05483	15.9
81.03410	48.5
81.07048	30.4
83.04972	12.8
83.08610	25.0
85.02401	1.4
85.02898	23.0
85.03410	1.2
85.04324	0.6
85.06554	1.6
85.10171	12.8
88.44470	0.6
89.06016	1.4
91.03927	1.5
91.05470	23.2
93.07031	11.5
95.04957	18.9
95.08595	22.1
97.02885	4.8
97.06528	3.6
97.10164	6.9
98.20763	1.3
99.11759	0.7
103.07570	0.8
105.06349	1.3
105.07019	15.6
107.04939	5.4
107.08587	6.2
109.06525	4.4
109.10148	9.8
111.04413	2.2
111.08067	6.8
111.11765	0.6
113.06004	1.7
115.05444	1.1
117.06988	1.3
119.08575	15.4
120.86675	0.6
121.06496	1.4
121.10144	7.9
123.08056	1.5
123.11681	3.9
125.09582	1.5
129.07004	8.0
131.08557	8.7
133.06458	1.9
133.10124	10.0
137.09590	1.0
137.13206	1.3
142.07770	1.3
145.10065	1.2
147.07999	3.1
147.11678	11.3
149.09602	4.0
157.10112	10.2
165.12737	2.7
175.11172	10.6
184.07362	1.2
193.12224	32.3
198.92589	0.7
200.45660	0.7
211.13280	52.7
212.13626	1.1
218.02148	0.7
237.03444	0.7
239.23701	2.2
249.14853	0.9
257.24686	1.5
267.15887	16.5
285.16934	71.4
286.17236	1.0
313.27332	78.3
314.27582	1.6
465.36139	1.2
479.38315	0.7
505.38898	15.9
523.39880	100.0
524.40149	3.0
720.46973	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	720.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
55.05504	10.8
57.03432	12.3
57.07071	29.3
60.12557	1.2
61.02915	2.3
65.50224	1.2
67.05502	26.5
69.07065	16.8
69.50841	4.5
69.51268	8.5
71.04987	2.9
71.08620	24.8
79.05487	11.6
81.07050	72.1
83.04980	3.6
83.08622	12.1
85.02879	1.4
85.06523	4.7
85.10172	18.9
91.05465	16.2
93.07032	8.1
95.08601	29.9
96.54534	1.3
97.06519	4.0
97.10159	5.0
99.08080	3.7
105.07012	29.2
107.08595	11.0
107.09280	1.8
108.98808	1.0
109.06516	3.2
109.10167	7.6
119.08567	21.1
121.10138	18.1
123.08066	4.0
123.11694	30.1
127.07542	2.0
131.08577	1.6
131.66064	1.3
133.10126	2.2
137.13225	3.1
147.07990	1.3
147.11682	60.3
147.12878	3.0
157.10110	3.9
165.12737	24.9
183.13850	3.0
184.07368	1.7
189.63026	1.4
229.14288	3.8
239.23654	2.4
257.24820	2.8
267.15891	86.8
267.72000	1.4
280.27478	1.3
285.16943	91.5
298.96140	1.4
313.27350	100.0
331.28506	2.3
523.39905	84.2
524.40192	3.2
546.10968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01871	1.9
55.05286	1.2
55.05510	14.5
57.03432	10.5
57.07069	34.1
61.02903	2.0
65.03924	1.2
67.05500	22.3
69.03417	3.2
69.07067	11.3
71.04978	3.4
71.08623	25.3
79.05488	13.8
81.03408	36.7
81.07053	27.7
83.04978	7.4
83.08617	20.6
85.02898	17.9
85.06542	1.4
85.10166	14.2
89.06016	1.9
91.03954	1.8
91.05476	16.8
93.07027	10.6
95.04953	14.4
95.08024	1.8
95.08598	23.9
97.02930	2.5
97.06495	3.2
97.10164	5.8
98.21446	3.9
105.07022	10.9
107.04939	5.4
107.08567	4.3
109.06502	3.0
109.10147	10.0
111.08047	4.2
117.07018	1.2
119.08591	8.8
121.10106	4.5
123.08063	1.4
123.11672	3.4
129.06978	6.0
131.08583	6.4
133.06436	2.6
133.10132	6.1
147.11664	7.3
149.09586	2.4
157.10124	8.2
175.11224	10.6
175.88922	1.5
193.12242	24.5
211.13286	32.1
239.23589	2.3
267.15927	12.8
285.16956	39.8
313.27341	78.3
462.33759	1.4
505.38940	19.6
523.39880	100.0
524.39960	2.7
547.01941	1.7
609.82080	1.6
649.14282	1.5
750.64087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03940	3.7
55.01857	2.3
55.05509	7.9
57.03427	5.3
57.29499	0.6
61.02915	0.6
61.49338	0.6
65.03934	1.3
66.40115	0.6
67.05496	25.6
69.03415	3.1
69.07056	5.3
70.78038	2.2
71.04985	2.6
74.67316	0.7
79.05485	30.9
81.03409	41.3
81.07046	23.3
82.72670	0.6
83.04974	8.4
83.08611	10.3
85.02896	2.7
85.06538	1.7
91.05035	0.5
91.05468	25.6
93.07033	28.0
94.07368	0.7
95.04960	18.4
95.08592	11.4
97.02871	1.9
97.03474	0.6
97.06511	3.3
97.10153	2.5
99.08065	0.8
105.07018	19.8
107.04937	5.3
107.08573	9.0
109.02872	1.2
109.06514	5.3
109.10153	3.2
111.04428	2.4
111.08070	3.5
115.05451	1.7
117.06986	3.7
118.07379	0.8
119.04940	0.8
119.08572	14.7
121.06481	1.8
121.10117	3.7
121.84386	0.6
123.08058	2.2
125.05988	0.9
125.09617	1.1
127.03928	0.9
128.06233	1.5
129.06999	9.8
131.08546	5.5
133.06477	1.9
133.10109	7.4
134.10394	0.7
135.08102	1.2
135.11638	1.4
137.09607	1.2
141.06943	0.8
143.08539	3.7
145.10121	6.8
147.04428	0.9
147.08044	3.5
147.11674	16.2
149.09590	2.2
149.13219	0.8
154.61603	0.7
157.10124	5.1
159.11694	1.3
161.09641	2.3
161.13220	3.8
163.11192	0.9
165.12834	0.8
169.10226	0.8
171.11685	10.2
173.04449	1.4
175.11172	4.5
176.78494	0.7
181.12193	0.8
189.12775	3.4
193.12241	8.8
207.13799	8.7
211.13281	1.6
267.15897	36.2
268.16302	1.2
269.17563	1.4
275.20090	1.7
280.89410	0.6
281.17441	40.7
282.17731	1.2
285.16934	1.1
423.27036	0.9
427.63934	0.7
447.27350	1.3
455.28635	0.7
473.28970	100.0
474.29367	5.0
478.95258	0.7
491.30234	2.1
515.30310	1.8
541.36157	0.7
559.35858	1.0
581.30963	1.5
653.22406	0.7
720.41547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.6
53.87734	1.9
55.01876	14.3
55.05511	37.2
57.03439	13.7
61.02925	5.3
61.60757	2.0
62.06540	2.1
65.03928	5.5
67.05155	3.5
67.05502	68.4
69.03432	24.0
69.07069	22.8
71.04990	12.6
73.02895	4.7
73.06561	2.3
75.55019	2.2
79.05035	4.5
79.05488	65.9
81.03412	100.0
81.07055	87.3
83.01341	2.6
83.04976	21.4
83.08617	25.0
85.02901	19.6
91.03934	2.6
91.05479	60.9
93.07039	50.2
95.04967	36.1
95.08601	35.3
97.02888	20.7
97.06527	10.2
97.10155	8.7
98.21462	6.9
99.04453	7.6
99.08081	3.4
105.07027	53.4
107.04927	16.7
107.08591	32.4
109.02879	16.1
109.06523	11.9
109.10149	20.4
111.04450	12.2
111.08078	11.9
115.05458	3.7
117.07027	19.8
119.04934	4.0
119.08585	31.9
121.06509	12.7
121.10104	17.7
123.04474	4.8
123.08062	8.8
123.11686	7.2
125.09615	8.7
127.03909	11.7
128.06221	3.8
129.07001	14.9
131.03366	2.6
131.04916	3.2
131.08565	28.9
133.06473	9.6
133.10132	39.7
135.08049	12.2
135.11690	7.9
137.05949	2.8
137.09595	5.9
141.06958	3.6
142.07741	2.8
143.08534	9.8
145.06483	4.9
145.10139	16.0
146.91341	2.2
147.08028	7.9
147.11667	19.5
149.09604	12.2
149.13237	3.1
151.11177	17.6
153.12767	4.4
155.08519	6.5
157.10092	14.9
159.08105	5.7
159.11700	10.1
161.09602	10.5
161.13286	4.0
163.11185	8.8
165.12706	3.2
167.08655	2.6
169.10127	6.8
169.12230	2.4
171.11693	8.1
173.04492	14.0
173.09628	5.5
175.11221	10.7
177.09128	5.3
177.12732	3.9
181.10106	4.1
181.12343	5.2
183.11832	2.5
185.09555	4.7
189.11218	5.3
189.12811	3.9
191.10736	3.8
193.12228	21.5
195.11710	3.7
199.11177	3.4
203.10666	3.2
209.13292	2.7
211.13245	28.2
211.14911	2.8
223.13254	3.3
227.12822	9.3
233.15428	3.7
245.19063	4.1
253.14368	9.3
255.17270	2.5
267.15945	6.0
273.15558	4.0
273.18454	28.4
275.20032	8.6
284.11288	2.9
285.16962	5.4
289.17810	3.8
290.87613	2.1
291.19495	30.5
299.19940	3.4
313.21671	2.4
329.21359	2.7
337.16400	2.2
347.22186	10.4
365.23267	9.8
411.20096	4.0
417.22653	3.3
451.56851	2.3
525.35797	4.8
525.92102	2.4
539.33777	11.5
543.36597	2.7
557.34399	16.7
575.35767	8.0
587.38989	2.6
588.33484	2.3
701.38861	11.6
719.39923	53.9
720.40070	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	719.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76456	2.1
53.03941	12.0
55.01870	11.8
55.05505	46.5
56.96560	2.9
57.03427	17.2
57.07057	2.4
59.04998	2.8
61.02917	4.1
65.03936	5.1
67.05141	4.0
67.05499	69.2
68.05823	2.5
69.03422	32.8
69.07066	31.7
69.56860	17.5
71.04984	13.8
73.02914	2.7
79.05483	62.6
81.03410	100.0
81.07051	64.7
81.07443	1.6
82.07386	2.5
83.04972	22.0
83.08614	28.6
85.02895	23.7
85.06530	3.1
87.09325	2.1
91.05469	64.9
93.07034	47.8
93.07597	3.7
95.04964	38.1
95.08597	26.7
97.02875	25.5
97.06536	12.5
97.10163	22.7
99.04461	9.5
101.02368	2.8
101.54411	2.0
102.34663	1.8
103.05467	3.1
105.07019	39.9
107.04946	16.8
107.08577	31.9
108.08922	2.3
109.02866	21.4
109.06511	12.3
109.10138	20.0
111.04423	13.7
111.08078	13.0
111.08755	1.7
111.20646	1.8
113.06026	2.4
115.05437	4.9
117.07014	17.4
119.04985	2.3
119.08572	36.6
121.06478	12.7
121.10131	16.3
123.04433	3.0
123.08051	13.0
123.11713	5.5
125.09600	20.0
127.03896	17.1
128.06252	4.1
129.05466	3.2
129.06998	14.8
131.04884	3.5
131.08557	29.7
133.06509	7.6
133.10138	22.8
135.08054	8.7
135.11697	9.5
137.06001	2.8
137.09592	6.7
141.07014	2.2
142.07797	4.5
143.08543	10.1
145.06508	6.1
145.10121	16.3
147.08018	13.3
147.11708	15.8
149.02345	3.1
149.05948	2.2
149.09645	11.2
149.13255	5.2
150.13573	2.3
153.09084	4.2
153.12779	4.0
155.08519	3.0
157.10139	11.7
159.08099	4.8
159.11630	10.2
161.09628	6.3
161.13312	2.3
163.11179	10.0
165.12807	3.8
169.10126	4.3
171.07997	3.2
171.11736	5.5
173.04460	7.0
173.09633	4.0
173.11836	2.9
173.13268	3.0
175.11194	13.2
177.12762	2.6
179.14435	1.9
181.10239	3.2
181.12262	7.2
183.11761	2.2
185.09535	4.1
185.13324	3.1
187.11148	4.2
189.11258	9.2
191.10660	8.5
193.12206	25.7
194.12703	2.2
195.11845	2.4
195.13840	4.7
199.11266	2.4
205.12170	3.3
211.13257	39.8
219.13814	4.1
223.13239	13.0
225.30934	1.9
227.12743	17.1
227.17903	2.1
229.14368	4.1
249.14954	3.1
255.17615	3.1
261.15036	2.3
266.00830	1.9
267.08966	4.4
267.15857	12.4
269.10587	4.6
269.17651	3.9
273.15262	3.8
273.18451	27.9
275.20029	10.8
285.10281	11.0
285.16974	5.6
287.11697	4.0
289.18008	3.9
291.19498	78.2
301.14368	3.2
303.23016	2.9
313.21609	2.8
319.15506	2.6
329.53168	2.5
331.22607	2.5
337.16446	5.2
341.16415	3.0
341.66534	2.3
347.22278	8.8
349.23834	3.6
355.17621	8.1
365.16245	3.1
365.23239	9.3
381.20935	2.5
383.22745	2.6
393.19128	2.1
395.27963	6.4
397.18848	4.1
397.69177	5.6
405.81369	2.0
411.20374	5.8
423.27380	3.6
424.27600	3.8
429.21335	3.4
430.12366	4.0
435.24048	2.4
447.28629	2.1
465.29996	3.4
483.30936	2.7
487.18451	2.5
539.33734	7.1
557.34778	20.4
575.35669	10.2
665.37561	3.0
701.38239	12.9
719.39880	81.6
720.41150	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	718.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
52.03136	0.5
53.03935	1.4
55.01864	3.0
57.03429	0.5
58.30187	0.4
65.03925	3.9
66.04716	0.4
67.05488	1.9
68.22348	0.4
69.03414	0.8
71.39234	1.0
71.39597	0.4
75.04472	2.1
77.03935	0.5
78.04713	1.4
79.05477	3.4
81.03416	2.5
81.07039	0.5
85.02905	3.9
89.03912	1.1
89.06027	0.7
90.81506	0.4
91.05473	7.8
93.03402	7.1
93.07037	2.5
94.04155	1.5
95.04951	5.1
97.06520	1.5
103.05460	22.9
104.06332	0.5
105.03387	1.5
105.07011	3.5
106.04171	11.4
107.04951	7.5
108.02113	1.4
109.02893	0.4
109.06489	2.0
110.03663	0.6
111.04410	1.9
115.05444	4.0
117.03355	0.5
117.07018	3.7
118.04160	3.6
119.04951	2.3
119.08583	0.6
120.05710	0.7
121.06495	14.1
122.03639	3.7
123.04409	2.8
124.05193	0.8
125.05988	6.2
128.06229	0.7
129.07010	1.5
130.04155	0.8
131.04918	37.4
132.05676	1.7
133.02834	1.8
133.06490	5.9
134.03650	2.4
135.04396	2.6
135.08049	2.5
136.01604	0.4
137.05963	64.6
139.03882	0.7
139.07516	1.7
141.05446	2.0
143.04942	2.2
144.05669	0.7
145.02826	1.1
145.06436	4.3
146.03636	1.1
147.04399	2.0
147.08032	1.7
148.05179	11.8
149.04745	0.7
149.05968	25.3
151.03896	81.3
151.04961	3.6
151.07417	2.3
152.04558	1.1
153.05479	2.8
153.07158	0.5
153.09100	6.2
155.07100	0.5
157.06471	1.6
159.04420	1.1
159.08026	0.6
160.05209	2.1
161.05978	3.8
162.01324	1.6
162.06715	0.6
163.02217	0.4
163.03871	2.5
163.07530	26.1
165.05487	3.5
165.09068	0.6
166.06216	1.0
167.07027	15.6
171.04355	1.1
171.06506	0.6
173.05997	3.6
174.06837	1.0
175.07552	5.6
176.04704	2.9
177.05460	19.7
177.09016	1.1
178.06218	0.6
179.01610	1.2
179.07016	1.5
181.04951	19.7
181.08569	13.8
182.09509	0.4
187.07530	2.0
188.08318	0.5
189.05444	1.3
189.09068	1.4
190.00810	1.4
190.06258	0.8
191.07011	100.0
192.07701	2.1
193.03250	0.7
193.04936	1.4
193.08640	2.2
195.06482	2.2
201.05437	0.9
203.07008	2.7
205.06525	1.0
205.08601	3.1
207.06380	0.9
207.08525	0.6
207.10301	0.6
208.01915	1.0
209.08073	81.4
210.08440	1.0
211.07480	0.9
215.06862	0.6
217.08543	1.0
219.06306	0.8
219.08185	0.9
219.10120	1.6
221.09735	0.5
223.04221	18.2
223.09680	1.0
225.09041	0.7
227.06911	0.5
231.06369	1.1
233.08009	4.2
234.06822	1.0
235.07483	0.9
235.09598	4.0
237.09045	1.5
239.10609	0.9
245.08119	0.6
247.07536	0.5
249.09079	1.4
250.06192	0.4
251.06903	0.7
259.09521	0.7
262.06107	0.7
263.06952	0.9
263.09134	15.2
265.08490	2.0
267.10156	0.9
269.08087	0.4
277.08484	1.3
278.05643	0.6
279.09961	0.5
281.11588	0.5
283.09866	0.5
291.10086	0.5
293.07965	1.0
294.08820	0.8
295.09567	1.8
297.11121	0.8
299.12769	0.7
305.08029	0.8
307.09567	0.6
309.11084	1.6
312.09058	2.8
323.09134	0.5
325.10495	1.0
327.12393	3.1
329.13705	1.5
337.10690	1.1
339.12259	1.0
341.13715	0.9
351.12164	1.2
355.11707	8.3
356.11765	0.6
357.13116	1.5
359.14856	1.7
369.13245	3.2
387.14368	28.1
388.14856	0.7
579.22186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03947	1.0
53.14794	0.4
55.01874	2.7
65.03938	4.0
67.05501	2.3
68.99779	0.5
69.03413	0.8
70.06532	0.4
70.11005	1.8
71.04978	0.7
75.04490	2.7
77.03900	0.7
78.04711	1.5
79.05497	3.0
80.13012	0.4
81.03425	1.7
81.07053	0.6
85.02903	3.2
89.03916	1.0
91.05474	8.3
93.03398	6.4
93.03939	0.5
93.07041	3.1
94.04174	1.3
95.04956	6.1
95.08611	0.6
97.06533	1.8
102.04700	0.5
103.05467	22.6
104.84318	0.5
105.03389	1.6
105.07034	3.7
106.04170	13.3
107.04947	7.6
108.02109	1.3
109.02878	0.5
109.06509	1.7
110.03651	0.8
111.04453	1.6
115.05463	3.2
117.03344	0.7
117.07005	3.9
118.04147	3.7
119.04969	2.3
121.06504	14.5
122.03645	4.3
122.07321	0.5
123.04414	2.6
124.05264	1.1
125.05982	6.7
128.06233	0.6
129.06946	1.0
130.04164	1.4
131.04927	33.8
131.08549	0.6
132.05681	2.0
133.02876	1.8
133.06459	5.1
134.03630	2.8
135.04393	1.9
135.08052	2.4
137.05971	63.8
139.03905	0.6
139.07509	2.0
141.05457	1.9
143.04941	1.9
144.05695	1.0
145.02829	1.2
145.06491	4.2
146.03633	1.0
146.07266	0.5
147.04436	1.9
147.08073	1.0
148.05196	10.6
149.05975	27.5
151.03905	76.0
151.04979	4.8
151.07439	2.7
152.04575	0.9
153.05496	3.1
153.09097	7.9
155.04929	0.6
157.06502	1.0
159.04436	1.3
159.08109	0.6
160.05226	1.8
161.05968	3.8
162.01357	1.5
162.06647	0.7
163.02104	0.5
163.03868	2.2
163.07533	25.1
165.05473	3.7
166.06229	0.8
167.07036	13.8
171.04362	1.0
171.06514	0.8
173.05995	4.4
174.06821	0.8
175.07524	5.0
176.04715	2.9
177.05464	20.5
177.07024	1.1
177.09029	0.9
179.01590	0.8
179.07025	1.5
179.08493	0.5
180.07780	0.7
181.04959	20.8
181.08569	14.3
187.07555	2.0
189.05426	1.1
189.09081	1.7
190.00842	1.1
190.06198	0.5
191.07024	100.0
192.07736	2.1
193.03227	0.6
193.04893	1.1
193.08618	1.8
195.06528	3.0
200.32249	0.5
201.05453	1.3
203.07030	4.0
204.07896	0.5
205.06483	1.2
205.08603	2.9
207.06390	0.7
207.08507	0.6
207.10306	0.9
208.01920	1.0
209.08081	91.0
210.08560	0.6
211.07758	0.6
213.05627	0.5
217.08562	0.7
219.08281	0.6
219.10037	2.1
221.07964	0.9
222.06891	0.7
223.04233	16.1
223.09740	1.3
227.07062	0.8
231.06387	0.7
233.08043	3.2
234.06728	1.3
235.07484	1.0
235.09656	3.7
237.09097	2.0
245.08054	1.4
247.07465	0.7
249.08987	1.2
250.06339	0.6
259.09717	0.7
262.06317	0.7
263.06534	1.0
263.09158	14.0
265.08615	1.5
267.10153	1.4
277.05789	0.5
277.08691	1.9
279.09863	0.6
281.11667	0.7
282.08075	0.5
291.10031	0.5
293.07971	0.9
295.09607	1.7
297.11057	0.6
299.12738	0.6
305.08200	0.8
307.09671	1.0
309.11194	1.2
310.08835	0.5
312.09042	1.9
325.10748	1.8
327.12241	3.2
329.13791	2.0
337.10669	1.7
339.12234	0.9
341.13821	0.7
351.12137	1.3
355.11807	8.2
357.13361	1.6
359.14789	1.3
367.12830	0.5
369.13275	3.3
385.12732	0.5
387.14380	27.0
388.14133	0.5
390.55197	0.5
417.89059	0.5
547.19830	0.5
557.63983	0.5
579.21985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.0
55.01873	26.6
55.05511	22.3
57.03419	10.8
67.05502	66.9
69.03423	9.1
69.07063	40.0
69.22552	3.3
69.40588	39.3
71.05008	4.9
79.05486	66.0
81.03413	38.5
81.07054	74.1
83.04965	14.3
83.08616	12.0
85.02892	8.9
86.09708	4.0
91.05473	86.4
93.07035	63.1
95.01317	14.9
95.04983	20.9
95.08600	47.4
97.06522	48.5
97.10161	5.1
101.73785	3.0
103.05444	6.7
105.07027	100.0
107.04938	29.5
107.08588	22.6
109.06538	6.6
109.10124	9.8
111.04435	5.5
111.08056	4.1
115.05467	8.9
117.07022	26.2
119.08588	46.6
121.06509	8.4
121.10140	14.4
123.04434	5.4
123.08074	7.8
128.06218	4.3
129.07004	17.0
131.04881	4.2
131.08565	29.9
132.11287	3.4
133.06520	5.6
133.10123	49.9
135.08037	5.4
135.11639	13.3
137.09540	4.0
141.06955	5.4
143.08562	12.8
145.06491	11.8
145.10121	20.4
147.08060	7.4
147.11633	20.9
149.09602	11.2
149.13216	8.4
151.11345	4.0
155.08534	7.8
157.10121	10.3
159.08023	5.2
159.11728	16.7
161.09547	3.5
161.13278	11.8
163.11134	4.8
169.10071	8.5
171.08029	3.8
171.11719	12.2
173.09618	4.2
173.13208	4.8
177.12735	8.1
179.14282	14.7
181.10141	4.9
184.07346	13.2
185.13104	4.3
186.00182	3.5
187.11151	7.5
189.12680	4.7
207.13689	7.3
223.14755	4.5
239.17833	5.4
241.14354	4.0
257.18985	5.4
269.15375	6.7
275.20078	96.9
279.15869	16.2
281.17523	10.7
287.16382	10.9
349.23737	27.3
361.20242	5.2
425.21448	12.1
555.36542	33.0
569.37872	6.1
635.39600	5.3
699.40814	9.3
717.44360	29.1
717.58466	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	714.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05507	4.6
56.05037	3.8
57.07055	2.0
57.72478	0.5
58.06583	0.9
60.04516	1.9
67.05203	0.8
67.05502	10.0
68.05013	1.2
69.03415	1.1
69.07061	6.4
70.06560	2.4
71.08619	1.8
71.48972	1.3
72.04488	0.8
79.05487	9.0
80.05000	1.8
81.05786	1.0
81.07048	10.6
82.06568	6.2
83.08621	3.9
84.08136	0.7
85.02895	1.4
91.05473	7.1
93.07037	8.8
94.06549	16.2
95.04955	1.2
95.06799	0.8
95.07346	7.7
95.08594	6.3
96.08121	4.6
97.10137	1.9
105.07036	5.6
107.08594	4.7
108.08094	2.4
109.10165	3.2
111.11737	0.6
119.08548	4.1
121.08842	0.7
121.10120	5.1
122.09646	2.2
127.03890	0.8
133.10129	3.6
135.11670	2.6
147.11694	1.3
149.13173	0.7
161.13261	0.9
185.16731	0.5
233.22711	4.1
234.22107	0.7
245.22607	4.9
250.25266	8.0
254.24738	0.9
262.25281	100.0
263.25699	3.3
272.25784	5.9
280.26324	7.9
442.32123	0.8
495.31366	0.7
504.47623	6.1
516.47766	29.6
517.48083	1.3
518.49286	4.9
534.48792	15.4
535.48578	1.3
662.30939	0.9
696.53461	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	714.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07958	0.2
55.05490	0.5
56.05027	0.7
57.03411	0.2
58.06597	0.5
60.08160	6.5
67.05499	1.2
69.07054	0.5
69.39806	2.3
71.07368	3.0
73.35043	0.3
79.05479	0.8
81.07053	1.0
81.50668	0.2
83.08603	0.3
86.09696	31.8
91.05450	0.6
93.07043	0.9
95.08587	0.6
98.98447	2.8
104.10731	2.5
105.07027	0.5
107.08550	0.4
121.10110	0.3
124.99992	20.5
131.08534	0.4
140.22903	0.2
143.01082	0.6
161.72012	0.2
184.07326	100.0
185.07637	0.4
520.34045	0.3
593.81177	0.2
665.00800	0.3
714.35138	0.3
714.46973	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	713.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14138	0.3
51.73431	0.3
53.03947	0.7
55.01882	0.4
55.05506	1.9
56.96564	0.4
57.03431	2.5
60.97701	0.4
61.02922	5.6
67.05498	4.8
69.03412	3.4
69.07067	1.0
70.05741	1.3
70.06148	0.9
70.95819	0.4
71.01359	0.7
71.04983	3.4
73.02905	3.5
79.05479	2.7
81.03415	3.3
81.07050	6.4
83.04972	4.2
83.08625	1.2
85.02894	6.7
85.06552	1.0
91.03934	3.1
91.05472	5.6
93.07030	2.5
95.04980	1.7
95.08595	1.3
95.74807	0.4
97.02884	3.9
97.06561	0.9
99.04465	1.0
101.02390	2.0
103.03976	0.5
105.07043	2.1
107.04981	1.0
107.08575	2.0
109.02890	1.4
109.06519	0.5
109.10152	0.5
111.04436	6.0
111.08071	0.8
115.03946	0.4
119.04937	2.7
119.08607	1.6
121.06577	0.5
121.10172	1.3
123.11704	1.1
127.03925	2.1
129.07010	0.5
131.08537	0.9
133.10146	2.8
135.11681	0.6
137.05972	0.5
147.04401	10.6
147.11702	1.2
148.04755	0.9
149.09595	0.6
149.13272	0.9
151.11179	0.9
153.05521	2.4
157.10060	0.4
159.11731	0.5
167.57457	0.3
171.06543	0.7
175.11240	1.0
177.12813	0.5
183.13815	0.9
185.04362	0.4
187.13266	0.4
193.12335	1.2
195.13844	0.6
243.08424	2.6
251.12656	1.1
254.11441	0.4
257.17322	0.5
265.05243	0.6
267.09195	1.2
267.15836	1.1
269.10580	0.6
269.17535	0.8
283.06363	1.6
283.15204	0.6
285.10391	1.9
285.16821	0.4
287.11737	0.5
301.20142	0.5
323.11508	0.5
393.01294	0.7
411.02307	0.4
412.27515	0.4
441.21246	0.5
453.20688	2.2
469.20236	4.6
485.16968	0.8
485.23535	7.4
487.18677	0.6
501.23050	1.5
639.47113	0.4
644.01056	0.5
654.86273	0.4
713.37207	100.0
714.37482	6.5
733.11176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64964	0.6
55.05503	7.3
57.03422	1.2
59.16469	0.7
61.02929	1.1
63.59003	0.7
65.03922	0.9
67.05497	5.2
69.03424	1.4
69.07052	1.0
71.47295	1.4
79.05487	3.3
81.03399	3.6
81.07048	3.8
83.04970	46.0
83.11141	0.7
85.02879	2.3
86.09650	1.3
91.05461	7.3
92.05798	0.7
93.07040	2.4
95.04950	3.7
95.08591	1.2
97.02850	1.5
97.06541	1.2
101.06063	0.7
103.87984	0.7
105.07021	1.4
107.04926	2.1
107.08557	1.0
109.10139	2.4
111.04429	100.0
112.04762	1.4
115.04020	0.8
119.04932	11.6
119.08572	1.4
123.04417	4.8
124.99985	1.7
127.03918	1.3
129.05455	3.5
129.08282	0.6
131.08566	1.5
133.10138	0.9
135.11662	0.8
137.05927	2.0
143.04938	0.8
145.10095	0.9
147.04391	63.2
147.11737	0.9
148.04739	1.1
153.05447	60.0
165.05513	1.2
171.06516	5.3
175.11160	1.0
177.05414	0.8
184.07327	8.0
185.07716	0.7
193.12148	1.3
213.07565	1.7
237.13400	0.7
257.08112	1.3
267.09021	0.7
267.15948	3.1
268.16455	1.2
269.16861	0.7
273.09692	3.0
285.10266	1.5
319.04532	2.0
356.99738	0.7
377.12051	3.3
421.25839	1.2
461.28738	1.0
478.28787	0.8
485.16296	0.8
497.30310	1.8
498.31085	1.0
713.32764	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	713.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76265	0.9
53.03933	0.9
54.59155	0.9
55.05511	9.2
55.40215	0.9
57.03426	3.2
61.02919	2.1
65.03918	1.1
67.05505	6.4
69.03403	1.3
70.10973	4.2
71.04979	1.7
76.92609	0.9
79.05472	1.7
81.03401	4.1
81.07021	3.1
83.04977	56.1
85.02901	100.0
86.03226	1.2
86.09660	1.6
91.05466	4.9
93.07013	2.1
95.04971	8.0
95.08576	1.1
97.02888	1.7
105.06995	2.2
107.04958	3.6
107.08575	1.6
109.10128	1.9
111.04438	36.3
115.40726	0.9
119.04930	10.1
119.08543	1.4
121.06539	1.1
121.10108	1.1
123.04420	13.4
127.03909	6.9
129.05476	16.1
129.06964	1.4
131.08565	1.7
133.10155	1.4
137.05972	6.5
139.03888	1.1
147.04396	6.1
151.03802	1.4
153.01836	8.7
153.05434	2.3
165.05504	5.1
171.06514	66.1
172.06789	1.7
175.11139	1.1
184.07384	3.0
193.12108	1.3
211.13232	1.0
219.02788	2.8
231.02789	1.2
231.08647	3.5
245.04437	1.3
259.02341	1.2
267.08920	3.2
267.15927	2.3
283.05981	1.6
285.03885	1.8
285.10077	2.1
299.01901	2.6
300.02603	1.6
301.03757	2.5
311.05301	1.0
313.03317	1.1
314.04236	1.3
318.03571	2.5
327.01443	2.3
327.04913	1.3
328.02164	1.7
329.02856	19.8
330.03796	7.0
331.04309	3.7
342.03757	1.1
343.04276	1.8
354.03574	1.2
355.04254	2.9
356.05045	1.3
367.04309	1.8
384.04636	4.1
385.05576	3.7
410.06339	2.2
411.07016	2.6
447.27386	3.1
448.27597	1.1
465.08127	1.6
483.09015	2.4
485.16339	2.5
493.07721	12.5
495.09152	5.1
549.10138	5.9
562.88257	1.1
575.11963	5.4
593.12830	3.0
653.15210	2.0
712.36188	2.2
713.33136	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10823	0.5
53.03943	1.5
55.01871	1.6
55.05506	12.4
57.03429	2.4
61.02909	0.7
65.03933	0.7
67.05499	1.8
68.99794	0.9
69.03427	2.5
69.68595	0.5
70.04903	2.6
71.01346	1.1
71.04977	1.5
73.02911	1.7
74.18326	0.5
79.05486	0.6
81.03400	1.3
81.07072	0.8
83.04973	79.1
84.05267	0.9
84.05766	1.4
84.49818	0.4
85.02900	21.2
85.94408	0.4
91.05447	3.3
93.07046	0.6
95.04964	5.1
97.02878	2.2
101.06004	2.5
107.04948	16.4
107.08569	0.6
109.02904	0.4
111.04433	100.0
112.04715	1.4
119.04942	5.1
120.05717	10.4
121.02857	2.4
121.06481	0.6
123.04417	6.1
123.20731	0.5
127.03883	3.3
129.05464	12.0
147.04410	8.5
149.05989	1.0
153.01814	6.0
153.05452	32.8
163.03926	0.9
165.01822	0.9
165.05478	3.4
171.06516	20.4
171.07845	0.7
175.03900	0.5
175.07475	0.8
177.05437	2.0
179.03448	1.0
187.03859	1.3
189.07529	0.7
191.03383	3.6
193.04900	0.5
199.07382	0.6
203.03407	1.1
205.04933	5.5
213.09190	0.7
215.03334	1.7
215.06870	0.6
217.08525	0.5
219.02948	2.5
231.08632	15.2
232.08823	0.6
233.04449	8.1
243.02859	1.6
245.04327	1.0
257.04492	0.8
261.03946	12.1
271.02252	1.3
273.03845	1.5
283.06094	1.1
289.03363	9.7
290.04016	1.0
299.01849	1.2
300.02673	0.8
301.03329	1.8
302.04382	0.5
303.04913	0.8
317.02890	34.6
318.03674	9.1
319.04376	4.9
329.02914	1.6
330.03522	1.8
331.04419	3.0
343.04523	2.6
345.02231	1.2
353.02530	0.6
367.04172	0.8
383.07327	1.3
385.05368	0.8
410.06207	4.3
411.06815	2.0
429.08078	0.8
437.08664	10.3
453.07858	1.2
453.21240	1.3
465.08185	14.7
466.08615	0.6
483.09009	1.9
491.06262	0.5
501.22565	0.8
529.11450	3.5
533.10706	0.7
537.09967	1.2
547.11914	1.8
551.11560	1.9
557.10876	2.8
575.03546	0.7
575.11743	8.9
593.12854	7.2
617.12860	6.1
635.13293	2.0
713.37396	11.6
725.33069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01864	6.0
55.05503	12.8
57.03166	0.8
57.03433	11.6
57.07063	2.2
59.04985	1.6
61.02904	2.5
65.03941	1.2
67.05499	49.4
69.03423	2.0
69.07063	14.2
71.01331	1.1
71.04984	2.7
71.64583	1.3
79.05485	37.6
81.03419	3.2
81.07047	40.2
83.04971	14.9
83.08606	6.6
85.02892	2.8
85.06535	2.2
91.05471	18.4
93.07034	50.1
95.04971	3.8
95.08593	28.1
95.09209	1.3
95.76419	0.6
97.02882	1.4
97.06517	8.6
97.10164	6.4
99.04498	0.8
99.08051	0.9
105.07020	10.4
107.04932	1.0
107.08580	29.3
109.06529	0.9
109.10142	13.6
109.35049	0.7
111.08079	3.6
115.10806	0.6
115.71973	0.7
117.06997	4.5
119.08569	8.8
121.10125	16.0
123.11691	2.9
125.09641	1.0
126.54773	0.8
129.07021	0.8
131.08539	4.9
133.10104	6.3
135.08150	1.0
135.11681	34.4
137.09648	1.3
137.13245	1.6
141.48553	0.7
143.08517	0.8
145.10100	8.3
147.11649	4.3
147.95340	0.6
149.13266	3.5
153.12743	7.4
159.11690	4.0
161.13304	2.6
163.11200	5.0
163.14835	2.2
171.11565	1.0
173.13261	3.5
175.14854	1.5
181.12213	11.3
184.07352	0.8
187.14830	1.1
189.11285	1.2
199.13264	1.5
201.16490	0.7
227.12862	1.9
243.21074	3.5
253.14386	1.2
255.15891	65.6
256.16153	1.3
261.22144	11.6
277.21774	0.9
317.24725	2.4
335.25766	76.1
336.26263	2.0
336.89532	0.7
405.31180	1.0
423.32623	2.7
428.52426	0.7
441.33612	2.0
503.35309	0.7
515.37274	100.0
516.37750	3.5
533.38373	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	711.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01856	1.8
55.05507	14.1
57.03434	5.9
59.04985	0.9
60.08155	1.1
61.02919	2.6
65.03944	1.4
67.05501	28.2
68.05817	2.0
69.03414	3.1
69.07059	5.0
71.04990	4.2
71.70288	1.5
73.02909	1.3
75.78541	0.9
79.05492	14.2
80.05830	1.0
81.03419	9.1
81.06565	1.0
81.07054	25.0
82.07380	3.5
83.04977	46.6
83.08617	4.9
83.86206	0.8
85.02898	100.0
85.06535	2.5
86.03227	1.2
86.09694	5.0
87.04461	2.2
91.03957	0.8
91.05468	11.0
92.05817	1.9
93.07042	13.6
94.07376	1.9
95.04955	3.6
95.08611	6.6
97.02870	3.2
97.06511	2.9
97.10178	2.4
99.04427	1.5
105.06985	4.4
107.04954	1.8
107.08600	9.0
108.08916	1.0
109.02865	1.2
109.06487	1.8
109.10146	10.1
111.04439	28.7
111.08070	2.2
117.07024	2.1
119.04936	3.5
119.08580	3.3
120.08893	1.0
121.02818	1.2
121.10150	3.9
123.11703	2.7
123.84675	0.9
125.00036	3.6
125.09621	2.8
127.03906	6.8
129.05478	14.2
129.06964	2.0
131.08542	2.8
133.10129	6.1
134.10522	1.1
135.08147	1.0
135.11710	3.0
137.02361	1.5
137.05963	12.7
140.82930	0.9
145.10081	1.2
147.04398	3.8
147.11673	1.6
149.13260	3.9
150.13612	1.2
151.11150	1.3
153.01765	1.0
153.05440	1.6
157.10167	1.0
159.11726	1.7
163.03935	2.7
163.11134	1.7
165.12759	0.8
167.14291	0.9
171.06519	68.6
172.06845	1.2
173.11755	2.1
175.11215	1.2
177.12772	1.6
179.07007	1.6
181.12158	1.0
184.07335	17.5
185.07680	1.6
193.12280	1.5
195.13829	3.2
199.13310	1.5
210.26448	0.8
223.16988	0.8
229.14333	6.0
231.08781	1.3
243.16087	1.5
246.73941	0.9
267.09137	1.9
267.15991	3.4
268.16177	2.4
269.10587	1.4
269.17496	13.9
270.17795	5.1
281.06860	1.1
283.15500	1.0
285.10117	2.4
301.16516	2.3
301.20184	1.1
303.05075	1.4
314.04196	1.6
315.05002	3.7
327.05042	1.2
341.06830	1.0
356.67020	1.2
369.05899	1.5
381.18445	1.4
411.27240	2.2
412.27887	1.3
423.27301	4.9
424.27698	2.5
437.28873	3.2
438.29004	1.7
461.28909	2.1
462.29178	2.3
463.30310	7.4
464.30585	4.1
469.31573	2.8
470.32269	1.1
477.28326	1.4
481.11475	2.0
481.31348	2.4
493.11154	3.0
495.29449	3.8
496.29831	4.5
513.32483	0.9
547.12347	4.1
573.13593	1.8
591.15295	1.4
651.16803	2.1
711.19006	1.9
711.35895	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	710.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39527	0.9
53.03934	2.8
55.01871	3.3
55.05510	10.1
57.03436	11.5
59.04978	1.1
61.02908	1.5
67.05500	18.0
69.03422	3.2
69.07060	5.9
70.76412	1.8
70.76804	1.7
71.01337	1.0
71.04983	2.4
75.54751	0.8
79.05480	17.6
81.03410	77.7
81.07048	19.5
83.04988	9.4
83.08611	19.2
83.54047	0.9
85.02894	10.1
85.06548	1.4
91.05471	25.0
93.07034	13.2
95.04961	27.2
95.08611	7.8
97.02881	3.3
97.06516	3.6
97.10161	5.4
99.08083	1.1
105.07017	18.6
107.04958	7.7
107.08581	6.7
109.06513	4.6
109.10164	3.3
110.03767	1.0
111.04454	1.2
111.08075	7.1
113.06000	2.2
115.05415	1.4
117.07005	2.1
119.04945	1.4
119.08562	14.7
121.06499	3.4
121.10123	6.5
123.08066	2.9
125.09628	4.2
129.06998	10.9
131.04991	1.0
131.08559	11.6
133.06490	4.0
133.10132	9.3
137.09602	2.1
139.03896	1.9
141.07033	1.3
142.07780	2.7
145.06485	4.2
145.10110	2.1
147.08047	3.8
147.11656	11.2
149.09598	5.8
155.08557	1.1
157.06378	1.0
157.10106	11.4
161.09642	1.2
163.11183	1.9
165.12772	1.9
171.08070	1.5
175.11153	12.5
184.07391	1.5
189.11250	1.3
193.12230	31.2
195.11714	1.4
210.64519	1.0
211.11331	1.3
211.13289	17.7
218.46519	1.0
227.12611	1.0
229.14276	1.6
237.41789	1.0
249.14931	2.4
255.13838	1.7
267.15900	100.0
268.16263	1.2
273.14828	3.8
285.16904	17.4
309.16763	1.3
349.21600	3.4
367.22647	9.4
385.23691	11.7
403.24664	3.0
405.24362	1.5
433.25897	15.9
441.26468	7.3
459.27390	68.4
460.27695	1.8
477.28445	39.5
478.28403	1.2
495.29355	2.7
585.30151	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01866	0.6
55.05506	9.7
57.03435	5.4
57.07059	1.3
59.04985	0.9
59.64112	0.6
60.42477	0.6
61.02914	2.7
65.03948	0.9
67.05500	45.8
69.03412	2.4
69.07060	12.6
70.84859	1.4
70.85215	1.7
71.01356	0.7
71.04618	1.5
71.04987	18.4
73.02908	0.9
79.05485	17.7
81.03412	3.8
81.07050	96.7
82.07388	1.2
83.04970	5.7
83.08617	8.0
85.02912	2.2
85.06535	8.8
91.03957	1.0
91.05473	25.5
92.05791	0.8
93.07041	16.9
93.07597	1.3
95.04975	2.9
95.08598	13.7
97.02878	2.1
97.06527	7.1
97.10172	2.8
99.08096	3.7
101.05978	0.9
105.07021	25.7
107.08583	14.3
109.06503	3.9
109.10159	6.6
111.08088	2.9
117.07005	2.5
119.08572	16.8
121.10138	14.7
123.08091	3.3
123.11697	27.7
125.09586	1.0
127.07559	2.0
131.08540	3.3
133.10127	11.4
135.04526	0.8
135.08086	1.0
135.11673	1.8
137.09549	1.0
137.13257	1.5
139.11252	0.8
145.10118	1.1
147.11674	45.1
148.12001	0.9
149.13223	6.6
150.82109	0.7
151.11163	5.2
157.10136	1.2
159.11667	4.4
165.12740	17.3
165.14066	1.0
169.12170	0.8
177.12741	2.8
177.62993	0.7
183.13834	2.8
184.07320	0.7
187.13255	3.7
193.12297	1.7
195.13786	2.7
201.14865	1.1
207.67868	0.7
213.14844	1.0
224.33690	0.8
225.14865	2.2
229.14372	2.8
243.15901	3.6
251.16335	0.9
257.17459	1.5
267.15897	53.3
269.17484	13.2
285.16949	19.0
301.20062	15.3
320.74606	0.9
420.01230	0.7
435.27319	1.0
445.24380	0.8
453.28455	44.5
454.28577	1.6
461.28787	3.0
467.29855	10.4
479.30035	100.0
480.30435	3.8
511.32678	29.5
511.40305	1.4
655.36993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
53.47716	0.9
55.01858	3.1
55.05505	18.1
57.03202	1.2
57.03432	13.6
57.07063	1.7
59.04988	2.0
61.02914	3.9
64.28095	0.9
65.03931	2.7
67.05496	61.8
67.51225	0.9
69.03406	3.8
69.07056	10.2
69.63907	8.5
71.04985	24.5
73.02931	1.6
73.06539	1.6
79.05484	34.7
81.03407	48.3
81.07047	100.0
82.07380	1.4
83.04967	11.8
83.08614	23.3
85.02897	21.4
85.06533	11.2
91.03947	1.7
91.05470	44.0
92.05803	1.3
93.06433	1.6
93.07034	28.7
95.04957	20.7
95.08588	16.4
97.02885	5.1
97.06527	8.5
97.10157	4.3
99.04443	1.1
99.08094	1.7
105.07014	27.4
107.04942	7.1
107.08583	16.3
109.06515	4.8
109.10154	8.1
111.04427	2.5
111.08081	9.9
113.06002	1.4
115.05404	1.3
117.07005	4.4
119.08567	17.4
121.06487	2.0
121.10119	12.1
123.08054	3.0
123.11679	13.6
125.09628	1.1
127.07597	1.3
129.06973	11.5
131.08536	12.1
132.08879	1.1
133.06473	1.4
133.10118	27.4
134.10446	1.2
135.11688	2.7
137.09578	2.2
139.11163	1.6
142.07744	1.5
145.10114	3.2
147.08052	5.1
147.11667	14.5
149.09613	6.3
149.13254	4.1
151.11153	7.1
157.10107	14.8
159.11719	4.8
163.11169	1.5
165.12738	3.9
168.63840	1.0
169.12289	1.3
175.11177	10.5
177.12701	1.7
183.13800	3.5
187.13200	5.8
193.12221	30.9
195.13828	3.4
211.13284	30.5
211.15198	2.1
213.14659	1.1
225.14717	1.1
243.15964	3.9
253.17865	1.3
267.15897	19.4
269.17477	14.2
285.16913	18.9
301.19977	12.2
301.22971	1.2
417.26126	2.8
435.27380	21.3
436.27744	1.4
439.10992	1.0
443.27881	2.9
453.28421	66.0
454.28760	3.8
461.28949	37.7
462.29013	1.5
467.30045	7.2
479.29956	41.5
480.30060	2.1
493.31406	3.8
511.32648	45.1
512.33075	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	708.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01854	1.7
55.05507	6.8
57.03434	9.3
59.59767	0.9
61.02905	1.2
65.03932	1.7
67.05498	27.0
69.03411	1.7
69.07064	8.7
69.57537	5.6
69.57969	3.6
71.04968	3.8
79.05489	16.2
81.03412	47.6
81.07052	34.6
83.04976	4.3
83.08612	13.9
85.02898	1.1
85.06544	2.0
91.05476	16.6
93.07037	26.8
95.04967	16.7
95.08591	10.0
97.02896	1.3
97.06512	4.9
97.10148	2.1
105.07034	9.2
107.04935	3.3
107.08583	15.2
109.06509	2.1
109.10155	3.2
111.04433	1.4
111.08077	6.2
111.64042	1.0
117.07014	4.9
119.08567	6.3
121.06510	1.7
121.10139	11.0
129.06998	5.1
131.08545	8.9
132.45338	0.9
133.06468	2.2
133.10081	5.0
135.08073	1.2
135.11665	3.8
142.07716	1.1
145.10110	1.0
147.08034	1.3
147.11655	6.4
149.09615	2.6
149.13249	13.7
157.10120	6.4
159.11690	6.4
165.12738	1.4
175.11156	5.6
177.12750	2.5
193.12218	12.7
195.13808	4.2
211.13251	1.2
249.14853	1.9
267.15906	44.7
268.16251	2.3
269.17465	47.7
269.86893	0.9
270.17746	2.1
329.91675	1.2
340.66183	1.1
387.42065	1.1
401.30084	1.1
417.26404	1.5
435.27414	4.1
443.27872	3.0
453.28259	1.8
461.28970	100.0
462.29214	3.9
479.29987	4.6
503.29706	1.6
511.32785	1.6
569.31073	1.4
684.34937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
55.01865	20.5
55.05505	37.5
57.03168	2.5
57.03432	36.2
57.07064	2.9
57.56539	1.2
59.05002	2.4
61.02919	8.3
65.03941	2.8
67.05498	57.8
69.03414	10.3
69.07063	14.3
70.38337	6.5
71.01329	1.9
71.04987	7.5
73.02900	6.8
79.05486	54.7
81.03410	100.0
81.07049	52.5
82.04192	5.9
83.04523	2.6
83.04975	31.5
83.08615	37.1
85.02898	32.9
85.06528	3.8
87.04434	2.1
87.48000	1.3
91.03928	2.9
91.05473	54.5
93.07034	36.1
95.04961	48.4
95.08604	20.1
97.02883	10.5
97.06510	11.4
97.10162	18.7
98.07298	8.1
99.04424	1.8
99.08106	2.4
101.05956	1.6
105.06346	2.3
105.07022	33.6
107.04939	12.7
107.08588	21.4
109.06512	11.7
109.10146	16.7
111.04443	5.4
111.08070	18.7
113.05989	3.9
115.05434	2.1
116.04683	13.3
117.05436	1.3
117.07005	6.7
119.04942	2.4
119.08575	32.3
121.06480	5.4
121.10146	16.4
123.04527	1.6
123.08028	8.2
123.11661	3.5
125.09601	22.1
127.07543	2.8
127.11190	2.0
128.36171	1.2
129.05473	37.1
129.06963	18.0
131.08565	19.5
133.06497	4.8
133.10117	18.2
135.08031	4.8
135.11697	6.6
136.08820	1.5
137.09575	6.8
142.07753	3.3
143.07045	9.2
143.10648	2.1
145.10080	9.0
147.04388	3.6
147.08073	8.8
147.11661	23.7
148.11903	1.4
149.09586	11.5
151.11208	1.9
153.09055	2.9
153.12747	3.2
155.08478	2.1
157.08598	16.6
157.10112	23.0
158.05800	1.9
163.11157	11.2
165.12741	7.2
167.10628	1.8
171.06512	3.9
171.10165	6.5
173.09540	2.5
173.11714	3.8
175.11174	26.9
181.12183	2.9
189.11177	10.0
191.10646	3.7
193.12230	76.2
194.12744	1.3
199.09714	1.9
199.13271	17.7
200.14085	2.8
209.11725	12.0
210.12468	2.6
211.13275	96.7
212.13699	1.7
227.12794	14.5
229.14304	3.9
243.16039	2.0
247.13293	4.8
255.15915	3.4
265.14166	2.1
267.15881	34.3
269.17477	2.6
283.15411	10.5
283.18283	1.7
285.16940	67.9
301.16428	71.1
302.16919	1.9
321.16876	1.8
339.18011	2.2
386.81583	1.5
409.25592	5.3
427.26807	3.9
439.26779	9.9
453.28421	1.8
459.27206	4.4
461.28876	3.4
475.27014	2.1
476.27472	3.4
477.28244	4.1
479.29269	1.9
493.27914	18.0
494.28699	8.7
511.28979	66.6
512.29736	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70688	2.2
53.03943	12.4
55.01868	5.0
55.05509	29.3
57.03429	14.7
65.03919	4.8
66.73234	2.3
67.05147	5.2
67.05495	76.8
69.03427	29.1
69.07056	20.2
71.04982	12.1
71.17262	4.6
71.17571	2.6
79.05482	52.6
81.03406	100.0
81.07047	80.6
82.07420	2.6
83.04971	37.9
83.08621	26.0
85.02892	21.5
85.06531	3.7
87.04425	2.6
91.03954	2.3
91.05473	52.3
93.07030	55.0
93.07597	3.7
95.04950	25.4
95.08595	51.0
97.02890	23.5
97.06516	11.0
97.10169	8.9
99.04431	6.8
99.08102	3.6
105.07014	36.1
107.04938	8.7
107.08591	34.6
109.02849	13.5
109.06508	9.8
109.10145	19.9
111.04424	20.8
111.08078	14.0
115.05391	3.1
117.07022	13.4
119.08570	30.0
121.06492	3.7
121.10133	25.8
123.11703	7.4
123.59596	2.2
125.09593	4.4
127.03860	14.2
128.06129	2.8
129.05467	10.3
129.06972	12.3
131.08559	23.0
133.06468	6.6
133.10106	20.9
134.68700	2.2
134.81909	2.1
135.08037	4.0
135.11665	13.5
137.13274	2.4
141.39621	2.1
143.08563	8.3
145.10110	12.6
147.08003	2.8
147.11656	27.1
149.05986	2.4
149.09575	4.8
149.13260	6.8
153.12735	6.9
155.08501	5.0
157.10139	17.0
159.11652	11.8
161.13275	4.5
163.11171	9.3
165.12791	5.7
171.11694	6.0
173.09625	5.2
173.13246	5.5
175.11151	13.1
179.14346	3.1
181.10052	2.8
181.12184	11.3
183.06670	2.6
184.07347	7.0
185.13220	3.9
187.11234	3.0
191.10652	8.0
193.12216	43.2
197.13164	5.4
209.11537	3.1
211.11249	3.6
211.13277	64.5
211.15202	4.1
226.54221	2.8
227.12727	15.7
229.14334	5.3
243.21025	4.6
261.22217	13.0
267.15906	12.6
269.17462	3.0
277.21591	5.6
280.45853	2.4
283.15317	7.7
285.16928	18.8
301.21808	2.7
315.23340	2.7
317.24646	2.5
323.23483	2.4
335.25769	29.7
337.16467	4.1
337.27460	11.4
351.22937	2.8
355.17535	4.8
369.24313	6.6
387.25101	3.0
390.40750	2.9
429.21045	5.7
435.32178	2.6
443.27490	4.3
527.37573	7.0
545.38354	36.0
551.09393	2.8
563.39563	3.2
653.40033	4.5
671.40759	3.8
689.43146	14.2
707.43481	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.5
54.02382	2.0
55.01867	8.1
55.05515	29.9
57.03431	14.1
57.07070	10.0
65.03940	5.2
67.05497	71.5
69.03426	21.5
69.07066	20.1
69.96889	12.7
71.04984	10.1
73.02915	3.5
79.05486	50.6
79.93877	1.9
81.03410	100.0
81.03892	4.9
81.07049	69.7
83.04974	41.7
83.08607	25.0
85.02893	18.2
85.06558	3.8
86.09690	4.4
86.52144	2.1
87.04461	70.8
88.04829	4.9
89.06032	3.6
91.05469	43.5
93.07035	52.4
95.04961	27.7
95.08598	48.2
96.36989	2.1
97.02077	1.5
97.02287	2.8
97.02876	23.6
97.06516	9.6
97.10145	7.3
98.16540	2.2
98.20712	2.6
99.04454	8.1
99.08083	4.8
103.05466	2.3
105.07015	36.9
105.07638	2.8
107.04943	8.9
107.08593	30.3
109.02877	16.3
109.06519	8.1
109.10145	22.8
111.04436	22.3
111.08076	13.7
111.08727	1.9
113.05982	2.4
117.07000	13.1
119.04931	2.4
119.08578	29.4
121.06513	5.8
121.10146	27.6
123.04393	2.1
123.08070	5.0
123.11694	12.3
125.09638	4.4
127.03916	12.0
129.05487	10.2
129.06984	12.3
131.07080	2.1
131.08545	24.7
133.06516	3.6
133.10117	21.2
134.24818	2.2
135.08113	2.3
135.11688	19.7
137.09612	2.2
137.13206	3.6
141.07039	2.3
142.07793	3.0
143.08577	7.7
145.06451	3.2
145.10088	20.7
147.08063	8.1
147.11690	22.9
149.09641	6.5
149.13261	6.9
153.12740	8.2
155.08537	4.6
157.10091	15.4
159.08038	3.6
159.11684	10.6
161.13239	6.1
163.11169	11.1
165.12776	6.3
169.10121	4.1
171.11665	7.4
173.09590	3.6
173.13274	6.8
175.11169	14.1
175.12456	2.2
175.14937	2.3
177.12733	3.7
181.10202	1.7
181.10777	2.1
181.12204	14.3
183.11700	3.3
184.07329	10.0
185.07700	2.6
185.13231	3.2
187.14786	2.6
191.10713	7.2
193.12224	39.8
197.13187	4.6
209.11700	5.1
209.13411	2.6
211.13269	58.5
211.15154	4.3
227.12683	18.8
229.14249	6.7
233.19011	2.8
259.20499	2.9
261.22128	9.2
267.16058	10.1
273.22159	2.3
277.21619	8.3
278.21838	4.2
283.15414	12.9
285.17010	17.7
301.16623	2.9
301.21475	2.4
303.23148	5.1
317.24933	2.8
327.23056	2.6
335.25821	18.3
337.27304	13.2
341.24658	2.3
345.24500	2.2
351.23059	3.7
353.16272	2.6
355.17621	3.2
369.24216	8.0
387.25180	6.6
405.26358	2.8
427.19641	6.7
429.21146	7.5
435.32324	2.1
443.27975	5.0
452.97095	2.2
461.28799	4.9
479.30316	3.8
527.37482	10.1
543.35333	3.1
545.38177	29.5
563.39288	2.4
653.40173	9.2
671.40924	5.3
689.42816	19.0
707.30206	2.8
707.44781	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.0
55.01862	10.6
55.05507	31.2
57.03444	12.6
62.46231	2.3
67.05496	65.4
69.03427	19.6
69.07055	22.9
71.04980	9.0
73.02885	2.9
79.05489	48.1
81.03410	100.0
81.07050	76.7
83.04973	35.0
83.08616	22.5
85.02895	21.3
85.06523	3.0
91.05478	42.5
93.07034	50.5
95.04969	23.4
95.08598	56.8
97.02876	21.6
97.06542	15.3
97.10173	6.2
98.21545	7.0
99.04424	9.4
99.08112	3.2
105.07024	33.9
107.04939	9.9
107.08585	24.9
109.02889	14.3
109.06515	7.1
109.10145	23.7
111.04433	22.5
111.08083	11.3
117.07022	12.7
119.08564	30.1
121.10126	31.1
123.08098	5.2
123.11723	7.9
125.05962	3.3
125.09637	4.1
127.03924	10.8
129.05513	13.1
129.07013	13.4
131.04884	6.0
131.08559	24.1
133.06529	5.2
133.10106	21.2
135.08044	3.1
135.11710	14.8
137.13213	3.7
141.06972	3.9
143.08536	9.5
145.06442	3.1
145.10124	16.4
147.08035	7.4
147.11702	18.7
147.85141	2.6
149.09601	8.2
149.13261	6.3
153.12723	4.8
155.08519	4.4
157.10124	14.4
159.08112	2.9
159.11659	8.7
161.13263	5.8
163.11186	11.9
163.14914	3.0
165.12764	5.4
169.10066	4.3
171.11682	3.7
173.13280	7.4
175.11214	11.9
175.14795	3.8
181.12273	10.8
185.13274	5.7
187.14796	3.6
191.10672	12.2
193.12244	32.0
197.13222	3.8
209.11681	3.7
211.13290	37.5
227.12697	20.3
230.93669	4.0
230.95738	3.6
234.30917	2.8
243.21046	4.2
243.86855	3.1
261.22107	6.7
267.15878	15.7
283.15393	7.1
285.17023	17.1
303.23093	4.0
317.24435	3.4
335.25854	21.9
337.27347	13.6
351.22958	3.9
369.24222	8.2
405.26028	3.4
427.19754	6.8
429.21191	8.0
443.27579	3.1
461.28757	5.3
527.37299	12.7
545.38464	33.9
653.40320	9.0
671.41321	4.0
689.42572	15.6
707.43042	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	707.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.6
53.55259	1.2
55.01866	9.1
55.05249	2.4
55.05505	31.6
57.03434	15.2
57.07070	2.6
61.02912	3.4
64.90038	1.3
65.03924	4.8
67.05497	78.7
68.05813	2.0
69.03419	22.3
69.07067	20.8
71.01342	1.7
71.04983	11.8
71.08656	1.4
71.33176	2.9
73.02898	2.4
73.71674	1.7
79.05032	2.6
79.05486	55.8
81.03410	100.0
81.07048	89.6
82.03737	1.6
82.07402	2.4
83.04975	49.3
83.08614	25.2
85.02897	20.9
85.06535	4.2
87.04470	2.2
91.05473	51.9
92.05787	2.4
93.07037	60.1
94.07336	2.8
95.04960	27.6
95.08598	48.7
96.08932	1.8
97.02884	23.9
97.06512	10.3
97.10169	9.0
99.04430	6.7
99.08094	3.1
101.02319	1.6
103.05463	2.6
105.07018	38.6
107.04974	8.3
107.08588	33.6
109.02855	12.3
109.06515	8.8
109.10137	22.1
111.04435	22.8
111.08064	14.9
113.06013	1.9
115.05447	2.0
117.07010	15.4
119.04961	2.3
119.08573	33.5
121.06490	4.4
121.10134	29.5
123.04455	2.4
123.08008	5.3
123.11691	9.1
125.06014	1.4
125.09644	6.0
127.03902	15.5
128.06163	2.4
129.05481	13.8
129.06990	14.8
131.04936	1.8
131.08546	26.4
133.06479	3.2
133.09203	1.2
133.10120	25.9
133.11102	0.9
134.10379	1.8
135.08075	3.8
135.11687	18.7
137.09604	2.9
137.13220	2.5
141.06969	2.1
142.07791	3.5
143.08553	5.9
145.06499	3.3
145.10106	18.5
147.08054	5.9
147.11670	23.0
148.11984	1.7
149.09598	7.4
149.13243	7.3
153.09056	2.1
153.12727	5.7
155.08528	4.7
157.06477	2.2
157.10106	14.9
159.11693	8.4
161.05919	1.6
161.09674	1.8
161.13229	4.5
163.11159	12.0
163.14798	2.4
165.12674	4.0
169.10115	4.1
171.08061	1.4
171.11681	5.6
173.04477	2.2
173.09602	2.4
173.13261	5.4
175.11163	11.6
175.14723	2.0
177.12743	2.2
181.12189	7.2
183.11665	2.8
185.09618	2.2
185.13203	4.3
187.11105	1.6
187.14810	4.1
189.11157	1.5
189.12724	2.8
191.10628	9.4
193.12222	41.0
195.11693	2.1
195.13872	1.6
197.13329	2.9
199.11156	1.8
199.14822	2.2
207.13742	1.3
209.11699	2.1
211.13260	65.3
215.97305	1.3
223.14827	2.1
227.12718	15.9
229.14320	5.2
233.15349	1.9
243.21048	2.9
259.20755	2.3
261.22171	10.8
263.23636	2.1
267.15778	11.6
269.17459	4.5
275.20215	2.1
277.21552	5.6
280.62323	1.4
283.15503	8.5
285.16824	17.4
301.25171	2.0
303.22971	1.5
315.23431	1.6
317.24802	2.4
327.22900	1.6
335.25745	36.7
337.16327	2.7
337.27484	12.0
341.24640	2.4
353.15845	2.9
355.17636	2.4
369.24423	8.3
387.25284	3.4
405.26230	1.9
427.19574	2.2
429.20975	7.6
443.27414	1.9
453.33670	3.2
461.28894	3.3
479.29861	2.5
527.37073	9.0
543.36462	2.0
545.38354	36.2
561.37311	1.8
563.39679	2.9
577.14514	1.5
653.39355	2.4
671.41119	4.6
689.42316	16.6
707.43903	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39359	0.3
68.02058	0.3
69.03400	0.4
71.36678	0.8
74.61820	0.3
77.03684	0.3
81.03407	0.5
82.99887	1.2
92.00371	0.4
94.99874	0.5
100.50885	0.3
101.00855	3.1
109.02849	0.7
113.00852	0.5
119.01911	12.3
119.02773	0.7
122.01350	1.0
126.84395	0.3
127.02399	0.8
131.01891	7.5
131.51929	0.9
132.01825	0.4
137.01862	2.7
137.02945	1.4
137.51917	0.6
139.02347	0.5
142.03511	0.7
143.01878	15.6
143.51962	0.7
144.01930	0.5
145.03461	7.2
147.01360	0.9
147.05016	0.5
149.01872	1.1
149.02931	0.4
152.02426	2.0
152.52525	0.5
155.01878	8.0
157.03436	3.8
158.02429	1.0
158.03606	0.4
161.02956	18.8
161.28740	0.3
162.02983	0.6
163.04509	1.1
164.02478	0.8
167.01852	5.9
169.03435	2.2
171.05029	2.4
173.02954	17.8
173.52992	0.8
174.02991	0.5
175.04521	1.2
177.02460	0.4
179.01773	2.4
182.03465	0.7
184.04573	0.8
185.02945	34.7
186.03110	1.6
187.04503	4.3
191.04126	0.4
194.03540	0.9
194.53403	0.4
196.04625	0.5
197.02928	14.9
198.03307	0.5
199.04605	0.9
203.03970	13.3
203.54091	0.9
204.04108	0.6
208.04532	1.0
209.02936	1.2
212.04457	0.4
215.04010	9.9
216.04112	0.5
220.04457	0.3
221.05046	1.5
224.04532	1.1
227.04001	9.0
233.05049	0.6
239.04124	1.0
245.05052	100.0
246.05240	5.3
254.05482	0.4
257.05054	6.0
263.06113	13.2
264.06226	0.8
275.06088	11.7
276.06439	0.6
284.06671	2.4
284.56775	0.6
286.07825	0.8
292.96738	0.5
293.07166	2.9
305.07169	10.3
306.07324	0.6
317.07065	0.7
335.08270	3.2
340.95355	0.4
347.08212	0.9
365.09259	40.9
365.59286	1.2
366.09451	2.5
383.10257	3.1
406.11993	0.4
407.10437	0.9
425.11395	33.1
426.11493	1.9
437.11462	1.9
455.12289	1.8
485.13727	0.8
604.67444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69205	0.4
52.93803	0.4
55.93518	1.4
55.94453	0.4
56.94296	1.1
58.77937	0.4
65.03919	0.5
65.42579	0.4
69.03407	1.2
69.48058	0.4
69.76649	1.2
69.77078	1.6
70.95847	1.1
72.93412	0.5
72.93777	5.6
74.95315	0.4
81.03391	1.6
85.02893	1.0
88.96888	0.7
90.94806	4.2
91.05465	4.4
97.02869	3.3
102.94836	0.7
108.95858	1.6
114.94871	0.4
115.05424	0.4
118.47226	0.4
119.04928	14.3
128.96339	5.8
130.97934	0.4
131.04910	1.6
132.95831	4.9
139.03867	0.7
140.96324	0.8
142.97922	0.6
144.95798	3.9
146.97363	4.0
147.04390	59.7
148.04778	0.8
150.96875	3.1
150.97961	0.4
152.96277	3.9
156.95811	0.8
158.97382	7.0
162.96889	5.4
168.95801	4.4
170.97380	4.5
171.04373	0.9
174.96863	0.8
175.44829	0.4
176.98456	4.3
178.97859	1.6
184.95235	0.4
186.96898	3.9
188.98436	1.0
189.05476	3.7
190.97879	1.3
192.99467	2.0
194.97252	0.5
196.98958	1.2
198.96831	2.8
200.96404	0.6
202.96155	0.6
202.97835	3.6
204.97862	0.6
206.97372	1.9
208.98907	1.0
211.00500	0.6
216.97913	4.8
218.97365	9.7
220.98932	7.1
222.96786	0.9
224.98384	1.9
234.96942	0.8
234.98964	16.4
235.97603	0.8
236.98431	10.9
238.99953	0.6
244.98973	0.5
246.96748	2.0
250.99902	0.8
252.97812	1.0
253.00023	2.3
256.99020	0.8
258.00598	1.3
259.00406	1.0
259.97678	0.6
260.00201	0.6
260.98416	19.6
261.98804	0.4
262.99921	0.5
264.97897	4.1
271.00500	7.4
272.98438	6.8
275.00061	0.8
278.96735	0.7
278.99503	7.7
286.96964	0.7
286.99979	7.8
288.97992	0.6
289.01492	1.2
290.99496	5.2
302.01114	1.0
302.99350	2.1
305.01031	2.8
314.99435	4.0
321.00562	4.6
323.02246	0.5
328.02512	0.4
333.00464	6.6
337.03836	0.7
345.00531	3.8
356.01883	1.2
363.01572	21.5
364.02063	0.5
365.05392	1.2
380.03070	1.0
381.02634	100.0
382.02975	2.0
399.03738	3.5
404.04385	0.5
422.05316	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	706.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46829	0.1
55.05494	0.1
56.05027	0.6
57.07064	0.2
58.06613	0.5
58.52193	0.1
58.79224	0.1
59.07378	0.2
60.08158	6.2
65.46943	0.1
67.05503	0.4
69.07034	0.1
71.07363	3.4
71.08628	0.1
79.05478	0.3
81.03391	0.3
81.07047	0.4
83.04980	0.2
86.09695	30.9
87.04470	0.6
87.10033	0.1
91.05466	0.4
93.07026	0.2
95.04948	0.2
95.08605	0.2
97.06505	0.1
98.82689	0.1
98.98449	2.8
104.10728	2.6
105.07016	0.1
109.10121	0.1
119.08578	0.2
119.49621	0.1
121.10086	0.2
124.99989	20.4
127.08748	0.1
140.01167	0.1
143.01068	0.2
164.87585	0.1
166.02673	0.1
184.07320	100.0
185.07726	0.5
193.12192	0.1
204.70540	0.1
211.13167	0.1
364.56677	0.1
496.33749	0.2
539.81122	0.1
706.46503	5.2
707.46881	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	706.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04153	0.6
54.73533	0.6
55.01861	2.9
55.05505	10.2
57.03170	0.9
57.03431	13.1
61.02902	0.7
65.03924	1.0
67.05151	1.0
67.05498	18.0
69.03421	3.5
69.07061	5.4
71.04974	2.9
71.70860	1.3
79.05029	1.2
79.05482	19.0
81.03410	78.4
81.07045	20.5
83.04971	8.3
83.08610	21.0
85.02895	11.2
85.06526	1.9
91.05468	26.4
93.07037	13.2
95.04960	26.8
95.08599	8.0
97.02891	4.0
97.06524	2.8
97.10165	4.8
105.07021	19.5
107.04949	7.7
107.08587	7.3
109.02967	0.8
109.06506	3.5
109.10137	4.0
111.04411	2.1
111.08081	7.4
113.06001	1.4
115.05432	1.1
117.06998	3.1
119.04935	1.4
119.08570	15.8
121.06500	3.6
121.10133	7.8
123.04451	1.1
123.08051	2.2
123.11709	1.5
125.09640	3.2
128.06291	1.0
129.06999	11.7
131.04909	1.2
131.08563	10.6
133.06435	3.8
133.10126	8.6
135.08006	1.6
135.11632	1.1
137.05975	0.9
137.09593	1.6
139.03908	2.3
142.07770	2.4
143.08563	1.2
145.06464	4.3
145.10112	2.7
147.08046	4.4
147.11684	12.1
149.09607	5.9
155.08481	1.1
157.06477	0.8
157.10100	12.3
159.07957	1.0
163.11179	1.9
165.12744	2.3
169.10121	1.1
171.08046	1.4
171.11633	1.2
173.09564	1.2
175.11172	12.5
179.22603	0.7
185.13130	0.8
189.11180	1.5
191.10539	0.9
193.12227	31.0
195.11667	1.4
197.13239	0.9
211.13264	18.7
213.12813	0.7
223.13264	0.7
225.12732	0.9
227.12682	1.3
229.14339	1.8
231.13951	0.8
233.15491	0.7
237.12689	1.0
249.14818	2.7
255.13806	1.5
267.15891	100.0
268.16327	1.4
273.14731	3.4
278.49573	0.6
285.13940	1.2
285.16953	19.7
320.68729	0.7
323.19766	0.7
339.23227	0.9
341.21011	1.2
349.21552	3.4
367.22650	9.3
385.23666	12.8
403.24731	2.6
405.23975	1.0
415.24475	1.3
433.25809	12.8
441.26321	5.1
459.27390	61.5
460.27646	1.8
477.28439	43.6
478.29065	1.4
501.27698	0.8
509.27353	0.9
519.30200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47936	1.2
53.03939	11.6
53.38087	1.2
55.01866	11.0
55.05506	27.2
57.03433	13.3
57.07065	2.1
60.70376	1.3
61.02915	2.6
65.03923	5.0
67.05499	79.2
69.03426	23.8
69.07063	31.4
70.06794	3.5
70.07201	4.4
71.04983	10.9
71.08610	2.2
73.02905	3.3
79.05487	65.5
81.03410	71.0
81.07049	100.0
82.03733	1.9
82.07378	1.6
83.04967	17.1
83.08605	17.0
83.77820	1.4
85.02890	12.2
85.06532	3.7
87.04455	1.9
91.05470	54.0
93.07035	63.7
95.04962	20.3
95.08591	41.2
97.02876	18.7
97.06516	15.4
97.10172	4.5
98.21378	2.3
99.04462	9.1
99.08059	3.4
101.02367	2.2
103.05441	4.2
105.07014	47.8
106.22986	1.3
107.04950	9.6
107.08584	36.4
109.02872	14.1
109.06513	10.7
109.10146	15.2
110.50394	1.4
111.04430	6.5
111.08077	8.1
115.05417	3.8
117.07009	20.7
119.04935	1.9
119.08570	34.2
121.06493	7.1
121.10133	27.8
123.04421	2.8
123.08060	6.8
123.11685	7.8
125.05994	2.5
125.09618	5.3
127.03901	15.9
128.06187	2.9
129.05492	3.3
129.06995	12.3
131.04907	5.4
131.08553	31.0
133.06479	3.8
133.10118	29.8
135.08040	6.6
135.11696	12.1
137.05991	1.6
137.09619	4.4
137.67079	1.3
139.11139	1.9
141.06976	3.4
142.07823	2.4
143.08554	10.5
145.04938	1.4
145.06473	3.8
145.10103	19.6
147.04372	1.7
147.08046	4.1
147.11668	20.8
149.09630	8.6
149.13263	17.0
151.11151	3.1
155.08527	6.6
157.10109	12.0
159.08020	3.8
159.11664	18.0
161.09570	3.1
161.13225	5.5
163.11182	7.1
165.06972	1.8
165.12685	4.2
169.10078	7.0
171.07951	3.1
171.11685	6.1
173.04436	19.2
173.09641	3.3
173.13271	8.1
174.13408	1.5
175.11201	4.3
177.12732	7.5
181.10127	5.0
181.12094	1.6
183.11678	4.1
184.07285	2.4
185.13239	5.3
187.11246	2.0
189.12781	1.9
191.10603	1.8
193.12242	3.2
195.11705	4.2
195.13811	9.9
197.13339	3.0
199.05971	6.3
205.10115	2.0
205.12250	1.4
209.11588	2.6
209.13374	1.6
211.13179	3.0
211.14926	2.3
213.14708	1.9
215.14287	1.5
217.16078	1.7
219.13962	1.7
219.17424	1.6
227.12579	2.0
229.14317	1.9
229.19467	2.3
233.19197	1.6
239.18086	2.8
247.20633	5.2
257.18930	8.4
259.20575	2.5
267.15897	6.7
269.17480	24.7
275.20044	41.9
276.20490	2.2
285.17090	2.0
293.21082	6.4
331.22864	2.4
333.24054	2.2
339.18216	3.1
349.23761	12.7
351.25140	1.6
362.63815	1.5
376.74188	1.5
383.22177	3.0
385.23218	1.7
395.20602	2.8
401.23166	1.7
413.21667	5.1
419.24094	2.5
451.31918	3.6
463.30573	4.0
469.32974	3.4
515.37366	3.6
525.35681	8.5
543.36761	38.8
544.37354	2.5
607.34442	6.2
651.38214	2.3
669.39807	2.7
687.41083	12.7
705.41998	19.2
712.05365	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01873	4.8
55.02096	0.7
55.05508	15.5
57.03435	5.8
57.07067	1.9
61.02924	12.5
65.03939	1.6
67.05501	26.1
67.82443	0.9
69.03427	10.0
69.07056	8.2
71.01344	1.2
71.04992	4.0
73.02919	5.4
78.68772	1.0
79.05489	18.7
81.03413	18.6
81.07050	24.9
83.04977	6.2
83.08620	8.5
85.02895	12.4
85.06558	1.9
87.04486	1.0
88.07626	0.9
91.03964	4.7
91.05470	21.0
93.07040	19.9
95.04957	7.2
95.08604	12.8
97.02885	9.9
97.06525	3.9
97.10156	7.9
99.04449	1.7
99.08089	1.3
101.02356	1.7
103.05460	1.2
105.07023	18.2
107.04954	3.4
107.08585	14.1
109.02880	3.7
109.06520	3.0
109.10149	7.9
111.04445	3.6
111.08076	2.5
115.05455	1.8
115.78126	0.8
117.07019	10.9
117.39303	0.9
119.08571	13.3
121.06517	2.6
121.10133	7.3
123.08080	2.6
123.11684	2.3
125.09628	6.4
127.03918	3.5
128.06233	2.0
129.05450	1.0
129.06985	9.2
130.07791	1.3
131.08565	12.6
133.06483	1.8
133.10114	9.9
135.08043	2.7
135.11696	4.2
137.09586	1.3
141.07016	2.6
142.07759	2.0
143.08551	7.5
145.06497	2.9
145.10106	11.4
147.08057	2.6
147.11690	6.5
149.09621	3.4
149.13275	2.8
155.08537	4.3
157.06543	1.1
157.10118	8.4
159.08087	2.6
159.11668	8.1
161.09633	1.4
161.13268	3.3
163.11180	2.8
165.12718	1.1
166.07942	0.9
167.08556	2.6
169.10107	5.4
171.08060	2.0
171.11674	7.0
173.04378	1.1
173.09625	2.6
173.11917	1.3
173.13216	4.6
175.11215	2.7
175.14888	2.3
177.12695	0.8
179.08583	0.9
181.10139	3.6
183.08057	1.0
183.11671	5.0
185.09630	2.2
185.13228	3.2
187.11292	1.9
187.14819	2.3
189.11237	1.7
191.10641	1.6
193.10202	1.6
193.12253	3.8
195.11671	3.1
197.09612	1.1
197.13316	3.4
199.11159	1.0
199.14873	2.3
201.12802	1.8
203.14264	1.1
205.10132	1.0
209.09671	0.9
209.13255	2.5
211.11385	1.8
211.13075	5.0
211.14911	2.1
213.12791	1.7
221.09781	0.8
223.14830	1.4
225.16342	1.3
227.12791	3.4
229.14342	2.2
235.14900	0.9
241.19591	2.6
257.19031	2.0
259.20547	3.7
267.15967	2.3
269.17538	2.4
275.20074	3.8
283.20517	1.8
285.16895	1.5
297.22162	1.7
299.20511	1.1
299.23740	3.3
301.21585	1.7
311.19904	1.1
311.23315	1.0
325.21671	1.2
327.23117	1.0
333.24207	2.6
339.23260	1.2
349.24344	1.3
353.24765	1.0
357.24146	1.2
363.23032	1.3
367.22665	1.6
403.24423	1.0
415.30325	1.4
421.25989	1.9
423.32446	1.2
433.31033	4.1
435.27499	1.8
451.32101	6.7
469.33350	3.9
487.34537	1.2
525.35699	16.0
541.35217	1.1
543.36792	100.0
544.36487	4.1
561.38312	1.5
567.35938	0.9
585.37341	1.2
651.38849	2.7
669.39746	3.2
687.40686	5.2
704.36432	0.9
705.32190	2.6
705.42511	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	704.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43231	1.5
55.05502	7.2
57.03439	11.1
57.06844	1.5
57.07075	21.1
61.02914	2.8
67.05497	30.8
69.03426	1.3
69.07074	11.7
71.08627	16.7
79.05060	2.6
79.05482	14.5
81.06613	2.8
81.07054	37.7
83.04982	2.7
83.08618	11.7
85.02901	2.3
85.06501	1.9
85.10186	9.3
89.06011	1.6
91.05466	6.3
93.07042	26.7
95.04953	1.6
95.08599	19.0
97.02856	1.5
97.06522	5.1
97.10152	3.6
99.61514	1.5
105.04495	1.5
105.07043	1.5
105.13073	1.3
107.08590	15.6
109.10158	6.0
111.08094	2.9
117.07008	3.9
121.10158	10.1
123.11719	4.1
125.09563	1.6
131.08533	3.1
133.10100	5.0
135.11650	3.5
149.13235	13.8
159.11705	5.7
160.04344	1.4
177.12683	2.4
184.07324	1.5
195.13808	6.6
229.61780	1.9
239.23738	2.2
269.17468	88.0
270.17813	2.5
313.27350	63.9
507.40460	100.0
508.40674	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	704.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.5
57.03431	6.8
57.07077	17.7
58.84196	0.8
61.02914	2.5
67.05499	23.7
69.03425	1.0
69.06734	1.2
69.07062	9.5
71.04996	2.2
71.08630	15.4
73.02927	1.3
79.05177	0.8
79.05492	9.6
80.62093	1.0
81.03423	1.7
81.07050	31.1
83.04968	1.3
83.08611	9.4
85.02892	3.2
85.06519	1.0
85.10159	8.0
85.63972	0.8
91.03928	1.2
91.05463	6.4
93.07039	13.9
95.04978	1.2
95.08604	14.3
97.02877	1.7
97.06519	3.0
97.10160	2.3
98.20617	1.3
103.07626	1.2
105.07017	2.3
107.08592	9.1
107.09272	1.4
109.10169	5.7
111.08066	1.6
117.07006	3.5
121.10142	4.8
123.11707	3.6
127.03963	1.0
131.08537	2.8
133.10103	6.1
133.49152	0.9
135.11703	2.6
149.13239	5.5
159.11679	3.2
177.12733	2.0
184.07372	1.4
195.13794	5.0
213.14803	1.2
239.23683	1.8
257.24762	1.4
269.17471	56.1
270.17700	1.7
282.09439	1.0
313.27344	69.2
314.27530	1.6
492.63525	1.1
507.40445	100.0
508.40616	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	703.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.8
53.03939	9.5
55.01860	14.4
55.05248	2.2
55.05511	41.6
56.14946	1.6
57.03435	11.4
59.04999	2.1
60.08135	2.1
62.63060	1.7
63.42648	2.0
65.03931	7.5
67.05500	86.0
68.05857	2.0
69.03429	34.7
69.07066	40.3
71.04987	13.9
71.19119	4.4
73.02918	1.8
74.66364	1.6
79.05489	69.1
81.03414	74.9
81.07051	100.0
83.04966	19.4
83.08611	22.9
85.02898	11.5
85.06532	3.3
91.04874	2.1
91.05048	1.0
91.05471	62.9
93.07041	64.6
95.01351	2.9
95.04961	25.7
95.08594	35.9
97.02885	20.6
97.06522	13.4
97.10175	18.6
99.04446	7.6
99.08091	2.1
100.17119	1.9
103.05439	2.6
105.04513	2.1
105.07022	45.0
107.04959	21.6
107.08588	37.4
109.02862	23.4
109.06518	13.2
109.10145	20.2
111.04433	11.6
111.08083	6.5
113.02448	1.7
115.05470	4.6
117.07017	29.3
119.04971	2.2
119.08575	28.4
121.06510	11.2
121.10140	17.7
123.04435	4.0
123.08064	7.7
123.11706	8.0
125.09602	17.1
125.75835	2.0
127.03890	13.4
128.06239	4.2
129.07004	16.2
130.07764	3.7
131.04919	4.7
131.08562	30.3
133.06465	9.6
133.10110	21.3
135.08035	12.3
135.11690	11.9
137.05983	2.1
137.09625	5.0
139.03809	2.2
141.07030	5.6
142.07787	2.5
143.08517	11.5
145.06497	5.7
145.10112	17.1
147.04434	2.4
147.08026	11.2
147.11665	13.6
149.05916	2.4
149.09654	6.1
149.13240	14.2
151.11200	5.5
153.09119	2.4
155.08563	5.7
157.06499	2.4
157.10127	9.3
159.08107	6.1
159.11687	14.7
161.06026	2.0
161.09644	4.7
161.13278	4.2
163.11203	3.8
165.06990	2.8
165.09087	2.5
165.12709	3.6
169.10146	7.3
171.11703	7.9
173.04494	8.2
173.05913	2.5
173.09648	4.3
173.13266	3.5
175.11208	5.9
177.12730	7.7
181.10091	3.3
181.48885	1.8
183.07973	2.2
183.11710	3.4
185.09663	3.3
185.13281	4.8
189.08885	1.9
189.11162	10.8
193.12253	3.9
195.12166	2.2
195.13757	10.7
197.13284	2.4
199.11188	3.6
199.14859	2.4
201.12798	3.1
203.10594	2.0
207.11853	2.1
207.13692	2.6
223.13281	16.1
227.12837	7.6
227.17909	2.5
233.15454	3.3
245.19046	2.8
249.14946	4.7
255.17635	4.0
259.20447	2.8
261.11261	2.4
263.20123	3.0
267.15903	3.7
269.17603	6.2
273.18506	25.0
275.16650	2.0
275.20261	3.4
285.14822	1.8
291.19525	99.1
292.19931	5.4
321.17050	5.2
329.21420	2.8
339.17892	9.7
347.22311	6.4
353.20721	2.0
365.23376	7.3
367.17618	2.9
395.20685	10.2
417.22916	2.6
435.23911	3.4
527.37378	3.1
541.35193	8.6
559.36548	10.1
591.32275	1.9
611.34589	2.0
629.37061	2.5
667.38300	3.1
685.39264	12.5
703.40491	99.9
704.40686	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	703.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51962	4.8
53.03928	19.2
55.01855	12.3
55.05508	43.3
57.03423	17.4
57.07063	7.8
61.68328	4.5
65.03936	9.6
67.05140	6.8
67.05495	92.5
69.03414	28.8
69.07053	35.0
71.04976	9.6
71.72627	6.6
79.05486	65.9
81.03411	77.7
81.07048	81.2
83.04964	16.8
83.08607	22.9
85.02876	15.6
85.06525	7.4
91.04939	5.9
91.05472	79.6
93.07034	63.8
95.04955	28.9
95.08603	55.5
97.02869	19.9
97.06512	18.4
97.10162	16.1
99.04417	9.0
105.07026	57.2
107.04932	18.8
107.08590	43.4
109.02855	19.7
109.06466	10.5
109.10172	25.1
109.10796	5.1
111.04425	12.5
111.08041	7.6
116.06232	4.9
117.06993	26.5
119.08564	32.3
121.06496	14.6
121.10122	20.8
123.08027	5.9
123.11693	6.4
123.27863	4.6
125.09615	9.6
127.03865	11.7
129.06958	19.0
131.04910	5.2
131.08572	36.6
133.06488	7.4
133.10120	35.6
135.08040	10.4
135.11626	6.8
137.09622	8.2
143.08517	22.2
145.06421	8.5
145.10077	27.0
147.07980	8.9
147.11661	17.1
149.09573	6.1
149.13214	8.6
151.11143	9.3
155.08504	11.3
157.06451	6.2
157.10100	18.7
159.08034	4.8
159.11638	22.2
161.09598	6.6
161.13191	6.9
163.11185	5.9
167.08640	5.0
169.10126	9.8
171.11656	15.0
173.04448	5.0
173.13281	8.0
175.11203	8.9
177.12732	5.9
183.11624	9.4
185.13344	6.4
189.11234	10.4
193.12260	4.8
195.13849	7.0
197.13283	6.3
208.09236	5.3
218.22388	4.3
223.13199	11.1
227.12622	5.6
253.14444	5.0
267.15881	9.2
269.17471	5.7
273.15680	4.4
273.18460	29.1
275.19934	6.1
291.19528	75.8
303.15875	5.0
333.13144	11.0
347.21906	5.9
365.23190	7.2
395.20523	10.3
435.32474	6.3
453.33212	6.5
527.36987	19.6
528.38177	8.2
541.35052	14.7
559.35999	13.5
593.34662	6.9
611.35077	7.6
647.29193	6.3
667.38318	6.3
685.39441	22.1
703.28918	6.9
703.40326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
55.05481	0.8
57.06802	0.5
57.07069	6.9
58.06598	2.2
60.08152	0.6
65.03934	4.3
67.05490	1.2
68.04977	0.5
69.03412	0.7
69.07072	0.6
70.06586	19.3
70.38353	2.0
71.08637	2.3
72.08154	0.7
73.02894	0.6
79.05476	1.0
81.03397	1.0
81.07037	1.2
84.08125	0.9
85.02872	0.5
85.10173	1.0
86.09692	0.8
88.07624	19.8
91.05462	1.0
93.07037	0.7
95.04934	0.9
95.08586	0.6
97.02891	0.6
98.20759	0.7
102.08514	0.8
102.09177	15.7
105.03393	0.6
105.07035	0.6
107.08587	0.7
109.10113	0.6
110.11127	0.4
119.08595	0.6
121.02863	2.3
131.04910	1.0
132.10188	1.1
133.10081	0.5
139.03876	3.3
146.11749	1.8
147.04381	1.0
149.02338	68.0
149.03429	5.4
153.06859	0.5
175.03906	1.8
177.05476	0.6
193.04953	31.5
219.06514	1.3
225.05505	0.7
237.07578	4.2
256.26340	54.1
257.26630	1.0
263.09329	0.5
269.04382	0.9
271.17218	0.5
297.03937	1.2
300.28946	7.8
313.06967	0.9
328.82605	0.5
341.06503	4.3
359.07455	2.8
385.09167	9.9
386.09689	0.5
387.10217	0.6
403.10239	12.4
429.11789	19.6
430.12003	0.6
442.53146	0.6
473.14438	16.4
640.34723	1.8
684.37122	1.5
702.38385	100.0
703.38721	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	701.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33126	4.0
50.36283	4.6
50.54723	4.1
53.03931	5.8
55.05506	20.5
55.59930	4.8
57.03432	7.9
57.07069	49.9
65.40475	3.7
67.05499	57.8
69.03413	9.3
69.07054	15.2
69.59150	19.8
69.59581	19.2
71.04977	19.9
71.08630	33.8
71.53950	4.6
74.11231	4.0
79.05470	12.1
81.03420	31.5
81.06564	5.1
81.07045	100.0
83.04974	30.4
83.08599	20.2
85.02909	4.8
85.06531	6.1
85.10166	15.4
86.67737	4.3
87.04402	4.7
91.05452	18.4
93.07037	14.6
95.05016	3.8
95.08604	29.1
97.02883	5.5
97.10183	8.4
105.07007	10.3
107.08602	7.9
109.10147	24.3
111.04424	6.8
117.06947	5.0
123.11691	21.9
129.05464	19.6
131.98950	5.1
133.10115	10.7
134.28015	4.1
134.89200	5.6
147.11665	6.2
151.11156	8.9
154.58023	4.4
159.11621	4.6
173.04402	7.8
184.07323	10.7
187.13307	13.6
193.12326	6.6
204.83656	4.7
225.14891	6.7
232.57481	4.4
239.23732	5.6
243.15854	4.5
269.17294	6.2
280.69263	4.8
313.27283	43.3
445.24243	10.7
466.50555	4.4
481.38959	81.7
495.40591	8.6
507.40137	17.2
539.43146	61.7
540.42828	5.0
593.14886	5.3
683.47705	9.9
701.45746	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.4
55.01872	3.7
55.05510	22.3
57.03187	3.1
57.03438	18.2
57.06806	3.9
57.07071	62.0
59.38207	3.5
67.05502	36.8
69.03406	8.2
69.07066	23.7
69.58630	28.1
71.01337	5.8
71.08630	40.8
79.05486	23.5
81.03411	73.6
81.07056	46.2
83.04984	15.9
83.08611	33.5
85.02893	23.7
85.06533	4.1
85.10184	22.0
91.05468	24.9
93.07031	19.5
95.01310	10.3
95.04955	31.8
95.08597	34.7
97.02885	10.7
97.06538	4.8
97.10160	9.1
105.07031	21.2
107.04945	5.3
107.08592	8.7
109.06507	5.0
109.10145	13.3
111.04455	5.6
111.08074	12.4
113.02396	3.5
117.06989	3.1
119.08552	20.1
121.06507	3.3
121.10117	12.8
123.00780	3.0
123.08060	3.2
123.11665	6.6
125.02312	4.9
125.09622	4.2
129.06992	14.3
131.08565	12.1
133.06493	3.9
133.10114	12.2
141.01813	19.8
145.10130	3.0
147.11682	19.6
149.09563	6.2
149.13199	3.2
157.10155	13.9
163.11169	3.7
165.12660	5.5
171.11563	3.7
175.11208	19.8
175.51953	3.1
181.12073	4.3
193.12222	58.4
211.13266	62.0
217.45885	3.2
227.12820	7.2
239.23717	12.3
242.62300	2.8
243.05261	3.1
267.15906	44.5
275.02448	3.1
285.16910	15.5
295.74368	3.1
313.27362	100.0
369.15604	3.7
416.96954	3.5
443.19168	8.6
505.38840	33.3
523.39880	85.5
681.41931	4.6
699.43158	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21470	0.3
67.05476	0.4
71.71025	0.4
73.44897	0.2
74.31433	0.3
79.05446	0.4
81.07062	0.4
88.35702	0.3
91.05505	0.3
93.07050	0.4
95.08601	0.4
185.04184	0.5
243.55795	0.3
259.07993	0.5
301.20142	1.0
347.09488	0.8
360.66595	0.4
421.13232	0.3
537.30334	17.7
538.30737	0.6
699.35535	100.0
700.35791	4.3
709.19409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01857	1.0
55.05505	1.4
57.03421	2.1
61.02929	3.3
61.03180	0.6
67.05499	3.8
69.03426	3.0
69.07047	1.1
70.07649	2.6
71.01325	0.6
71.04994	1.5
73.02908	2.3
79.05492	4.2
81.03419	3.9
81.07043	2.8
83.04971	1.2
83.08625	1.1
84.05831	0.4
85.02904	3.9
87.04468	0.6
91.03935	2.5
91.05468	2.7
93.07040	3.7
93.13580	0.4
95.04969	1.2
95.08635	1.3
97.02885	3.1
97.06535	0.8
97.10163	0.7
99.04476	0.9
101.02369	1.5
103.03968	0.8
105.07025	2.3
107.05013	0.6
107.08597	2.2
109.02864	0.6
111.04435	0.8
111.08101	0.6
117.07009	0.5
119.08591	1.6
121.10134	2.0
127.03912	1.3
128.92920	0.5
129.07013	1.2
131.08566	1.5
133.10139	1.2
135.03004	0.5
135.11667	2.6
137.09622	0.6
145.10136	0.6
147.11673	0.9
149.09642	1.0
150.83379	0.6
157.10168	1.0
168.94038	0.6
185.04198	0.7
193.12262	1.3
221.11545	0.7
231.57968	0.4
233.54297	0.5
243.08493	2.1
253.13515	0.7
267.16132	0.6
275.82147	0.5
283.15149	2.5
287.89737	0.5
332.04126	0.5
439.19376	7.5
469.20346	2.1
471.21750	0.5
501.23093	6.4
515.27484	0.5
611.87543	0.5
655.32477	1.2
699.35529	100.0
700.35901	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	698.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.1
55.01856	9.7
55.05507	39.7
55.45324	3.2
57.03418	12.6
57.07061	5.9
65.03916	5.0
67.05164	5.2
67.05501	90.0
69.03437	3.0
69.07063	31.9
70.24905	15.0
71.00761	2.9
71.04986	5.1
71.08625	26.6
79.05490	64.3
81.03410	8.3
81.07053	100.0
83.04975	19.3
83.08596	23.3
85.06537	5.5
91.05475	60.3
93.07041	81.9
95.04956	18.6
95.08604	51.5
97.06507	10.8
97.10165	8.7
99.08081	26.8
100.26805	2.9
105.07020	42.4
107.08596	39.9
109.06488	6.8
109.10134	14.1
111.08067	7.1
113.09601	3.0
114.48669	2.7
115.05474	3.0
117.07037	18.4
118.40155	2.7
119.08595	22.8
121.06522	5.3
121.10123	26.8
123.08006	5.8
123.11700	8.2
125.09612	9.0
128.06285	4.0
129.06975	8.6
131.08557	25.1
133.10123	21.7
135.08112	3.7
135.11650	18.3
139.11153	3.3
139.26994	3.4
143.08524	9.1
145.10129	16.5
147.11630	8.4
149.09688	3.6
149.13225	26.5
151.11163	28.7
157.10086	7.7
159.11665	14.4
161.13251	11.1
163.11145	14.9
165.12726	6.6
171.11668	8.0
173.11722	3.7
175.14847	5.9
177.12738	4.2
179.14314	8.6
185.13237	4.3
189.11188	5.6
189.27826	3.2
195.11891	3.1
195.13771	11.1
227.12834	8.8
231.21033	4.7
241.19519	5.9
251.16441	3.6
259.20560	10.0
263.33005	3.1
269.17456	43.2
277.21613	34.1
351.25320	42.0
431.27496	3.6
445.29440	5.3
447.30859	3.9
453.34070	3.2
463.30508	43.7
527.37158	9.1
531.36230	3.5
545.38306	45.6
563.39008	8.7
627.45349	5.8
699.44720	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	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05280	2.9
55.05505	26.9
57.03428	9.2
57.07066	17.0
57.86412	2.3
61.02927	22.4
64.46057	2.1
67.05160	2.6
67.05499	33.5
68.28227	2.0
69.03426	3.5
69.07063	46.1
71.04984	2.4
71.08633	13.3
73.02898	7.8
73.07793	1.9
75.04475	2.5
78.92847	1.9
79.05490	16.3
81.03443	2.3
81.07053	46.4
83.08614	35.2
85.02891	30.8
85.06567	3.4
85.10179	5.6
91.03947	25.3
91.05458	2.9
93.07047	22.4
95.08604	45.0
97.02879	11.3
97.06503	8.3
97.10155	26.9
107.08569	14.5
109.02867	2.4
109.10141	22.6
111.08078	5.6
111.11705	11.8
115.03878	2.6
120.68793	1.9
121.10140	39.3
123.11687	8.3
125.13301	2.8
127.03892	9.9
135.11676	28.2
136.06116	3.2
139.11194	3.6
144.94220	2.1
145.04936	10.2
149.13269	10.8
151.14827	4.9
153.12756	3.4
163.05972	17.1
163.14832	5.6
163.70157	2.1
177.16423	2.2
182.22600	2.1
191.17961	3.7
224.58981	2.2
247.24208	37.6
265.25247	90.7
266.25729	2.5
283.26309	21.0
339.28912	100.0
340.29007	2.4
357.29959	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3758
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
55.01857	0.6
55.05506	0.8
56.38860	0.3
56.97059	0.3
57.03424	1.3
61.02919	4.1
67.05501	5.6
69.03416	2.1
69.07056	1.7
71.04984	3.9
71.72544	0.3
71.72991	0.3
73.02903	2.9
79.05486	2.0
81.03400	1.5
81.07051	7.1
83.04979	0.9
83.08616	1.1
85.02892	4.1
85.06532	0.7
87.04465	0.3
91.03943	2.0
91.05468	3.0
93.07033	3.7
95.04967	0.7
95.08597	1.7
97.02880	3.5
97.06528	1.0
99.04449	0.8
101.02348	1.5
102.27875	0.3
105.07018	1.1
107.08559	1.8
109.02854	0.9
109.10128	0.9
111.04451	0.6
111.08089	0.9
115.03932	0.4
117.07051	0.7
119.08572	0.4
121.10121	1.5
123.11735	0.8
125.17825	0.3
127.03948	1.6
131.08595	1.2
133.10103	2.0
135.11694	1.0
137.20557	0.3
145.04904	0.4
149.13242	1.7
151.11195	0.8
159.11726	0.9
177.12604	0.4
183.06599	0.5
185.04204	0.7
187.13191	0.4
195.13782	0.6
203.05266	0.4
209.66222	0.3
235.13081	0.8
243.08405	2.7
257.17554	0.6
267.15607	0.8
269.17520	0.4
285.07880	0.8
291.15668	0.4
299.40332	0.3
308.09387	0.3
323.18723	0.3
413.17911	0.7
453.20868	7.2
479.21353	0.4
485.23685	6.3
567.31396	0.6
625.31952	3.6
626.32794	0.4
697.37616	100.0
698.37836	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	697.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83797	0.4
53.03936	0.7
55.01869	1.0
55.05503	2.9
57.03421	2.0
61.02925	4.7
66.22349	0.5
67.05499	3.8
69.03424	2.5
69.07069	1.5
71.04969	0.9
73.02905	3.5
77.80558	0.4
79.05488	2.7
81.03405	1.9
81.07048	8.5
83.04974	11.2
83.08620	0.7
84.05309	2.1
85.02901	8.1
85.06570	0.5
88.46763	0.6
91.03951	2.3
91.05470	2.6
92.52882	0.5
93.07041	1.4
95.04965	1.6
95.08608	1.8
97.02884	4.5
99.04450	0.9
99.08085	0.6
101.02387	1.5
101.06000	0.5
105.07039	3.6
107.04950	2.6
107.08582	1.3
108.05283	0.8
109.02837	1.1
109.06543	0.7
109.10162	0.7
111.04434	11.5
112.04729	3.1
113.04877	0.9
119.04958	1.1
119.08620	2.7
121.02850	0.6
121.10129	2.5
123.11696	2.9
127.03920	1.7
129.05487	1.5
145.04976	0.6
147.04420	1.1
147.11670	7.3
148.04688	0.7
153.01822	0.6
153.05434	3.4
154.05832	0.9
155.05893	0.7
161.86481	0.6
165.12738	2.6
171.06517	1.3
172.06906	0.9
175.04590	0.6
185.04198	0.8
201.06110	0.5
203.05287	1.4
205.04828	0.6
213.09705	0.7
215.11522	0.5
220.45976	0.5
231.08653	0.7
233.04518	1.0
234.04880	0.8
239.11435	0.6
243.08484	1.3
243.14319	0.7
251.11461	3.1
261.04077	0.6
262.04391	0.6
263.04410	1.0
267.15967	1.3
269.12344	6.5
274.12915	0.7
285.17084	0.6
287.13461	3.6
289.03455	1.0
290.04102	0.9
301.08887	0.7
317.02802	1.4
318.03455	2.3
319.03940	2.0
320.04465	1.2
325.14844	3.2
367.15897	0.8
411.06744	0.7
412.07016	0.8
425.21478	1.2
453.21182	0.8
466.08563	0.8
467.09039	0.9
469.19901	21.2
487.20474	3.6
535.28119	2.0
567.31342	6.4
569.69586	0.5
576.12415	0.7
577.12256	1.1
595.13757	0.9
651.33423	5.2
653.35156	0.8
696.35040	0.7
697.33911	100.0
698.34796	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	697.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.5
57.03420	3.0
59.06120	1.1
61.02924	5.9
67.05505	10.3
68.13868	1.0
69.03419	3.8
69.07050	1.5
70.19647	2.1
70.20052	3.3
71.04973	1.7
73.02904	4.2
74.82969	1.0
79.05466	1.9
81.03392	2.6
81.07059	5.2
83.04964	1.5
83.08612	2.1
85.02468	1.0
85.02893	6.8
91.03967	5.0
91.04442	1.0
91.05461	2.4
93.07023	2.7
95.08597	1.6
97.02886	3.8
99.04468	1.3
100.64310	1.0
101.02374	2.7
103.08689	2.6
105.07034	1.6
109.10128	9.1
111.08062	1.1
127.03953	2.6
155.10628	1.2
173.11728	3.0
181.04887	1.1
185.04201	2.2
192.91711	1.1
195.13702	1.2
221.11409	2.4
229.14299	1.3
235.13017	1.3
243.08444	4.4
251.12535	1.1
267.06787	1.4
282.55792	1.1
301.08847	4.9
315.10489	3.8
338.92706	1.1
371.16748	2.6
373.10962	3.5
385.18411	2.5
396.62805	1.2
404.78418	1.2
413.17807	21.1
425.21329	3.4
429.17215	2.3
453.20837	4.8
463.26917	1.5
484.22778	1.7
485.20059	5.6
497.23904	1.5
499.21457	2.3
541.26190	3.1
553.29565	2.0
567.31433	22.9
596.31879	5.8
597.32324	1.4
625.31897	100.0
626.32361	3.0
628.30481	5.6
637.19220	1.2
651.33398	6.7
653.34143	1.5
697.33911	36.2
698.33789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01855	0.5
55.05495	1.0
57.03427	1.9
61.02915	3.9
66.43169	0.2
67.05500	1.9
69.03427	2.2
69.07053	0.7
69.40630	0.9
69.41055	1.9
71.01347	0.4
71.04988	0.6
73.02900	2.7
79.05483	2.2
81.03407	4.6
81.07051	2.4
82.54076	0.2
83.04966	1.5
83.08613	1.1
85.02894	5.8
87.04466	0.3
91.03934	2.1
91.05475	3.0
93.07027	1.4
95.04958	2.3
95.08603	0.9
97.02878	3.4
97.06539	0.5
97.48361	0.3
99.04445	0.8
101.02367	1.6
103.03916	0.3
105.07026	2.4
107.04958	0.6
107.08575	0.5
109.02889	0.7
109.06497	0.6
109.10149	0.2
111.08082	0.4
113.05907	0.3
119.08570	1.8
121.10129	1.1
123.08047	0.3
123.11617	0.3
126.33762	0.2
127.03903	1.1
129.05452	0.4
129.06999	1.0
131.08582	1.0
133.10083	1.2
137.09572	0.3
142.07784	0.3
145.10136	0.4
147.04416	0.3
147.11690	1.5
149.09651	0.6
157.10141	1.1
158.15483	0.2
165.12819	0.4
166.18672	0.3
175.11194	1.2
184.07393	0.5
185.04242	0.4
191.10687	0.4
193.12201	2.2
203.05351	0.4
211.13277	1.1
243.08455	1.9
251.12521	1.4
259.05527	0.3
285.16861	0.7
307.15152	0.7
343.31723	0.3
379.17157	0.4
469.20419	11.5
482.28134	0.5
697.33948	100.0
698.34296	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	697.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01870	0.4
55.05502	1.2
57.03435	1.9
61.02922	4.4
67.05499	4.0
69.03419	3.2
69.07067	1.0
71.01328	0.5
71.04982	0.9
71.70805	0.8
73.02914	3.2
79.05492	2.7
81.03412	4.5
81.07046	5.8
83.04965	1.9
83.08611	1.4
85.02895	6.7
85.06508	0.6
86.09705	1.0
87.04469	0.6
91.03951	3.0
91.05463	3.6
93.07037	2.1
95.04968	1.6
95.08605	1.4
97.02881	3.6
97.06509	1.2
97.10201	0.6
99.04456	0.9
101.02378	1.9
105.07022	3.1
107.04948	0.9
107.08610	1.6
109.02871	0.7
109.06511	0.4
109.10133	0.8
111.04430	2.0
111.08079	1.0
117.07043	0.6
119.04923	0.4
119.08553	2.0
121.10143	1.2
122.03686	0.4
122.24795	0.4
123.08078	0.6
123.11701	1.3
124.99949	0.4
127.03901	1.9
129.06981	0.7
131.08562	1.4
133.10159	1.4
135.11729	0.6
137.05952	2.5
138.86681	0.4
145.10110	0.4
147.04420	0.8
147.11690	3.4
153.05521	0.8
157.10176	1.0
165.12749	1.3
175.11256	1.3
184.07298	3.2
185.04155	0.4
185.07750	0.5
193.12267	1.7
199.11320	0.4
203.05336	0.6
211.13268	0.9
224.03188	0.4
243.08467	1.7
251.12511	2.1
267.15842	0.8
269.12347	2.5
285.17014	0.6
287.13309	0.7
325.14960	0.6
453.20813	0.8
469.20322	13.1
535.28357	1.2
697.33923	100.0
698.34326	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	697.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.05513	8.0
57.02074	1.1
57.03421	3.8
61.02913	1.9
65.03957	1.7
67.05498	9.3
69.03439	1.6
69.07049	1.7
71.01337	1.3
71.04990	1.8
71.70712	1.5
73.02908	2.2
79.05486	5.5
81.03410	7.0
81.07050	9.2
82.07372	1.9
83.04976	47.4
83.08610	3.2
84.05312	1.3
85.02901	100.0
85.06511	2.2
86.09709	3.5
86.49374	1.2
91.03960	1.4
91.05466	6.4
93.07043	3.6
95.04980	4.4
95.08616	2.8
97.02887	4.2
101.02431	1.5
104.06738	1.2
105.07042	3.4
107.08599	2.5
109.10206	2.3
111.04437	23.1
111.08050	1.4
119.04959	4.5
119.08568	1.7
121.10163	2.8
123.04417	1.8
123.11696	1.6
125.00025	2.0
126.73180	1.3
127.03909	8.3
129.05464	12.6
131.08615	1.4
133.10126	2.7
137.02315	1.6
139.03842	1.4
147.04387	7.7
147.11726	1.4
148.04776	2.3
153.05542	1.7
157.10187	2.3
159.71425	1.2
171.06517	64.6
184.07320	11.1
193.12248	2.1
194.04469	1.3
211.13322	2.8
231.08879	1.8
243.15979	1.4
243.57422	1.3
267.15787	1.8
276.04053	1.2
303.05002	1.5
309.07584	1.3
315.05054	4.9
327.04907	2.1
340.06067	1.7
369.06256	2.3
437.29117	1.7
455.29285	2.9
467.09979	2.2
469.20514	5.2
479.09885	2.1
533.11041	3.3
599.93811	1.2
637.15491	2.3
697.17908	2.8
697.33887	61.6
715.22913	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96614	0.7
53.03923	0.9
55.01880	1.0
55.05505	13.0
57.03423	2.0
65.03911	1.2
67.05481	1.3
68.99778	1.2
69.03401	2.5
69.66212	2.7
69.66644	3.5
71.04984	1.3
73.02880	0.8
79.05507	0.9
83.04971	80.6
84.05756	0.8
84.51321	0.7
85.02892	20.0
91.05489	3.6
95.04961	3.5
97.02894	1.0
98.20679	0.9
101.06017	1.1
107.04929	10.2
111.04429	100.0
117.57712	0.7
119.04939	8.9
120.05702	8.7
121.02860	1.7
121.06486	1.2
123.04423	7.1
127.03912	3.2
129.05470	12.0
132.52077	0.8
133.06618	0.9
135.04446	1.0
137.02332	2.2
147.04399	14.7
153.01802	5.7
153.05450	31.3
165.01819	1.2
165.05472	2.0
171.06514	17.7
171.07985	1.5
182.81409	0.7
189.05373	1.3
203.03432	1.3
217.04941	10.1
229.04985	1.9
231.08615	13.7
245.04427	10.6
257.04428	2.9
273.03931	11.3
274.04547	1.4
284.02802	0.8
285.03934	2.7
301.03394	20.5
301.06586	1.5
302.04102	8.0
303.04977	18.7
303.08560	1.0
314.04117	1.9
315.04852	3.6
327.04883	4.0
329.02881	1.6
343.04446	1.1
371.07880	1.0
388.63455	0.8
394.06754	3.7
395.07635	3.7
407.07596	6.8
421.09158	19.9
433.09543	1.2
449.08694	13.4
456.49237	0.8
467.09857	3.6
479.09634	1.3
489.12280	1.4
513.11798	6.2
517.11084	2.4
521.10730	2.0
531.12769	4.0
535.12360	2.5
541.11121	2.8
559.12299	12.3
560.12115	1.0
561.10284	1.2
577.13367	17.2
601.13220	6.8
619.14136	2.8
697.35864	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	697.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
53.38602	0.6
55.01849	1.1
55.05501	14.0
57.03418	2.3
65.03942	1.2
67.05489	3.0
68.99782	1.0
69.03411	1.7
69.56277	2.3
69.56696	3.7
71.01335	1.0
71.04990	1.4
73.02908	1.1
79.05502	0.7
81.03398	1.0
83.04969	78.1
84.05756	1.0
85.02897	21.1
91.05475	3.0
93.07034	0.8
93.38091	0.7
95.04960	3.1
97.02868	1.3
101.06003	2.3
107.04947	10.7
111.04428	100.0
119.04926	7.2
120.05718	8.3
121.02821	1.0
121.06482	1.3
123.04420	6.6
127.03908	2.9
129.05452	12.9
129.06346	1.2
135.04425	0.8
137.02306	1.7
147.04391	7.9
153.01823	5.6
153.05446	34.0
165.01826	1.2
165.05435	1.8
171.06509	19.6
189.05531	1.7
189.07285	0.8
201.05473	0.9
214.78151	0.9
217.04915	9.8
229.04910	2.1
231.08604	17.5
245.04416	11.2
245.06711	1.1
246.04973	0.8
257.04501	1.7
273.03882	12.7
285.03958	2.6
286.04846	1.0
297.91248	0.7
301.03403	24.6
302.04129	6.0
303.04938	14.5
303.41946	0.7
313.03491	0.8
314.04199	1.3
315.04938	4.4
325.07285	0.9
327.04959	5.4
329.02847	1.3
343.04309	1.6
367.07932	0.9
394.06885	3.8
395.07559	3.1
421.09131	19.9
437.08578	1.1
449.08530	12.4
461.08746	0.9
467.09729	2.9
471.10562	1.5
479.09726	1.7
489.11642	1.9
493.07498	0.9
513.11646	3.5
517.10980	1.5
519.08868	0.9
521.10706	1.7
531.12805	2.6
535.11798	3.1
541.11121	2.3
559.12238	9.0
577.13239	12.3
601.13544	6.3
619.14435	3.2
697.33490	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	697.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05503	11.9
56.96574	1.1
57.03433	3.0
57.53110	0.8
59.21368	0.8
61.02904	1.8
65.03936	1.3
67.05489	2.7
68.99768	1.2
69.03423	2.3
71.01347	1.5
71.04974	1.4
71.61623	1.6
73.02929	1.9
73.25251	0.8
79.05482	2.7
81.03391	1.4
81.07050	2.1
82.04169	0.9
83.04976	79.3
84.05737	1.0
85.02901	19.2
91.05462	5.1
93.07019	2.7
95.04978	4.1
95.08620	1.0
97.02899	2.3
101.06018	2.1
103.05514	1.3
105.07037	1.8
107.04948	9.5
111.04434	100.0
119.04939	5.8
120.05728	8.7
121.02886	1.6
121.06506	1.0
123.04420	7.7
127.03899	2.9
129.05473	11.9
137.02377	1.8
147.04402	8.6
153.01820	7.2
153.04262	1.8
153.05460	26.0
165.01877	0.9
165.05461	2.3
171.06538	16.3
183.02899	1.0
217.05017	9.6
229.04898	2.7
231.06348	1.3
231.08624	16.0
241.11124	1.4
245.04491	9.3
257.04486	2.3
258.46777	0.8
259.12228	1.8
273.03937	11.1
274.04645	1.8
285.03906	2.9
285.10126	1.9
301.03378	22.1
302.04160	5.0
303.04987	12.4
303.10803	1.1
313.03018	1.3
314.04016	1.9
315.04932	5.0
315.99667	0.9
327.05115	3.7
329.02808	1.0
371.07318	1.0
394.06866	3.4
395.07828	2.5
421.09186	20.8
433.09366	0.9
449.08630	12.2
467.09778	3.5
471.10724	1.3
479.09747	1.6
485.17346	5.3
489.11545	2.4
513.11938	4.6
517.11163	1.4
521.10504	3.2
531.12781	3.6
535.11945	2.9
541.11328	2.8
559.12311	12.5
577.13416	16.5
601.13245	8.4
619.14172	2.9
625.32007	1.2
651.32910	1.4
697.29736	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	697.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01871	0.9
55.05509	5.4
57.03421	1.7
61.02902	2.2
65.03917	1.3
67.05493	4.4
68.99784	1.9
69.03397	1.5
69.07048	1.2
71.04971	1.6
71.72150	0.5
71.72533	0.7
73.02905	1.3
79.05469	1.3
81.03407	2.2
81.07037	2.5
83.04971	27.6
85.02899	5.7
91.03963	1.6
91.05467	9.5
93.07025	2.7
95.04963	3.2
95.08620	1.3
97.02885	1.4
97.06497	0.7
99.04447	0.9
103.08690	0.7
105.06973	0.7
107.04945	3.0
107.08589	1.2
109.02832	1.9
109.10147	1.7
111.00809	1.7
111.04430	45.9
112.04763	0.9
114.22913	0.6
117.06992	0.6
119.04932	21.4
119.08640	0.7
121.02850	3.4
121.06486	3.0
121.10133	0.7
123.04407	2.2
127.03903	2.1
129.05467	3.8
135.11700	1.1
137.02333	8.4
145.06490	0.7
147.04393	96.1
148.04732	1.9
149.02321	1.8
149.13304	0.6
153.01825	9.9
153.05453	30.1
155.04865	0.9
161.05890	1.0
163.03894	1.8
165.01833	4.8
171.06526	6.4
173.05977	1.0
177.05482	0.5
180.16531	0.7
183.02940	1.4
183.04370	1.3
185.04239	1.3
187.03844	0.8
197.05984	0.9
201.03865	0.6
201.05440	2.9
203.03455	0.9
213.05490	0.8
213.07631	0.8
215.03427	0.6
215.05382	1.0
219.02798	0.8
229.04945	8.4
231.08682	2.7
235.13049	0.9
239.03421	1.6
243.08463	0.8
247.05959	1.1
257.04440	7.0
269.10526	0.8
273.09732	2.1
274.04672	0.9
285.03946	4.4
301.03400	1.2
301.08911	4.2
303.04962	100.0
304.05298	2.0
313.03452	0.8
315.10458	1.4
329.02911	2.9
333.07376	0.8
333.16397	0.8
335.11227	0.7
351.08780	0.8
355.04526	2.8
361.06961	1.3
373.11197	1.6
377.12213	5.6
379.08124	3.2
385.18332	1.4
387.12332	0.9
389.06439	2.4
407.07584	62.0
408.07977	1.7
417.25937	0.8
421.09039	0.9
423.19925	0.8
443.18942	1.6
449.08633	10.5
453.20944	2.9
464.33487	0.7
469.20261	1.0
484.22592	0.9
512.22400	0.9
525.22864	1.8
567.31531	5.1
595.30957	1.8
625.32227	0.8
651.33484	6.4
679.32739	1.0
697.33850	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.3
57.03421	1.4
65.03937	1.1
67.05489	3.4
68.36427	0.8
70.33464	3.8
71.04986	1.2
79.05473	1.1
81.03413	2.8
81.07036	2.9
83.04977	43.9
83.08601	0.7
84.05323	0.7
84.35659	0.7
85.02904	2.0
86.09697	2.2
91.05467	6.1
93.07018	2.9
95.04964	2.8
95.08569	1.0
97.02884	1.3
101.29939	0.7
105.07015	0.9
107.08562	0.9
109.10186	0.9
111.04436	100.0
114.13296	1.0
119.04943	12.3
123.03647	1.0
123.04402	4.2
124.99995	1.6
129.05458	1.8
129.06931	1.0
131.08643	0.9
147.04399	66.8
147.11707	1.0
153.05457	55.1
160.39957	0.9
165.05406	0.8
171.06529	4.8
172.09981	0.9
184.07365	6.6
213.07559	1.8
230.80875	0.8
267.16022	1.1
268.16132	1.0
269.16965	1.3
273.09698	2.5
303.05093	1.4
377.12405	3.6
449.28860	1.7
455.29694	0.9
463.29324	2.4
464.28174	1.0
469.20181	1.0
697.33899	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	697.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.49240	0.3
55.01863	1.3
55.05506	12.9
57.03434	3.0
61.02924	0.8
65.03935	1.2
67.05493	1.2
68.99789	0.7
69.03419	2.7
69.63046	2.5
71.01355	1.2
71.04980	1.4
73.02909	1.1
74.60429	0.3
79.05491	0.6
81.03378	0.5
81.07055	0.8
83.04971	77.8
84.05298	0.9
84.05756	1.0
85.02895	19.3
87.00820	0.4
87.04445	0.4
89.02377	0.7
89.63968	0.3
91.03960	0.4
91.05461	2.9
93.03387	0.6
93.07032	0.6
94.04168	0.3
95.04953	4.2
97.02863	1.4
99.04464	0.6
101.06024	1.7
103.05466	0.6
107.04944	10.3
109.02874	0.3
109.10161	0.4
110.81493	0.3
111.04430	100.0
112.04654	0.3
112.05282	0.5
113.05984	0.4
119.04926	7.6
120.05714	9.3
121.02843	1.0
121.06491	1.1
123.04420	6.6
127.03916	2.9
129.05467	11.5
130.92097	0.3
135.04396	0.7
137.02325	1.4
147.04388	7.7
148.05122	0.4
149.05986	0.6
153.01816	5.4
153.05450	31.2
161.05911	0.6
163.03902	0.4
165.01808	1.0
165.05476	2.2
171.06511	19.4
172.06773	0.5
173.05957	0.6
175.03967	0.6
176.71558	0.3
177.05484	0.3
187.03847	0.4
187.07484	0.4
189.05455	1.5
189.07527	0.6
199.03799	0.3
201.05450	0.8
203.03404	0.8
213.07440	0.4
213.09218	0.6
217.04942	10.1
228.04062	0.5
229.04959	2.1
231.08621	14.9
245.04428	10.2
246.05011	0.9
257.04504	1.7
258.05194	0.6
273.03915	11.7
274.04608	1.2
285.03961	2.7
286.04654	0.8
287.05469	0.9
301.03397	22.8
302.04184	5.4
303.04953	11.5
313.03275	0.7
314.04199	1.5
315.05020	3.7
327.04980	4.6
329.02707	0.6
339.04721	0.4
343.04263	1.0
343.08099	0.4
352.98849	0.3
353.06564	0.6
357.05661	0.5
367.08173	0.5
369.05759	0.3
371.07584	0.9
379.04562	0.4
394.06744	2.8
395.07492	2.0
421.09143	19.1
422.09445	0.6
433.09094	0.9
437.08377	0.6
447.06732	0.5
449.08682	12.4
453.20731	0.9
461.08237	0.5
467.09644	3.2
471.10458	0.7
479.09531	1.1
489.11865	2.1
493.07526	0.6
496.09973	0.4
501.08832	0.4
509.10812	0.4
513.11737	3.1
517.11218	1.6
521.10779	2.4
531.12726	2.6
535.12714	1.9
541.11377	1.9
551.42493	0.3
559.12280	8.7
560.11908	0.5
561.09930	0.5
577.13458	10.8
578.13531	0.7
601.04413	0.4
601.13342	6.2
619.14404	2.8
625.31152	1.0
628.29205	0.4
628.41730	0.3
637.15295	0.6
697.37775	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	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02275	1.3
53.03943	2.0
55.05505	13.6
57.03435	7.4
57.07065	9.8
57.77695	1.1
59.11466	1.3
61.02922	25.9
65.03939	1.8
67.05499	69.0
69.03407	3.4
69.07060	21.7
71.04965	1.6
71.08624	5.1
71.31551	2.5
73.02910	11.0
75.04480	1.1
79.05484	20.9
79.90012	1.0
81.03410	2.4
81.07051	80.8
83.04955	1.8
83.08611	16.7
85.02901	27.5
85.06537	2.3
91.03951	28.1
91.05477	12.4
93.07036	20.9
95.08601	67.8
96.08897	1.4
97.02877	15.4
97.06528	5.3
97.10167	10.8
99.04454	1.8
99.08105	2.7
105.07037	9.5
107.08585	15.3
109.02869	1.3
109.10146	32.6
111.08064	3.3
111.11707	3.6
113.09632	2.7
115.03938	2.0
119.08583	11.1
121.10130	20.2
123.11691	16.5
125.09627	2.3
125.13284	1.2
127.03922	8.1
127.11176	2.5
130.37543	1.4
131.08626	1.2
133.10110	15.3
135.11697	11.0
137.09563	1.6
137.13231	9.2
139.11159	1.9
141.12685	3.4
145.04956	14.3
147.11659	8.0
147.56647	1.4
149.13260	11.3
151.14796	6.9
155.14297	4.0
161.13271	13.2
163.06001	19.6
163.14796	9.2
165.12796	1.7
165.16414	8.2
167.14113	1.2
175.14819	10.0
177.16376	2.6
179.14278	1.6
179.17931	8.5
181.15971	1.2
189.16367	4.2
203.17969	2.0
245.22639	72.9
247.24278	1.5
263.23685	100.0
265.25400	3.6
281.24786	3.6
297.61130	1.3
308.72110	1.3
320.37817	1.3
323.17468	1.3
337.27335	45.8
355.28372	7.6
428.20459	1.4
499.32571	1.5
686.41779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59855	0.2
53.00293	0.2
53.03941	0.2
55.01875	0.2
65.03923	0.4
65.18257	0.1
66.83350	0.1
68.99776	0.2
70.06583	0.1
71.71720	0.2
78.04707	1.8
79.05476	1.0
81.03388	0.3
81.07064	0.2
86.09705	0.2
91.05476	0.5
93.03386	0.3
93.07025	0.4
95.04958	0.4
96.05773	0.2
103.05463	0.2
104.11885	0.1
105.07027	0.5
106.04154	0.6
107.04935	1.2
109.02872	0.2
111.00828	0.2
111.04446	0.7
114.65405	0.1
121.02904	0.4
121.06499	0.6
122.03679	0.2
123.04424	4.2
123.05276	0.3
124.05203	1.5
125.06018	0.1
131.04877	0.2
133.06477	0.7
134.03624	0.2
137.05969	0.9
139.03888	29.4
140.04237	0.5
149.05981	1.1
151.03896	2.4
152.04654	1.4
161.05984	0.6
163.03903	1.5
166.06256	0.2
167.07027	100.0
168.07353	2.4
177.05499	0.2
179.07010	0.9
181.08591	1.2
191.06970	0.1
193.08588	3.8
193.65633	0.1
193.84035	0.1
203.15060	0.1
205.04945	0.7
211.09647	5.8
212.10011	0.2
212.12906	0.2
259.97922	0.2
289.07010	4.9
331.11795	0.3
401.15854	0.3
503.13156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.1
50.29413	0.1
51.02362	0.1
53.03943	0.1
54.05391	0.1
55.01873	0.3
55.05505	3.2
57.03433	0.3
61.02919	0.2
65.03930	1.0
67.05496	1.0
69.03416	0.7
69.07060	0.3
69.39697	0.8
69.40111	0.3
71.04993	0.2
79.05486	0.6
79.69058	0.1
81.03417	0.5
81.07061	0.9
83.04974	16.0
83.08610	0.1
85.02898	0.9
91.05474	9.3
93.07037	0.4
95.04964	0.5
95.08604	0.3
97.02853	0.2
97.06500	0.2
98.20659	0.2
99.08071	0.1
101.06024	0.1
105.07024	0.4
107.04927	0.4
107.08570	0.5
109.10161	0.3
111.04433	44.1
112.04752	0.2
119.04932	24.5
120.05266	0.1
121.10125	0.2
127.03915	0.4
129.05499	0.9
129.06990	0.2
131.08597	0.2
133.10170	0.2
135.04388	0.1
135.11653	0.1
147.04396	100.0
148.04756	0.6
153.01982	0.5
153.05452	22.5
157.10181	0.1
163.03957	0.1
165.01761	0.1
165.05521	0.4
171.06525	1.4
184.07266	0.3
191.03447	0.1
193.12192	0.3
211.13396	0.2
213.07494	0.2
257.08066	1.3
267.15848	0.3
269.10760	0.2
269.17371	0.6
285.09991	0.3
285.16940	0.4
301.03354	0.1
319.04443	0.5
329.02805	0.3
331.04425	0.5
349.15729	0.1
354.68173	0.1
361.05334	0.1
369.05991	0.3
371.03754	0.2
377.12271	6.7
383.07513	0.2
384.98187	0.1
385.05191	0.3
395.07492	0.4
411.06995	0.8
423.07175	0.6
427.06412	0.1
429.08185	0.2
461.28830	0.3
479.29846	0.9
480.30148	0.4
575.97540	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	695.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.8
65.03932	1.1
67.05489	0.6
69.62752	0.7
69.63165	1.8
81.03385	0.4
81.07027	0.5
83.04969	15.5
85.02894	0.7
86.23634	0.3
91.05466	9.5
106.52773	0.3
107.08530	0.4
111.04430	41.4
116.35388	0.3
119.04931	26.1
127.03889	0.4
129.05478	0.9
147.04391	100.0
148.04782	1.2
153.05446	22.3
165.05508	0.5
171.06493	1.4
191.49725	0.4
254.38583	0.4
257.08029	1.6
319.04449	0.5
329.02823	0.6
331.04471	0.8
369.06219	0.7
377.08542	0.4
377.12357	4.3
385.05402	0.4
411.07318	1.1
437.66043	0.4
451.00320	0.4
588.17322	0.5
617.71558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01857	2.7
55.05504	9.9
57.03430	14.7
57.07070	1.5
61.02911	1.5
64.91756	1.1
65.03934	1.3
67.05143	2.6
67.05495	41.9
69.03419	2.1
69.07069	9.7
69.67101	5.0
69.67533	4.8
70.24171	1.3
71.01340	2.1
71.04967	5.9
71.84666	1.2
79.05486	31.4
81.02948	2.7
81.03412	45.6
81.07051	35.6
81.07416	0.8
81.07537	1.3
83.04970	12.2
83.08613	12.3
85.02907	2.6
85.06525	3.5
86.09692	1.7
91.05468	23.3
93.07037	34.7
95.04954	13.9
95.08602	11.7
97.02910	1.6
97.06528	11.3
97.10176	8.3
99.08085	2.4
105.07020	13.2
107.04937	4.7
107.08585	23.6
109.06484	3.1
109.10165	5.9
111.04427	12.4
111.08071	6.0
117.07005	5.2
119.04922	5.1
119.08592	11.7
121.06545	2.2
121.10148	8.9
123.11707	3.8
125.09579	1.2
129.06995	5.5
131.08569	4.6
133.06465	2.5
133.10126	7.6
135.11685	30.4
137.09599	3.0
141.06998	1.3
145.10110	5.3
145.19398	1.1
147.04405	16.4
147.08023	1.9
147.11671	14.2
149.09596	2.9
149.13278	2.9
151.11078	1.4
153.05467	2.5
157.10132	6.1
159.11685	1.6
163.11162	4.8
165.12827	4.6
173.13177	1.1
175.11162	5.5
181.12276	6.1
184.07352	4.8
187.13292	1.8
193.12227	14.9
195.13884	1.4
211.13315	1.8
215.25569	1.1
216.53755	1.2
243.16026	3.5
255.15884	63.2
267.15881	51.8
269.17438	8.0
285.16879	8.7
287.18533	5.5
291.86560	1.2
292.04633	1.3
313.27997	1.3
323.19629	1.3
403.24835	2.2
421.25653	7.0
439.27112	1.8
447.27386	100.0
448.27542	4.3
453.28531	15.3
461.28848	5.2
465.28482	4.9
469.91614	1.2
479.29919	18.7
489.28284	3.5
497.30920	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	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01867	1.3
55.05503	10.4
57.03439	5.4
57.07074	3.8
61.02920	28.1
65.03938	1.9
67.05500	58.4
69.03436	4.7
69.07063	10.1
69.42889	7.6
71.04980	2.6
71.08618	1.0
73.02530	1.0
73.02915	11.5
75.04468	1.7
77.03934	1.0
77.34028	0.6
79.05486	37.2
81.03398	2.5
81.07050	72.9
82.07375	1.3
83.04972	1.2
83.08608	6.6
85.02898	31.2
85.06528	2.5
91.03367	0.9
91.03952	25.0
91.05473	19.5
93.07035	50.3
94.07367	0.7
94.69498	0.7
95.04949	3.1
95.08597	50.5
97.02882	15.5
97.06519	3.0
97.10139	3.0
99.04450	1.6
99.08076	2.4
105.07020	15.6
107.08582	36.4
108.08913	0.8
109.02815	0.7
109.06519	1.9
109.10147	30.1
111.08067	2.6
111.11738	0.8
113.09661	0.9
115.03920	2.2
117.07003	7.7
119.08566	15.1
121.10135	33.7
122.10442	0.9
123.08047	1.0
123.11705	14.5
125.09633	1.4
127.03907	10.3
131.08557	20.0
132.08963	0.7
133.10120	13.6
134.10471	0.7
135.11684	27.9
137.09601	2.1
137.13235	7.0
139.11153	2.3
145.04948	13.3
145.10101	16.3
147.11690	12.1
149.09610	0.8
149.13245	20.7
151.11176	1.9
151.14845	2.3
153.12744	1.7
159.11682	13.5
161.13258	10.3
163.06006	18.7
163.11116	1.5
163.14807	15.1
165.12740	2.2
173.13239	13.9
174.13516	0.7
175.14778	3.6
177.12759	1.6
177.16347	7.4
179.14359	3.4
187.14796	9.4
189.16324	1.0
191.14326	2.0
201.16347	2.3
205.15851	2.1
213.94643	0.7
215.17892	1.1
219.17509	1.2
233.19043	1.1
233.22565	3.1
243.21080	38.3
261.22128	100.0
262.22491	4.0
263.23566	1.0
279.23227	2.9
285.42035	0.9
317.24738	1.3
335.25775	18.0
336.25916	1.1
353.26840	51.8
354.27200	2.3
443.44342	0.7
497.30426	0.8
538.57477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01860	3.0
55.05508	21.2
57.03436	18.3
60.08149	2.2
61.02913	7.1
65.03920	2.6
67.05499	78.1
69.03416	4.9
69.07058	17.4
70.17122	8.8
71.04988	10.1
73.02892	3.4
79.05489	39.6
81.03411	67.3
81.03890	3.9
81.07047	100.0
83.04975	18.3
83.08607	26.4
85.02892	26.1
85.06531	11.4
86.09695	8.0
87.04457	2.4
91.03949	2.9
91.05471	42.3
93.07034	44.4
95.04958	28.1
95.08595	20.0
97.02882	6.7
97.06520	14.1
97.10138	4.5
99.08080	4.4
99.46699	2.0
105.07019	31.0
107.04967	8.9
107.08586	21.2
109.06530	10.1
109.10166	11.8
111.04412	4.8
111.08062	12.0
112.32872	2.0
113.06013	3.6
117.07009	8.7
119.04922	4.5
119.08557	22.7
121.06457	2.2
121.10130	14.0
123.08034	4.2
123.11703	11.8
124.99996	5.3
125.09618	2.1
129.06978	13.1
131.08559	21.9
133.06471	3.5
133.10115	27.0
135.08018	2.5
135.11670	8.0
137.09564	4.4
139.03883	2.8
142.07802	2.7
144.18468	2.5
145.10083	3.4
147.04407	7.4
147.08046	3.7
147.11656	17.0
149.09622	8.5
149.13246	13.5
151.11128	6.2
157.10135	16.7
159.11655	10.7
163.11148	4.6
165.12767	3.8
169.12160	2.1
175.11160	14.3
177.12762	3.7
183.58360	1.7
184.07327	29.3
187.13286	7.4
193.12231	38.4
195.13863	4.0
211.13271	44.7
212.13507	2.6
213.14603	2.1
219.13853	5.5
243.15924	21.5
267.15875	37.3
268.16187	3.7
269.17447	28.4
285.16937	44.0
286.17245	4.1
287.18475	19.9
293.17407	4.8
346.15393	2.1
369.24496	2.5
387.25089	5.0
405.26340	3.8
421.25909	3.2
424.71805	1.8
435.27380	28.2
439.26782	7.2
443.27930	3.1
447.27429	2.9
453.28445	90.2
454.28729	4.6
461.28931	38.3
465.28366	5.8
479.30090	36.3
497.30942	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.3
55.01861	0.9
65.03935	2.3
67.05498	0.4
67.46508	0.4
68.99773	1.1
70.96880	0.7
70.97219	0.3
79.05476	1.7
80.17249	0.3
81.03431	0.3
81.07004	0.3
83.01335	0.5
87.72408	0.3
89.03886	0.4
91.05458	2.1
93.03399	1.4
93.07022	0.5
94.04183	0.8
95.04952	0.8
96.68894	0.3
97.02904	0.5
102.03288	0.3
102.04704	0.3
103.05450	0.9
105.03311	0.3
105.04594	0.3
105.07024	0.6
107.04969	2.7
109.02853	0.3
109.06515	0.7
111.04424	1.7
115.05415	0.5
117.03339	0.4
119.04919	1.9
121.02876	2.3
121.06502	1.5
122.03604	1.7
123.04413	1.3
124.05185	0.4
125.02357	1.1
129.06953	0.5
130.04109	0.8
131.04924	4.0
133.02797	0.9
133.06386	0.4
135.04399	3.9
137.05966	35.5
138.06284	0.5
139.03886	100.0
140.04236	1.3
140.16057	0.3
141.06967	0.8
145.02805	0.4
145.06485	0.3
146.03600	0.5
147.04402	6.5
148.05113	0.8
149.02367	0.4
149.05986	3.9
150.06737	4.1
151.03893	7.1
152.04576	0.4
153.01837	1.0
153.05405	0.7
153.06998	0.6
155.08595	0.4
157.06483	1.2
159.04298	0.7
159.08098	0.4
160.05182	0.5
161.05949	4.6
162.06714	3.3
163.03891	26.9
163.07503	1.6
164.04243	0.6
165.05594	0.6
165.07024	1.1
167.07033	25.0
169.06471	1.8
171.04420	2.5
171.08093	0.6
175.03889	6.9
175.07489	0.8
176.04640	1.0
177.05449	2.5
179.03391	0.8
179.07010	1.2
181.04947	1.9
181.06505	1.6
183.08075	0.6
185.05986	0.9
187.03883	2.7
187.07533	0.5
189.05501	0.4
189.09041	1.8
191.07095	0.5
193.04950	2.6
193.06445	0.5
194.05667	0.9
195.08022	0.7
197.05916	2.4
198.06647	0.4
199.03783	0.4
199.07591	0.5
203.03453	0.9
203.07014	2.6
205.04915	4.3
205.06583	0.6
207.06494	0.5
209.06100	0.4
209.08066	11.2
211.07509	1.1
213.05472	1.3
213.09038	0.5
214.06253	0.3
217.08626	0.6
221.06009	0.6
221.08063	0.4
223.07535	1.4
225.05418	0.9
226.06107	0.4
227.07053	0.3
229.08580	1.7
237.05505	0.5
239.07062	2.9
239.09189	0.5
241.04932	0.5
241.08514	0.5
243.06540	0.7
245.08150	0.3
249.05460	0.5
249.07733	0.4
251.06995	1.6
253.08554	0.5
255.06606	0.5
256.07224	0.4
257.07947	2.1
259.06024	1.0
267.06534	4.2
269.04385	0.6
269.08087	0.6
271.06055	0.4
271.09552	0.8
279.06451	2.1
281.08087	0.9
283.05997	0.5
283.09653	1.1
285.07498	0.7
286.08252	0.4
287.05579	2.9
287.09061	16.3
289.07034	1.1
295.06305	0.4
297.07849	0.5
299.09119	30.6
300.09448	0.6
301.07071	1.3
309.07590	1.0
311.09116	16.1
312.09485	0.4
313.07162	1.1
317.10181	12.7
323.09244	0.4
325.07037	1.0
329.10223	5.0
341.10208	0.3
351.12488	0.5
369.13419	0.6
378.31302	0.4
437.12320	4.2
449.12292	6.1
450.12814	0.4
467.13351	5.7
541.86652	0.4
654.87640	0.3
692.51392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03939	2.5
55.01859	2.8
55.05508	18.0
57.03431	8.5
57.05604	0.6
57.07058	2.0
59.04993	2.3
61.02925	5.4
64.08555	0.7
65.03928	1.9
65.63435	0.7
67.05498	78.6
69.03426	1.9
69.07057	15.2
69.50864	6.2
71.01360	0.6
71.04985	20.8
72.64033	0.7
73.02901	2.2
79.05022	1.5
79.05486	31.7
81.03405	5.8
81.07048	100.0
81.51697	0.6
82.07368	1.5
83.04979	6.8
83.08612	18.0
84.34038	0.7
85.02903	6.7
85.06544	8.2
87.04461	1.6
89.93981	0.7
91.03946	1.9
91.05468	28.1
92.05767	0.8
93.07036	41.3
95.04958	5.5
95.08594	17.5
97.02876	2.7
97.06519	8.9
97.10162	6.1
99.04459	1.0
99.08098	2.4
103.03920	0.8
105.04555	0.8
105.07010	10.1
107.04961	1.9
107.08586	26.8
109.02898	0.7
109.06531	2.0
109.10146	20.0
111.08075	5.5
117.07005	7.4
119.08591	4.3
121.06496	2.0
121.10133	10.9
123.08060	1.5
123.11694	14.9
123.12535	1.2
125.09592	4.0
127.07564	0.7
129.05498	1.6
129.06989	0.8
131.08565	9.8
133.10114	21.5
135.08046	2.0
135.11684	9.2
137.09644	2.1
143.10703	1.2
145.10121	1.2
147.11670	1.8
149.09692	0.9
149.13240	15.0
151.11188	7.5
152.76053	0.6
155.10626	1.4
157.10168	1.1
159.11681	8.9
160.11832	0.7
163.11197	1.8
165.75214	0.7
173.11746	4.9
177.12715	3.9
181.12202	0.8
183.13834	2.9
187.13272	4.9
193.12260	0.7
195.13785	14.4
199.13316	2.8
201.14821	0.8
209.11583	1.3
209.86148	0.8
213.14896	1.5
218.32158	0.7
225.14966	1.3
227.12863	1.6
229.14322	18.5
239.16403	1.3
243.15829	1.0
251.16393	1.0
257.17511	1.7
267.15845	1.6
269.17447	40.0
283.15469	1.5
292.82043	0.8
297.16895	1.1
301.16541	4.9
301.20148	13.3
301.51788	0.7
313.73517	0.7
385.24307	0.8
392.40317	0.9
393.26782	1.2
411.27509	2.2
423.27402	13.9
437.28952	60.7
438.29300	2.0
451.30618	7.3
463.30481	24.2
463.36746	1.2
495.33347	72.8
496.33670	3.4
513.30591	4.6
556.55457	0.9
639.36688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87203	0.5
53.03934	2.2
55.01868	2.2
55.05248	1.0
55.05506	14.9
57.03172	0.9
57.03434	9.8
57.07053	2.3
59.04998	2.3
61.02919	3.2
64.78275	0.5
65.03935	2.8
65.12196	0.5
67.05499	70.7
68.05813	0.8
68.77624	0.6
69.03415	2.3
69.06704	1.1
69.07064	15.5
70.17780	2.5
71.01337	0.9
71.04624	1.2
71.04988	17.4
73.02919	2.4
77.03893	0.7
79.05483	29.4
81.03416	4.8
81.07050	100.0
83.04971	6.3
83.08610	13.3
85.02900	6.0
85.06531	7.4
87.04472	1.4
91.03949	1.9
91.05473	23.5
93.07037	40.8
95.04962	4.2
95.08598	16.6
97.02877	2.4
97.06524	9.4
97.10167	4.3
99.04485	0.9
99.08096	2.8
105.04475	0.8
105.07027	9.1
107.04942	1.4
107.08582	27.8
109.06518	2.5
109.10149	15.3
111.08071	6.0
113.09661	1.0
117.06998	5.7
119.08567	4.0
121.06486	1.4
121.10137	15.0
123.08085	1.4
123.11695	9.3
125.09636	3.7
129.05486	1.3
131.08556	7.3
133.09094	0.8
133.10118	15.5
135.08064	1.4
135.11679	7.4
135.31343	0.6
139.11185	0.9
145.10098	0.9
147.11639	1.9
149.13252	19.3
151.11139	5.2
153.12804	1.0
155.10692	0.9
157.10095	1.0
159.11697	10.9
163.11197	1.7
165.12701	1.0
173.11742	3.6
177.12758	5.6
181.12326	0.6
183.13857	2.4
187.13324	2.2
191.10626	0.8
193.12187	1.1
195.13808	9.4
199.13232	1.8
209.11737	1.7
213.14876	1.9
225.14900	0.9
227.12778	1.6
229.14333	10.3
243.12537	0.8
251.16461	0.9
257.17386	0.8
267.15988	2.1
269.17462	33.1
301.16418	3.4
301.20105	7.3
411.27554	1.2
423.27344	8.6
437.28979	46.5
438.29221	1.8
451.30682	6.8
460.95935	0.7
463.30508	89.8
464.30576	3.4
492.03867	0.7
495.33633	33.5
496.33612	1.3
513.30432	3.1
639.37122	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01865	8.8
55.05251	2.0
55.05507	36.8
57.03164	2.5
57.03427	20.3
57.07056	2.1
58.99332	1.2
59.04986	2.9
60.05717	1.2
61.02921	8.6
65.03927	3.4
67.05500	100.0
69.03419	4.9
69.07066	21.4
69.71574	10.0
71.01333	2.5
71.04980	5.5
73.02909	3.6
79.05487	36.9
81.03415	13.4
81.07053	74.8
82.07430	1.3
83.04971	9.4
83.08617	19.9
85.02894	16.6
85.06530	5.0
87.04468	5.1
91.03954	3.1
91.05474	27.4
93.07042	45.7
95.04957	10.2
95.08598	21.2
97.02907	6.2
97.06527	13.5
97.10165	15.0
98.20690	1.5
99.08076	2.6
104.34649	1.3
105.04465	1.5
105.07024	11.4
107.04948	3.9
107.08595	27.7
109.02832	1.2
109.06486	4.0
109.10153	53.3
111.04429	2.1
111.08079	6.9
115.85316	1.2
117.07009	8.8
119.08591	11.4
121.06506	2.3
121.10125	11.0
123.08045	3.9
123.11687	5.1
125.09647	14.3
129.05472	6.7
131.08591	8.2
133.10118	14.9
135.08035	1.9
135.11679	11.9
137.09586	3.1
139.11237	1.6
143.07074	1.8
143.10669	3.9
145.10100	4.2
147.08046	1.4
147.11655	3.7
149.13248	11.9
151.11156	3.4
153.12735	3.8
155.10617	4.1
157.08540	1.7
159.11697	8.1
163.11192	10.1
165.12738	3.4
173.09616	2.0
173.11728	19.0
177.12701	4.5
178.56636	1.2
181.12198	3.8
191.10651	1.9
193.12265	4.7
195.13814	18.9
199.13345	7.4
204.18546	1.3
209.11713	7.5
211.13268	4.3
213.14749	2.3
227.12798	11.2
229.14342	48.6
239.16338	2.7
257.13959	2.1
267.15878	10.0
269.17471	57.5
270.17953	1.6
283.15329	4.9
301.16461	16.4
323.18582	1.5
393.26355	2.0
411.27313	5.4
423.27377	29.8
431.27963	1.9
477.28394	2.4
495.29486	52.3
496.29712	3.1
513.30621	25.3
514.30945	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	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01867	4.7
55.05501	20.8
57.03159	1.4
57.03426	13.5
57.07064	3.1
59.04980	2.1
61.02914	5.5
65.03930	2.8
67.05496	87.1
69.03416	3.6
69.07062	18.5
69.98614	5.5
70.59971	0.9
71.01363	1.2
71.04981	18.6
73.02905	2.3
78.36402	0.9
79.05487	34.0
81.03406	7.0
81.07047	100.0
82.07378	1.2
82.91866	0.9
82.94333	0.9
83.01285	1.0
83.04967	7.8
83.08611	15.1
83.94662	0.9
85.02905	7.2
85.06540	8.2
87.04465	1.8
91.03947	2.3
91.05466	27.1
93.07035	48.8
95.04949	5.5
95.08600	20.1
97.02873	3.0
97.06506	9.6
97.10146	8.3
98.20626	1.0
99.08090	2.5
103.03963	0.9
105.07018	11.8
107.04942	1.5
107.08580	28.7
109.06497	3.5
109.10136	22.9
110.59513	0.8
111.08072	6.4
117.07011	5.9
119.08568	4.1
121.06478	2.2
121.10136	13.0
123.08130	1.0
123.11701	10.6
125.09602	6.1
129.05460	2.4
129.06975	2.0
131.08560	9.3
133.10106	18.7
135.08032	2.3
135.11641	8.7
137.09586	1.3
145.10107	1.8
147.11676	2.7
149.13237	22.1
151.11151	5.0
153.12718	1.3
155.10629	1.7
159.11649	8.5
159.76392	0.9
163.11140	2.9
165.12727	1.1
167.14342	1.2
173.11679	6.3
175.11249	1.2
177.12747	5.9
183.13766	1.6
187.13271	2.7
193.12248	2.0
195.13806	10.6
199.13399	1.0
209.11650	2.2
211.13217	0.8
213.14803	2.0
225.15028	1.1
227.12790	1.9
229.14319	15.6
229.16461	1.3
251.16501	1.3
257.17599	0.9
267.15930	2.1
269.17453	37.8
270.17975	0.9
283.15381	1.1
301.16443	5.7
301.20074	6.2
419.27899	1.0
423.27328	11.3
437.28949	39.8
451.30878	5.7
463.30536	68.6
464.30972	1.8
495.33929	27.6
496.33423	1.2
513.30627	6.5
577.32074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01862	5.9
55.05508	33.7
57.03429	15.1
57.07072	2.1
59.04988	6.1
61.02919	7.6
65.03941	2.5
67.05502	100.0
69.03432	3.7
69.07068	21.8
69.40891	15.2
71.01339	2.3
71.04986	6.5
73.02912	5.3
79.05487	38.9
81.03417	15.2
81.07051	80.3
83.04970	11.1
83.08620	19.3
84.07555	1.3
85.02907	16.6
85.06540	3.5
87.01642	1.4
87.04465	4.6
91.03926	2.0
91.05474	32.6
92.12991	1.7
93.07040	47.3
95.04977	8.9
95.08602	24.5
97.02881	4.8
97.06538	8.1
97.10153	14.8
99.08124	2.1
103.03905	1.8
105.07026	11.5
107.04955	4.1
107.08588	30.0
109.06499	3.0
109.10150	53.7
111.04438	2.0
111.08037	7.2
117.07018	10.2
119.08580	9.3
121.06522	3.4
121.09390	1.6
121.10100	8.5
123.08104	3.2
123.11687	3.3
125.09635	13.4
127.03904	2.1
129.05476	5.4
129.07010	3.4
131.08562	12.1
133.10126	16.8
135.11678	11.6
137.09666	1.7
143.10701	2.4
145.10081	5.1
147.08038	1.9
147.11647	4.0
149.09616	1.8
149.13261	15.7
151.11176	2.0
153.12773	3.1
155.10651	2.6
159.11713	7.7
163.11223	8.8
173.09578	1.7
173.11726	14.1
177.12752	4.0
181.12216	3.5
191.10690	4.1
193.12231	2.1
195.13824	17.4
199.13295	8.4
209.11720	6.3
211.13350	2.7
213.14816	1.5
227.12743	7.1
229.14340	50.0
235.54237	1.3
239.16238	1.8
254.43306	1.3
257.13846	3.3
267.15948	5.6
269.17471	63.6
278.21005	1.9
283.15393	4.4
301.16467	16.1
393.26630	3.1
411.27512	6.4
423.27353	35.5
424.27866	2.6
495.29504	59.9
496.29715	4.7
513.30621	24.3
693.32568	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	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67977	1.3
53.03926	4.9
55.01866	15.8
55.05509	31.3
57.03430	23.5
57.07075	2.6
61.02921	9.6
64.51319	1.4
65.03929	3.1
67.05500	90.3
69.03417	9.4
69.06703	2.2
69.07065	26.2
71.01341	2.7
71.05000	7.4
73.02910	6.7
75.99860	1.4
79.05489	61.4
81.03410	23.5
81.07050	100.0
82.04198	3.3
82.07368	2.3
82.72725	1.4
83.04980	15.9
83.08609	24.6
85.02891	11.5
85.06528	5.4
91.03945	3.0
91.05473	38.1
91.06039	2.0
93.07037	53.7
94.07348	1.4
94.29705	1.6
95.04963	16.6
95.08603	26.6
97.02882	9.3
97.06534	17.2
97.10168	15.4
98.07320	4.5
99.04411	2.5
99.08073	2.1
105.07027	17.1
107.04943	9.5
107.08585	40.3
109.02890	2.2
109.06481	7.1
109.10164	19.5
111.04412	4.0
111.08079	9.3
112.36343	1.6
114.40498	1.5
116.04733	7.7
117.07012	12.7
119.08580	12.0
121.06513	3.9
121.10127	17.7
123.08059	4.6
123.11706	4.4
125.09628	13.8
127.03899	3.0
127.11166	2.0
129.05478	20.0
129.07021	4.3
131.08554	15.9
131.09381	2.1
133.06409	1.9
133.10135	20.6
135.08072	3.6
135.11716	13.3
135.60619	1.4
137.09596	2.0
143.07018	6.5
145.04956	1.4
145.06517	1.5
145.10133	5.0
147.08029	1.7
147.11671	9.5
149.09605	4.1
149.13242	21.8
153.12711	4.0
157.08594	10.4
157.10115	4.6
159.11682	11.6
163.11140	8.6
163.81447	1.5
165.12730	3.7
171.06534	1.8
171.10179	2.4
173.09555	2.2
173.11726	6.5
174.07652	1.5
175.11122	2.4
177.12840	7.6
181.12218	3.0
189.11208	4.1
191.10661	4.1
193.12274	5.8
195.12059	2.5
195.13788	18.4
199.09645	1.7
199.13297	17.2
205.68359	1.4
209.11655	8.4
211.13293	6.8
213.14807	2.7
217.14400	2.0
227.12659	7.6
229.14355	3.4
239.16327	2.8
255.16002	2.1
267.15982	10.7
269.17459	65.3
270.17850	2.2
283.15442	10.2
285.16898	7.1
301.16425	35.9
323.18512	2.5
335.17770	1.5
393.26263	4.8
411.27411	11.2
423.27286	23.9
424.27975	2.0
449.28946	5.6
461.28995	3.6
463.30536	2.6
477.28500	14.1
478.29169	5.5
495.29453	73.9
496.30109	3.7
513.29962	1.9
621.32898	2.5
639.33728	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	692.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.05507	16.9
57.03161	1.1
57.03430	16.4
59.04998	1.5
61.02918	4.4
65.03945	1.6
67.05500	25.2
68.96963	0.5
69.03423	5.6
69.07056	8.3
70.44390	0.5
70.46822	2.1
70.82839	0.6
71.01337	0.7
71.04987	5.7
73.02902	2.1
79.05486	25.8
81.03409	78.4
81.07046	33.4
83.04974	20.8
83.08611	29.8
84.03379	0.6
84.69033	0.6
85.02898	31.1
85.06541	2.4
91.03945	1.7
91.05470	38.9
93.07036	21.4
95.04960	32.7
95.08597	12.2
97.02872	5.7
97.06516	6.0
97.10150	5.1
99.04443	0.6
99.08096	1.5
103.05453	1.2
105.07021	28.5
107.04949	9.7
107.08593	8.7
109.06501	6.3
109.10170	3.9
111.04423	3.0
111.08066	11.7
113.06011	2.9
115.05434	2.2
116.06183	0.7
117.07024	2.7
119.04937	1.1
119.08573	23.0
121.06496	2.2
121.10128	12.5
123.08056	3.8
123.11671	2.5
125.09611	2.2
127.03957	0.6
127.07574	1.1
128.06238	0.6
129.06993	14.2
131.08556	13.0
131.09470	1.0
131.12172	0.5
133.06491	3.7
133.10117	14.5
134.24010	0.5
135.08047	1.0
135.11636	0.6
137.09628	2.7
141.07027	0.7
142.07756	3.7
143.08553	0.6
145.10110	2.8
147.04428	0.6
147.08040	5.0
147.11674	19.4
149.09599	8.3
149.10663	0.8
151.11131	0.8
155.08498	0.8
157.10120	18.4
163.11198	1.1
165.12709	5.3
175.11169	20.3
184.07376	0.8
189.11232	1.3
193.12227	61.9
194.12520	1.2
211.13274	100.0
212.13663	1.7
229.14224	0.8
233.15309	0.6
249.14828	1.0
267.15894	40.4
268.16129	0.8
285.16934	81.6
286.17184	2.0
305.92542	0.6
349.21503	1.1
367.22565	3.1
385.23773	4.6
403.24606	1.1
433.25781	1.1
441.26291	1.5
449.28961	0.7
459.27362	21.2
460.27783	0.8
477.28452	26.4
478.28964	1.0
495.29507	65.8
496.29709	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	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
55.05505	11.9
57.03428	10.9
57.34776	0.9
60.48311	0.9
61.02908	2.2
65.77181	1.2
67.05499	25.5
69.03427	2.8
69.07063	10.9
71.04980	5.5
71.46520	2.4
72.00908	1.0
73.02917	1.6
79.05485	20.7
81.03411	38.4
81.03887	2.6
81.07049	63.8
82.07349	1.5
83.04976	10.8
83.08610	20.9
85.02904	14.0
85.06519	4.4
91.03968	1.3
91.04927	1.8
91.05476	29.6
93.07039	18.5
95.04964	15.0
95.08606	16.0
97.02877	4.3
97.06514	6.6
97.10174	2.1
99.04401	1.5
99.08072	3.5
105.07021	30.7
107.04952	4.0
107.08585	14.0
108.92654	1.0
109.06474	5.1
109.10120	4.1
111.04440	2.1
111.08067	7.4
113.06051	1.6
115.05374	1.3
117.07004	2.0
119.04953	1.2
119.08566	27.8
121.06480	1.6
121.10127	15.7
123.08060	3.0
123.10885	1.5
123.11695	17.8
125.09624	1.7
127.03922	1.0
127.07533	2.0
129.06961	6.0
131.08560	8.7
133.06485	1.4
133.10124	8.9
135.11676	1.9
142.07710	1.4
145.10075	3.8
147.08032	2.3
147.11671	45.1
149.09520	2.5
149.89679	1.4
157.10100	9.9
159.11697	1.2
163.11160	1.6
165.12726	17.3
175.11156	11.6
190.27434	1.3
193.12218	32.3
209.11504	1.2
211.13277	44.8
229.14301	5.6
254.38258	1.2
267.15887	79.9
268.16208	1.8
269.17517	3.3
283.15323	2.8
284.53287	1.2
285.16937	100.0
286.17340	2.6
301.16455	1.4
364.28845	1.0
433.29367	2.9
454.21646	1.3
459.27362	5.1
461.28937	2.6
477.28448	26.5
495.29507	88.4
496.29822	3.5
596.07977	1.2
619.24359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01865	17.3
55.05509	37.2
57.03164	2.0
57.03429	25.7
57.07068	5.1
59.04993	2.7
61.02922	12.7
65.03905	2.6
67.05500	79.2
69.03417	5.3
69.07059	26.8
69.60205	1.6
71.04991	8.7
71.32106	2.5
73.02898	7.9
77.03875	1.7
79.05024	2.8
79.05483	50.0
80.08469	1.2
81.03410	23.0
81.07049	100.0
82.04187	3.6
83.04984	15.6
83.08612	24.0
84.95906	1.3
85.02892	12.0
85.06524	6.3
87.04469	2.2
91.03943	3.7
91.05470	43.9
93.07038	64.0
94.07328	1.5
95.04951	20.8
95.08601	25.1
97.02887	8.8
97.06517	17.8
97.10152	15.7
98.07308	6.4
98.81971	1.3
99.04445	2.3
99.08059	3.6
105.07030	15.8
105.88661	1.4
107.04977	7.7
107.08582	38.5
109.06509	4.6
109.10145	19.3
111.04395	4.1
111.08074	10.1
116.04698	11.3
117.07014	12.9
119.08576	11.1
121.06477	4.3
121.10135	16.2
123.08043	4.9
123.11680	6.2
125.09613	20.0
126.11935	1.6
127.03884	2.0
127.11186	2.4
129.04559	2.9
129.05476	35.6
129.07016	4.0
131.08553	15.9
133.10110	24.3
135.08032	6.2
135.11678	13.5
136.95589	1.5
137.09622	4.4
139.11102	1.3
143.07027	7.0
143.10712	2.6
145.10114	6.1
147.04391	1.9
147.08023	1.8
147.11649	6.4
149.09624	3.0
149.13240	20.9
151.11102	3.5
153.09070	3.0
153.12737	2.1
157.08589	15.9
157.10091	3.7
159.11661	13.5
163.11185	10.9
165.12698	1.9
171.06519	3.9
171.10162	5.6
173.09650	2.6
173.11697	5.4
175.11186	2.5
177.12729	5.7
181.12167	2.7
184.07339	1.3
189.11218	6.3
191.10692	3.1
193.12199	7.7
195.13791	24.4
199.13264	18.2
200.14075	3.3
209.11682	7.6
211.13237	3.9
213.14917	3.0
227.12749	11.5
229.14319	4.6
251.16367	1.6
255.15930	4.3
267.15945	8.5
269.17447	84.2
270.17841	3.3
283.15369	11.0
285.16714	1.8
301.16440	67.7
302.16360	1.6
318.40552	1.5
323.18582	4.1
366.55865	1.5
393.26321	5.3
404.92950	1.8
411.27490	10.1
423.27377	25.5
424.27954	2.8
437.28964	3.8
443.95837	1.4
459.27341	3.3
461.28851	5.4
463.30389	2.3
477.28430	8.8
478.29205	4.2
495.29361	87.5
496.30017	3.0
508.53149	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03711	3.1
53.03939	15.8
53.27816	3.1
53.48820	3.1
55.01866	8.1
55.05506	29.8
56.08624	3.1
57.03415	9.8
57.07057	6.6
61.02913	4.0
61.53588	4.0
65.03925	6.5
67.05499	86.8
69.03415	32.0
69.07062	22.5
71.04988	11.0
71.72230	4.7
79.05482	49.8
81.03410	72.8
81.07047	100.0
83.04977	13.4
83.08616	17.4
85.02888	17.5
85.06525	3.6
91.05468	52.5
93.07037	40.9
95.04982	24.7
95.08595	56.8
96.50069	3.3
97.02879	21.0
97.06506	6.4
97.10162	8.2
99.04437	4.5
99.08062	4.3
105.07017	33.7
107.04958	8.2
107.08574	23.9
109.02858	9.8
109.06524	5.6
109.10148	27.8
111.04427	9.7
111.08050	8.6
117.06990	17.1
119.08579	28.1
121.06469	4.8
121.10129	21.5
123.04428	7.5
123.08078	4.7
123.11685	8.2
127.03925	12.1
129.05455	4.3
129.07019	10.9
131.08539	15.5
133.06485	4.4
133.10109	19.2
135.11667	14.6
137.09642	3.3
143.08499	4.6
145.10081	20.0
147.08034	3.1
147.11682	19.6
147.30078	3.3
149.09578	5.5
149.13225	5.5
155.08511	4.3
157.10114	14.9
159.11693	8.9
161.13255	6.8
163.11194	4.6
165.12807	6.5
169.10059	5.0
171.11597	5.3
173.04362	4.3
173.13237	4.1
175.11156	5.1
183.11661	6.6
184.07268	5.7
187.14842	5.1
191.10600	3.6
193.12225	24.2
211.13292	23.7
230.41011	3.8
247.16861	3.7
267.15979	5.8
269.17517	5.2
275.19949	3.8
285.16974	9.1
303.23230	4.7
334.64163	3.4
337.27206	11.3
355.17529	5.0
371.25607	8.6
389.27084	3.8
411.20111	6.3
455.54572	4.0
463.30057	5.0
529.39038	34.7
547.39581	7.0
637.40491	6.0
655.41919	4.6
673.42615	6.0
691.43988	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	691.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.2
54.75520	3.6
55.01860	9.4
55.05502	38.8
55.66784	4.1
57.03418	11.3
57.07051	7.0
61.02927	5.5
61.75539	3.2
65.03939	6.5
67.05501	90.5
69.03419	29.4
69.07066	32.2
69.48907	24.0
69.49322	11.4
71.05008	20.8
73.02900	4.7
79.05488	64.7
81.03408	93.6
81.07050	100.0
83.04971	18.4
83.08601	26.8
85.02912	19.6
85.06521	6.2
91.05476	57.0
93.07040	57.3
95.04968	34.7
95.08601	64.5
97.02895	25.2
97.06503	11.4
97.10148	12.9
99.04461	6.1
105.07016	45.5
107.04943	11.3
107.08577	35.4
109.02877	15.5
109.06506	13.7
109.10119	22.7
111.04427	8.8
111.08049	8.7
117.07004	17.2
119.08590	34.8
121.06503	8.6
121.10148	25.3
123.04445	7.3
123.08020	4.1
123.11709	10.6
125.09621	5.5
127.03911	11.3
129.05460	7.4
129.07025	9.1
131.08522	29.2
133.10114	21.7
135.08116	4.7
135.11687	13.0
137.09586	8.3
143.08548	8.8
145.06465	5.8
145.10146	19.2
147.11723	20.5
149.09624	10.7
149.13272	6.5
155.08508	6.4
157.10097	12.7
159.11688	10.9
161.13274	9.3
163.11198	7.6
165.12735	4.6
169.10075	4.9
171.11629	6.0
173.04449	5.2
173.09645	4.9
173.13254	8.0
175.11243	6.5
175.14897	4.7
183.11752	5.2
184.07231	5.0
187.14777	4.9
193.12173	22.0
199.14825	6.0
211.13286	42.4
267.15881	10.9
273.14767	7.3
337.27390	11.4
371.25711	7.3
389.26627	4.2
411.20023	7.7
437.33926	5.9
529.39050	44.2
547.40057	6.0
655.41852	4.1
673.42834	11.3
691.44232	46.5
692.44928	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	691.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63792	3.7
53.03930	10.2
53.21494	3.6
55.01862	10.9
55.05507	31.6
57.03428	10.1
57.07066	5.0
61.02895	4.0
65.03902	4.0
67.05499	83.9
69.03417	24.3
69.07064	26.4
69.85078	14.8
69.85480	7.4
71.04971	9.3
71.92433	3.2
73.59115	3.3
79.05483	52.5
81.03410	99.2
81.07046	100.0
83.04974	19.3
83.08618	19.6
85.02894	15.2
91.05462	54.4
93.07036	44.3
95.04951	23.6
95.08599	55.3
97.02840	17.5
97.06538	8.8
97.10151	8.5
98.21412	3.7
99.04440	6.8
99.08064	5.5
103.05470	4.5
105.07025	38.4
107.04934	6.3
107.08598	30.3
109.02879	16.4
109.06561	4.1
109.10147	21.9
111.04415	12.6
111.08080	9.4
111.64934	3.8
117.07004	12.7
119.08563	29.1
121.10139	17.2
123.11681	13.0
125.09549	5.4
127.03939	11.5
129.06996	10.7
131.08553	21.6
133.06403	6.1
133.10127	20.0
135.08022	5.0
135.11681	8.8
141.06972	6.3
143.08577	8.4
145.10133	12.2
147.11691	15.8
149.13199	5.1
157.06410	4.2
157.10103	11.7
159.11694	10.3
161.37900	3.5
163.11217	9.0
165.12775	5.0
171.07907	4.5
175.11208	11.0
181.12314	5.2
191.10785	4.9
193.12254	34.0
199.14751	4.1
211.13271	36.9
267.15930	7.8
285.17017	5.7
335.25977	4.4
337.27380	13.1
353.24725	4.0
407.27713	6.0
411.19962	6.9
445.29669	4.6
463.30606	5.2
529.38989	29.9
547.39478	11.1
673.42053	6.2
691.44025	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	691.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65610	2.4
53.03937	9.6
55.01870	6.4
55.05504	27.0
57.03434	12.0
57.07079	3.3
57.63172	2.0
65.03923	7.1
67.05500	86.0
68.90233	2.1
69.03424	22.4
69.07063	23.6
71.04980	9.4
73.02907	2.9
79.05491	50.5
81.03415	47.2
81.07050	100.0
83.04978	23.6
83.08607	15.6
85.02891	8.0
85.06538	4.3
86.09752	2.3
87.04426	2.6
91.05473	42.6
93.07040	61.6
95.04949	17.8
95.08603	52.0
97.02895	16.8
97.06510	7.1
97.10159	4.1
99.04435	6.4
99.08102	2.7
103.05521	2.6
105.07019	39.2
107.04945	5.5
107.08583	32.9
109.02868	9.5
109.06529	5.6
109.10154	21.4
111.04432	6.6
111.08062	5.5
117.07008	21.3
119.08569	26.1
121.06474	6.2
121.10139	24.6
123.08067	2.7
123.11675	10.1
127.03899	8.4
128.06236	3.8
129.05476	7.0
129.07010	10.2
131.08568	23.0
133.06543	5.4
133.10130	15.6
135.08041	3.3
135.11684	16.9
137.09586	3.5
143.08549	10.1
145.06425	5.0
145.10094	11.3
147.08061	2.9
147.11702	18.6
149.09613	4.0
149.13232	14.9
151.11118	2.7
155.08560	6.5
157.10118	9.1
159.11684	19.0
161.09689	3.4
161.13242	9.1
163.14737	3.3
165.12747	5.7
169.10060	3.9
171.11674	8.6
173.13213	8.7
175.11208	3.5
175.14738	4.2
177.12779	6.0
181.10152	2.6
183.11710	5.6
184.07298	4.2
185.09589	3.5
185.13313	5.0
187.14783	4.2
193.12109	2.4
195.13788	10.3
195.45201	2.1
197.13225	3.5
205.12247	2.4
225.49731	2.6
261.22250	5.6
267.15863	9.2
269.17426	23.4
277.21558	2.5
293.30923	2.3
301.21680	4.3
303.23032	3.0
333.24677	2.3
335.25821	12.6
337.27499	4.1
341.24515	2.4
345.24304	2.8
351.23157	4.9
369.24219	9.6
375.24902	2.4
387.25180	5.3
405.26495	3.1
411.20175	5.2
413.21512	3.1
461.29022	5.6
479.29803	6.5
529.39020	19.3
625.41010	2.9
637.40961	2.7
655.41632	3.8
673.43048	16.3
691.44019	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	691.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.5
55.01867	6.5
55.05506	29.0
57.03436	14.9
57.05855	2.7
57.07070	5.1
65.03935	7.1
67.05146	5.0
67.05502	96.4
69.03416	21.6
69.07065	26.7
70.39661	7.1
70.40061	6.4
71.04981	10.5
79.05485	56.5
80.39885	2.4
81.03418	70.4
81.07050	100.0
83.04982	27.1
83.08621	17.3
85.02887	7.7
85.06517	4.8
91.05476	49.3
93.07039	78.8
95.04964	15.3
95.05469	2.4
95.08600	58.5
97.02884	26.9
97.06528	11.3
97.10149	8.3
99.04437	7.5
99.08085	4.1
105.07030	40.4
107.04948	7.3
107.08585	38.6
109.02885	12.8
109.06499	10.3
109.10142	26.4
111.04449	7.2
111.08062	4.6
111.11658	2.7
117.07002	16.1
119.08570	34.5
121.06554	4.4
121.10136	25.9
123.08030	2.9
123.11689	13.9
125.09633	4.3
127.03911	8.0
128.06233	4.3
129.05493	9.3
129.06970	9.7
131.08568	29.2
133.06506	3.7
133.10130	18.6
135.08005	6.1
135.11670	12.4
137.13165	2.7
143.08562	11.1
145.06502	4.5
145.10115	20.2
147.07977	2.8
147.11664	28.8
149.09651	6.7
149.13232	18.7
153.05634	2.7
153.06895	3.2
155.08510	6.5
157.10127	8.6
159.11676	17.5
161.09641	3.3
161.13255	10.0
165.12770	9.4
169.10063	3.8
171.11729	5.3
173.13274	10.3
175.11147	4.5
177.12791	9.0
177.74486	2.6
181.10078	4.5
183.11670	5.3
185.13251	8.1
187.14839	5.1
195.13771	8.8
257.12106	2.5
259.20520	3.7
261.22086	9.4
262.74780	3.1
263.23767	3.8
267.15991	18.4
269.17395	22.7
301.21695	4.3
303.22949	4.5
312.28238	3.1
335.25937	14.5
337.27277	10.9
339.17960	3.5
351.23230	4.4
369.24240	9.9
387.25272	6.0
405.26462	3.0
411.20215	5.2
413.21762	4.5
443.27902	5.1
479.29828	4.7
529.38940	18.5
547.40009	5.8
603.04285	3.0
655.41333	8.2
673.43091	15.3
691.43256	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05505	8.7
57.03432	14.5
57.07073	18.3
61.02906	3.6
65.03941	1.5
67.05156	1.7
67.05504	26.9
69.07069	9.7
71.01342	2.7
71.04994	1.9
71.08627	13.4
71.13778	1.2
78.71735	1.4
79.05490	20.3
80.72229	1.4
81.03400	2.0
81.07046	18.1
83.04967	5.9
83.08621	6.3
84.04824	1.4
85.02907	1.8
85.10186	7.5
86.09698	3.8
89.05986	1.8
91.05453	8.4
93.07040	24.1
95.04976	3.0
95.08600	14.8
97.06512	6.1
97.10148	8.6
98.20603	2.5
98.58803	1.3
105.07056	1.7
107.08585	17.8
109.10142	4.6
111.08039	1.7
117.07054	2.2
119.08506	1.5
121.10123	3.9
125.00021	2.6
133.10129	2.4
135.11676	37.3
145.10094	4.7
149.20927	1.3
149.93274	1.4
152.80722	1.3
163.11189	4.9
169.41612	1.4
174.51167	1.4
181.12286	7.3
184.07335	17.7
199.13338	2.6
255.15904	100.0
256.16428	1.8
295.36917	1.4
313.27350	49.0
314.28043	1.7
347.92264	1.7
416.42828	1.5
493.38895	82.1
494.39343	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	690.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.6
60.08160	6.7
61.75159	0.4
66.09679	0.3
67.05452	0.3
70.78856	1.1
71.07371	3.2
75.74468	0.3
81.07047	0.4
81.50719	0.3
86.09700	29.7
91.05476	0.4
93.07016	0.4
95.08558	0.4
98.98457	2.9
104.10726	2.6
124.99997	19.0
134.23769	0.3
135.87292	0.3
143.35530	0.4
184.07336	100.0
185.07730	0.8
355.51770	0.4
488.48639	0.4
690.46863	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	690.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01867	5.8
55.05510	16.1
57.03436	13.6
57.07078	0.6
59.04989	2.2
61.02929	3.9
65.03960	0.7
67.05497	18.5
67.36252	0.7
69.03423	3.9
69.07066	5.3
70.10300	1.7
70.10706	1.5
71.01344	1.2
71.04991	4.8
73.02887	0.7
79.05489	21.4
79.57307	0.6
81.03413	44.4
81.07050	27.1
83.01338	5.0
83.04509	1.2
83.04977	14.0
83.08616	18.9
85.02898	16.2
85.06529	1.9
88.27526	0.6
91.03948	1.7
91.04924	1.3
91.05474	21.7
93.07036	22.5
95.04964	18.1
95.08598	9.3
97.02887	4.5
97.06525	4.0
97.10128	3.1
99.04438	1.7
105.07024	15.6
106.07379	0.9
107.04959	7.0
107.08576	10.9
109.06516	6.6
109.10120	3.1
111.04429	3.7
111.08071	7.2
113.05991	1.3
115.05427	1.4
117.07007	5.6
119.08577	15.4
121.06516	2.5
121.10132	9.6
122.39299	0.6
123.04427	0.7
123.08054	5.8
123.11710	1.2
125.06036	1.0
125.09611	1.2
125.22173	0.6
127.03887	0.7
128.06219	0.6
129.07008	6.5
130.07784	0.6
131.08559	10.3
133.06465	1.5
133.10120	6.8
135.08044	1.1
135.11694	6.4
137.09604	1.4
142.07724	0.8
145.06534	0.8
145.10124	10.0
147.08038	3.0
147.11673	7.8
149.09586	3.2
151.11237	0.9
153.12814	1.6
155.08539	0.9
157.10109	7.1
163.11177	13.5
165.12711	1.5
173.09633	2.1
175.11194	9.4
181.12273	2.1
184.07320	0.8
191.10672	1.8
193.12233	26.4
209.11795	3.8
211.13284	46.9
227.12778	4.6
265.14438	0.8
267.15900	12.8
283.15402	54.4
285.16953	37.8
305.96628	0.7
348.52670	0.6
383.22296	3.2
401.23151	1.3
419.24017	0.9
457.25903	4.4
461.28912	1.4
475.26990	16.0
493.27954	100.0
494.28241	2.4
560.40930	0.7
637.31488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99481	1.0
53.03940	3.4
55.01864	4.0
55.05504	15.3
57.03436	10.2
57.07045	1.3
61.02911	2.1
65.03960	1.1
67.05501	24.4
69.03434	4.7
69.07056	7.6
71.04976	5.4
73.02905	1.9
73.83131	1.0
79.05487	30.9
81.03410	40.8
81.07050	31.6
83.04980	9.5
83.08615	21.2
85.02899	17.2
85.06542	2.5
91.05475	24.6
93.07036	36.5
95.04963	21.4
95.08009	2.2
95.08596	30.7
97.02887	5.9
97.03410	1.0
97.06505	5.2
97.10169	3.3
99.04452	5.4
99.08074	1.2
105.07013	19.5
107.04958	11.1
107.08582	24.4
109.06502	4.5
109.10120	4.9
111.04430	3.1
111.08076	7.2
113.06021	2.5
113.09590	1.0
117.07024	8.2
119.08572	20.3
121.06524	5.3
121.10123	17.0
123.08073	2.9
123.11691	1.2
125.06005	2.3
125.09627	1.5
129.06981	6.8
130.07777	1.9
131.08551	7.6
133.06459	1.5
133.10149	11.1
135.08066	2.0
135.11681	45.7
136.11980	1.1
137.09630	1.8
139.03938	1.1
139.07532	1.8
142.07822	1.8
145.10109	26.8
147.08083	1.6
147.11667	10.2
149.09599	4.4
151.07451	1.2
153.12733	1.1
157.10092	9.4
163.11168	59.1
165.12761	2.4
175.11143	9.3
181.12164	9.0
193.12213	27.1
209.11722	1.4
211.13277	33.4
227.12761	70.8
249.14789	1.0
267.15903	28.9
283.15387	61.3
284.15753	1.3
285.16956	52.5
286.17465	1.8
389.31281	1.2
475.26895	33.1
476.26947	1.2
493.27930	100.0
494.28384	4.1
589.66296	1.1
702.48663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.1
55.01868	10.1
55.05507	33.9
57.03431	17.0
57.07054	4.4
61.02923	9.9
64.43794	1.7
64.89073	2.0
65.03928	5.0
67.05499	81.9
68.34637	1.7
69.03423	28.0
69.07059	26.7
70.92243	4.4
70.92606	3.0
71.01334	2.8
71.04984	10.0
73.02893	6.4
74.92293	2.1
77.03925	2.4
79.05486	71.4
81.03410	63.6
81.07049	100.0
82.07404	1.7
83.04975	16.6
83.08611	17.9
85.02888	17.9
85.06527	5.2
87.04421	2.1
91.03928	3.5
91.05471	68.0
93.07039	66.1
95.01287	2.4
95.04398	3.2
95.04959	39.4
95.08594	51.5
97.02885	26.1
97.06503	9.0
97.10175	8.7
98.21406	2.0
99.04434	7.6
99.08069	4.1
101.02351	2.3
103.03915	5.2
103.05450	5.8
105.07019	54.3
107.04976	11.3
107.08588	39.1
108.51263	1.7
109.02855	11.6
109.06543	9.0
109.10154	17.8
111.04431	6.7
111.08062	5.5
115.05421	3.8
117.07003	28.8
119.08566	42.3
121.06489	9.3
121.10128	31.4
123.04417	13.3
123.07994	4.3
123.11689	11.0
125.09631	2.7
127.03900	10.7
128.06183	6.6
129.05466	4.5
129.06982	20.8
130.07657	2.7
131.04900	8.3
131.08553	34.7
133.06468	6.8
133.10112	25.8
135.08047	6.9
135.11681	19.4
137.09566	3.5
141.05461	2.0
141.06952	10.0
142.07741	4.5
143.08548	23.1
145.06465	6.3
145.10120	29.2
147.04422	5.1
147.08018	5.6
147.11673	29.6
149.05937	4.0
149.09558	5.4
149.13239	13.5
151.11131	3.0
153.06992	2.3
154.07722	3.4
155.08566	12.9
156.09251	2.1
157.06444	5.4
157.10135	17.9
159.07999	5.6
159.11664	24.6
161.05913	2.6
161.09529	4.8
161.13312	11.3
163.11157	6.6
165.12804	10.3
167.08536	5.1
169.10089	13.4
171.11682	17.6
173.05972	1.8
173.09622	5.7
173.13203	14.1
175.11118	6.1
175.14775	5.2
177.12740	6.2
179.08505	4.2
181.10063	7.9
183.08012	1.8
183.11705	11.5
185.04434	10.6
185.09506	2.3
185.13219	11.4
187.11125	3.5
187.14758	4.2
189.12726	6.8
189.16162	2.0
191.10661	2.7
193.10085	3.1
193.12213	6.6
195.11613	7.6
195.13583	4.5
197.09573	3.0
197.13278	8.2
199.14864	4.5
201.12747	4.1
201.16417	3.2
201.97975	1.8
203.14413	2.2
205.10225	2.9
205.12093	3.0
207.11649	2.2
207.13676	2.5
209.13214	6.1
211.13095	3.7
211.14795	5.3
213.12862	2.5
217.12372	2.1
219.17360	2.4
221.13179	3.0
223.14894	3.1
225.12791	3.6
229.14314	3.3
235.13145	14.8
241.19498	6.1
243.21022	3.2
255.17323	2.5
257.18970	3.7
259.13232	6.2
259.20490	13.4
261.22165	6.4
267.15845	13.3
269.17462	7.4
271.09485	8.7
271.20468	3.2
273.14780	6.2
273.22119	3.5
277.14297	4.8
283.20471	2.8
285.16934	4.0
301.14273	10.8
301.21585	5.2
309.16922	2.9
309.21970	3.0
313.21768	2.3
319.15305	2.6
323.23859	2.4
325.21680	3.0
333.24072	6.0
335.25836	18.1
339.23065	2.9
349.21466	3.2
351.22925	3.4
361.58746	1.9
367.22546	4.2
369.24203	5.3
375.17828	3.7
385.23389	3.5
411.20132	5.9
413.21616	5.2
431.27808	1.8
435.32504	8.5
453.33536	2.8
459.27267	2.2
509.36142	4.7
525.35333	3.3
527.37250	77.1
528.37805	5.0
545.37744	3.7
551.37000	2.5
561.35364	3.2
569.38086	5.5
594.46924	1.9
611.39050	3.6
617.36981	2.3
635.38940	9.3
653.40436	13.7
671.41541	17.6
689.42456	31.7
690.42029	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	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
52.45916	0.7
53.03940	9.4
55.01870	6.1
55.05237	1.7
55.05504	30.4
57.03432	10.3
57.07056	3.1
57.40179	0.8
59.04995	1.3
63.09906	0.8
65.03939	5.6
67.05498	73.4
69.03421	33.2
69.07059	21.2
70.04424	3.4
71.01353	1.5
71.04987	10.4
71.08613	1.7
73.02891	1.3
77.03902	1.0
79.05486	68.5
81.03409	100.0
81.07045	75.9
81.07539	1.9
82.03751	1.0
83.04975	22.9
83.08611	25.0
85.02901	19.8
85.06532	3.8
87.04490	1.0
91.05469	65.6
92.05831	0.9
93.07034	66.9
95.04957	34.8
95.08593	46.9
96.08912	1.1
97.02884	21.3
97.06525	8.6
97.10142	6.6
99.04437	8.4
99.08082	2.6
101.05997	0.8
103.03966	1.1
103.05450	3.0
105.04515	1.5
105.07018	46.5
107.04951	8.4
107.08584	35.1
109.02872	19.7
109.03616	0.8
109.06519	8.5
109.10140	16.6
111.04436	12.5
111.08079	9.6
113.06001	1.9
115.05451	3.1
117.07007	18.8
119.04942	1.6
119.08563	36.7
119.09425	1.8
121.06512	4.9
121.10130	29.3
123.04427	3.5
123.08060	4.2
123.11671	5.9
125.06039	1.6
125.09625	3.8
127.03907	12.3
128.06227	2.4
129.05466	3.7
129.06985	19.0
131.04929	1.6
131.08559	28.6
133.06523	5.8
133.10109	22.1
135.04390	1.4
135.08061	3.7
135.11681	21.1
137.05975	1.9
137.09613	3.2
137.13237	1.1
137.80798	0.9
139.11168	1.2
141.07002	3.0
142.07793	3.0
143.08537	9.0
144.09248	0.9
145.05020	0.9
145.06508	3.7
145.10106	17.1
147.04387	1.1
147.08058	5.3
147.11667	26.5
149.05981	1.8
149.09599	7.9
149.13245	7.1
151.07527	0.9
151.11179	1.5
153.06976	1.1
153.09193	1.1
153.12720	1.9
154.07782	1.2
155.08548	5.1
157.06548	1.7
157.10120	16.8
159.08089	3.0
159.11678	11.9
161.09604	3.9
161.13223	6.1
163.11194	6.4
163.14830	1.5
165.12721	6.4
166.07872	0.8
167.07126	1.4
167.08580	2.4
168.09427	0.8
169.10193	4.1
169.11809	0.8
171.08049	1.6
171.11662	7.3
173.04431	4.9
173.09651	2.7
173.13223	7.6
175.11154	16.1
175.14822	2.6
177.12730	1.6
177.16454	0.9
179.14307	3.6
181.10143	2.5
181.12234	3.8
183.06566	1.1
183.11588	4.0
184.07236	0.9
185.09601	1.6
185.13231	4.6
187.11211	2.1
187.14830	3.5
189.11160	1.0
189.12701	2.0
189.23981	0.8
191.10631	5.6
191.14314	1.3
193.12224	46.5
195.11745	3.0
197.09721	1.1
197.13284	2.4
199.06044	1.2
199.11179	2.8
199.14827	3.2
201.12775	1.5
201.16449	1.6
207.11693	1.2
209.13310	1.9
211.13258	60.8
212.13589	1.1
213.12900	1.8
213.16539	1.6
215.14348	1.3
217.12267	1.1
227.12639	6.1
229.14305	1.8
233.15436	1.2
235.13226	1.5
237.12776	1.1
243.21089	2.9
249.14743	1.9
259.20615	2.7
261.22070	6.7
265.14282	1.2
267.15897	8.7
273.14966	1.1
273.18558	1.1
277.21576	4.2
283.15320	1.7
283.20663	1.3
285.16965	8.1
285.21957	2.1
301.21704	4.6
303.23236	1.6
313.21671	1.3
315.19400	1.0
317.24942	2.0
319.15402	1.4
323.23682	1.8
325.21738	1.5
327.23203	1.7
335.25824	12.8
337.16418	2.8
341.24765	2.5
342.15317	1.0
345.24261	1.9
351.22949	5.4
355.17358	8.7
363.25562	1.1
369.24072	7.7
380.59583	0.9
387.25354	4.6
389.26898	1.2
393.19135	1.3
405.26300	3.3
411.20154	5.0
435.32700	1.3
443.28061	3.6
453.33563	1.8
461.29037	3.5
511.45007	0.9
527.37244	12.4
545.38086	9.7
569.38361	1.5
615.39063	1.5
653.40161	5.2
671.41437	6.8
689.42523	62.3
690.42590	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	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.5
55.01864	8.4
55.05504	34.4
57.03437	16.2
57.07065	4.6
59.04983	1.5
61.02917	4.0
65.03927	6.0
67.05500	94.8
68.05836	1.5
69.03422	34.5
69.07063	25.3
70.13834	4.9
71.01363	2.9
71.04987	11.8
73.02901	2.4
79.05488	78.5
81.03410	100.0
81.07050	93.1
82.03750	1.6
82.07388	2.6
83.04970	21.6
83.08615	19.7
85.02901	19.6
85.06542	3.5
91.05473	75.3
92.05779	1.6
93.07037	71.8
95.04955	37.1
95.08601	52.1
96.08966	1.7
97.02885	26.5
97.06532	11.6
97.10166	8.3
98.21416	1.7
99.04469	7.2
99.08096	2.2
101.02400	1.6
103.03952	2.7
103.05455	3.5
105.04533	2.6
105.07019	56.4
107.04942	14.2
107.08582	38.0
109.02887	18.2
109.06510	10.6
109.10158	18.9
111.04431	11.3
111.08075	7.6
113.05938	2.0
115.03931	2.1
115.05466	5.7
117.07008	23.5
119.04946	2.5
119.08575	39.2
120.08894	1.4
121.06535	7.2
121.10136	30.1
123.04427	5.7
123.08064	5.5
123.11706	6.7
125.06025	2.3
125.09613	5.5
127.03901	12.3
128.06232	4.7
129.05470	4.1
129.07001	21.7
131.04951	7.7
131.08559	35.9
131.09453	2.8
131.45717	1.5
133.06499	6.1
133.10118	25.1
135.04373	1.5
135.08081	5.0
135.11699	14.7
137.05991	2.4
137.09586	3.0
141.07010	5.3
142.07802	4.4
143.08540	15.2
145.06487	4.6
145.10107	26.4
147.04414	3.1
147.08055	7.5
147.11676	27.8
149.06065	2.4
149.09630	6.3
149.13248	9.4
151.11145	2.0
153.12732	3.2
155.08498	8.5
157.06468	3.4
157.10101	22.5
159.08060	4.1
159.11702	18.1
161.05873	2.0
161.09644	5.0
161.13243	8.3
163.11185	8.0
163.14806	1.9
165.07106	1.8
165.12762	6.4
166.07777	2.1
167.08604	4.8
169.10141	9.6
171.08044	2.7
171.11652	11.7
173.04462	4.6
173.09596	3.3
173.13181	9.3
175.07632	1.8
175.11169	10.5
175.14847	2.4
177.12749	3.9
179.10471	1.6
179.14413	1.3
181.10178	5.4
181.12245	2.9
183.06602	1.9
183.11693	8.5
185.04414	2.6
185.13165	9.3
187.11189	2.3
187.14830	5.4
189.09169	1.4
189.12738	3.8
191.10773	4.4
193.12222	30.3
195.06566	5.5
195.11740	6.3
195.13565	1.6
196.06923	1.7
197.13303	5.4
199.11247	1.6
199.14874	4.6
201.12843	2.0
203.14359	2.0
207.11696	2.1
209.13220	3.9
211.13222	29.0
213.12808	2.2
217.15764	1.6
223.14948	1.9
227.12761	4.1
229.12236	2.3
229.14278	2.9
230.54900	1.6
235.13237	7.0
237.16585	1.9
241.19673	2.1
243.21112	1.9
249.14777	2.5
259.20593	5.2
261.22183	6.6
267.15820	10.0
269.17554	2.0
273.14703	4.4
275.20084	2.1
277.21671	2.5
285.17087	7.8
297.22192	1.8
299.12823	5.7
300.13205	4.8
301.14334	4.1
301.21674	4.2
303.15952	1.6
315.22974	1.9
319.15451	1.9
327.23175	3.3
333.24307	1.6
335.25858	14.6
337.16318	3.7
341.24664	2.4
351.23257	5.9
355.17529	4.4
369.24112	6.9
387.25168	2.3
393.19061	2.7
405.26578	2.2
411.20187	5.5
435.32971	5.0
443.27771	2.9
453.33514	2.2
461.29086	4.7
509.36395	2.7
525.35999	1.6
527.37354	37.5
545.38483	10.4
579.35779	1.7
635.39734	4.6
653.40234	8.3
671.41699	10.2
689.42474	53.5
690.43292	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	689.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
51.21450	0.8
53.03938	9.1
55.01868	7.8
55.05505	31.3
57.03429	13.8
57.07063	3.2
59.05001	1.4
61.02915	1.7
61.42357	0.8
65.03931	5.2
67.05499	74.7
68.05831	1.6
69.03422	32.8
69.07059	23.4
71.01358	1.6
71.04987	10.9
71.08627	1.8
71.45911	1.8
73.02898	3.1
73.06574	1.0
77.03927	2.2
79.05485	66.9
80.05824	1.0
81.03409	100.0
81.07047	81.0
82.03757	1.1
83.04971	23.9
83.08614	21.5
85.02892	16.1
85.06530	3.9
87.04482	1.8
91.05470	69.7
93.07034	64.5
94.07347	1.8
95.01314	1.0
95.04498	0.6
95.04957	32.0
95.08597	46.9
97.02876	23.3
97.06522	9.0
97.10164	6.9
99.04442	6.6
99.08091	3.2
101.02351	1.2
102.24918	1.0
103.05471	2.3
105.04539	2.2
105.07020	51.3
107.04950	8.4
107.08578	35.0
108.08905	1.3
109.02871	15.5
109.06523	8.6
109.10142	18.6
111.04435	13.3
111.08068	11.1
113.06007	2.9
115.03902	1.1
115.05465	3.5
116.06242	1.7
117.07004	17.2
119.04912	1.4
119.08566	41.0
121.06473	6.1
121.10125	29.7
121.10975	2.0
123.04455	2.2
123.08034	4.6
123.11674	7.1
125.09619	2.9
127.03888	13.5
128.06218	2.9
129.05479	3.7
129.06990	17.5
129.07866	1.8
130.07811	1.6
131.04909	2.2
131.08554	29.3
133.06488	6.4
133.10110	23.8
135.08025	4.5
135.11678	16.8
137.05956	1.5
137.09584	2.6
137.13240	1.4
139.11137	1.2
141.06979	5.6
141.09067	1.6
142.07777	4.4
143.08531	9.7
145.06496	3.2
145.10117	20.3
147.08040	5.4
147.11667	25.0
149.06041	1.1
149.09598	7.7
149.13234	8.3
151.11174	2.6
153.07010	1.2
153.12819	2.4
153.95091	0.9
155.08517	5.9
157.06516	1.7
157.10103	16.0
159.08049	1.9
159.11673	13.2
161.09613	3.5
161.13235	7.7
163.07523	1.7
163.11159	6.5
163.14857	2.1
165.06902	1.2
165.12732	6.0
167.08624	2.2
169.10121	6.6
171.08119	2.2
171.11673	8.2
173.04410	5.3
173.09621	2.5
173.13196	6.9
175.07605	1.1
175.11153	11.8
175.14859	3.1
177.12743	1.5
177.16431	1.0
179.08595	1.2
179.14352	1.3
180.09517	1.3
181.10167	3.7
181.12231	3.8
183.06535	1.1
183.11650	4.5
185.04483	3.8
185.09547	1.6
185.13242	6.8
186.04802	1.1
187.11230	2.4
187.14784	3.2
189.16516	1.1
191.10675	5.1
193.02339	1.0
193.10323	2.1
193.12225	38.8
195.11726	3.5
195.13838	2.0
197.09740	1.2
197.13298	4.4
199.11293	2.6
199.14842	3.6
201.12820	2.3
201.16420	2.1
207.11752	1.6
209.13330	3.7
211.11285	2.0
211.13258	52.8
212.13858	1.0
213.12811	1.2
213.16499	1.9
215.14514	1.0
217.15953	1.1
221.13277	1.6
221.15492	1.0
223.14827	2.2
223.32010	1.1
225.16443	1.2
227.10786	1.0
227.12660	5.4
231.32727	1.0
241.19504	1.2
243.21031	2.2
249.14819	1.9
259.20602	4.1
261.22110	6.4
265.14529	1.4
267.15866	8.9
269.17551	2.9
273.14954	2.8
273.22287	1.4
275.20392	1.2
277.21573	4.8
285.16962	5.6
289.22012	1.3
291.19696	1.3
297.22272	1.1
299.12808	2.0
299.20084	1.2
300.13129	1.4
301.14258	1.3
301.21710	3.2
313.10748	1.0
313.21701	2.2
315.23468	2.0
317.24625	1.2
319.15454	1.3
319.22559	1.7
323.23752	1.3
325.21613	1.1
327.23145	2.5
333.24500	1.8
335.25839	15.3
337.16495	3.1
339.17999	0.9
339.23062	1.4
341.24637	2.3
345.24371	2.1
351.23352	3.6
354.57837	0.9
355.17505	7.8
369.23962	5.1
371.25702	1.2
387.25162	4.5
389.27444	1.1
393.19028	1.1
405.26437	2.6
411.20154	4.7
417.31546	1.1
435.32880	1.9
443.28180	3.3
453.33813	2.3
461.29102	3.9
525.35803	1.2
527.37292	20.9
545.38275	11.7
546.38171	1.3
635.39227	3.1
653.40277	5.8
671.41290	6.4
688.52148	1.1
689.42487	65.0
690.42694	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	689.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01853	0.9
55.05498	1.2
57.03422	0.5
60.44473	0.3
65.03928	0.7
67.01857	0.3
67.05496	4.3
68.99786	4.3
69.03411	1.1
69.07055	0.9
71.04972	0.8
71.71547	0.4
79.05476	2.5
81.03414	3.5
81.07042	4.2
83.04958	0.6
83.08621	0.8
86.09660	0.5
91.05460	2.5
93.07022	1.8
95.04944	1.4
95.08604	1.6
97.02879	0.7
97.06481	0.4
97.10118	0.3
99.04436	1.0
103.05453	4.8
105.06355	0.3
105.07025	5.2
107.04915	0.7
107.08586	1.4
109.02869	0.5
109.06474	0.5
109.10130	0.8
111.04404	0.3
115.05398	0.4
117.07016	0.7
119.08564	1.5
121.06455	0.5
121.10114	1.0
123.08044	0.3
127.03863	0.4
129.07007	0.6
130.99750	0.6
131.04915	15.3
131.08557	1.0
133.10115	1.2
135.08018	0.5
135.11684	0.5
141.06964	0.5
143.08522	0.5
145.10129	0.8
147.11630	0.6
149.13194	0.4
155.08592	0.5
157.10150	0.4
159.11641	0.4
167.03291	1.9
167.08502	0.6
169.09988	0.3
171.08078	0.3
171.11688	0.5
183.06516	2.1
183.11633	0.5
184.07318	0.8
185.04439	100.0
186.04785	1.0
187.04808	0.3
191.08551	0.4
193.10078	0.3
197.08066	1.9
205.10228	0.3
219.08018	2.2
225.05269	0.4
229.08591	1.2
253.08455	0.6
257.08081	0.4
271.09622	53.2
272.09995	0.4
313.10645	8.8
324.65073	0.3
331.11716	2.6
345.13327	2.3
352.98615	0.3
401.13824	0.3
442.70032	0.3
462.11322	0.3
527.37250	1.3
562.97382	0.3
689.41779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01859	6.9
55.05509	15.8
57.03422	9.2
57.07067	1.9
58.29073	1.6
61.02904	2.2
65.03925	3.4
67.05501	50.2
69.03419	4.9
69.07065	15.7
70.26446	4.0
70.26863	7.7
71.05009	4.2
75.09135	2.0
79.05491	47.6
80.05791	2.6
81.03410	15.7
81.07053	59.5
83.04967	10.8
83.08601	9.8
85.02891	4.6
91.05478	39.8
93.07037	40.6
94.07379	2.2
95.04964	17.4
95.08593	18.6
97.02915	3.9
97.06527	4.5
97.10156	5.0
98.21368	3.4
99.08068	2.4
103.05450	2.8
105.07025	33.1
107.04941	4.5
107.08585	19.0
109.06488	6.3
109.10162	4.9
111.04438	3.2
111.08047	3.0
117.07012	7.5
119.08582	26.4
120.15165	2.2
121.06507	3.3
121.10125	13.2
123.08125	4.7
123.11703	11.5
125.09618	4.1
129.07008	9.4
131.08559	7.1
133.06485	2.5
133.10130	7.8
135.11694	3.1
143.08534	6.9
145.06453	3.5
145.10144	10.5
146.10588	1.9
147.11673	37.5
149.09549	2.1
149.13271	3.6
151.49763	2.2
157.10127	4.9
159.11624	3.6
161.09634	4.0
161.13260	5.5
165.12741	9.4
169.10124	2.1
171.11678	14.6
172.11722	2.2
175.11069	2.2
184.07297	3.0
185.13170	2.3
189.12764	4.9
193.12276	2.8
195.13829	3.0
207.13818	16.9
211.13315	2.3
223.13275	6.0
267.15921	26.9
269.17444	10.6
281.17447	49.5
285.16998	18.0
297.16840	8.4
423.27338	4.1
459.27408	4.5
491.30002	100.0
492.30511	4.7
526.35809	2.8
688.41675	9.3
705.50116	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	688.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.05523	0.5
67.05493	2.3
68.69236	0.4
68.99778	2.2
69.07056	0.7
70.57856	1.4
75.84834	0.4
79.05479	1.0
81.03403	2.0
81.07053	4.1
83.01334	2.2
87.45296	0.4
87.87103	0.4
91.05476	1.3
91.30851	0.4
93.07027	1.0
95.04955	1.0
95.08594	0.7
97.06530	0.5
99.04453	0.6
103.05432	2.2
105.07029	4.6
107.08522	0.7
109.06490	0.7
109.08236	0.4
119.08561	0.6
125.06019	0.8
127.07529	2.1
129.06990	0.7
130.99777	0.7
131.04918	10.7
133.10127	0.6
149.05963	1.0
152.04680	0.5
153.05467	0.8
167.03319	2.3
167.06891	0.7
177.05392	0.6
185.04443	100.0
186.04823	1.3
195.06526	18.0
197.08064	1.0
199.73981	0.4
205.53308	0.4
213.07536	5.9
219.08069	0.5
229.08563	1.6
253.08611	0.7
269.17529	0.7
271.09637	48.4
272.10043	1.3
274.59738	0.4
278.52206	0.5
299.12762	18.0
300.13245	0.6
313.10687	18.8
314.11432	0.5
331.11664	5.2
345.13303	15.4
373.53458	0.4
491.33542	1.5
555.09174	0.4
595.66467	0.5
666.81207	0.4
688.40924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.2
53.22707	1.0
55.01870	13.1
55.05247	1.6
55.05504	22.0
57.03429	3.8
57.07065	2.5
65.03934	3.8
65.32870	1.1
67.05499	58.7
69.03420	13.6
69.07062	37.5
70.39010	1.1
71.04987	6.6
71.72237	1.7
79.05030	2.7
79.05486	49.1
81.03412	44.5
81.03893	1.9
81.07050	85.8
83.04975	14.9
83.08617	13.7
85.02891	4.3
85.06524	3.6
91.05473	70.6
93.07036	48.0
95.01318	11.3
95.04967	13.7
95.08600	39.7
97.02881	8.0
97.06522	24.9
97.10150	3.7
99.04463	3.0
99.08114	2.9
103.05449	1.5
105.04465	1.2
105.07021	74.5
107.04945	19.1
107.08588	27.2
109.02845	7.5
109.06512	6.2
109.10136	10.1
111.04424	7.8
111.08066	5.2
115.05463	3.1
117.07005	20.5
119.04996	1.1
119.08565	39.7
121.06501	3.4
121.10139	12.0
123.04415	2.5
123.08056	5.8
123.11694	4.1
125.09647	2.1
127.03897	6.1
128.06235	1.8
129.07021	5.3
131.04874	1.8
131.07564	1.6
131.08557	28.8
131.09474	2.5
133.06480	4.1
133.10117	47.5
135.08069	5.1
135.11664	8.3
137.06007	1.5
137.09624	3.2
139.07556	2.1
141.06960	1.9
142.07811	1.8
143.08539	6.5
145.06516	3.1
145.10114	20.6
147.08040	1.9
147.11668	23.2
147.12749	2.1
149.05965	1.3
149.09607	8.9
149.13271	8.5
151.11241	1.5
155.08591	4.1
157.10147	6.0
159.08037	1.2
159.11671	17.9
161.09595	2.4
161.13252	5.4
163.07597	1.6
163.11156	5.7
165.12769	3.3
168.97765	1.1
169.10118	3.6
171.11699	5.5
173.09627	1.3
173.13264	4.0
175.11264	2.1
175.14873	2.2
177.12784	5.8
179.14299	17.4
181.10068	1.3
183.06575	1.2
183.11729	3.3
185.13329	2.4
187.11241	4.1
189.12720	1.2
195.13721	6.0
197.13257	3.2
199.14825	1.7
201.12825	2.3
205.12210	2.8
207.13829	1.4
219.13875	2.6
219.17375	2.8
229.19463	1.3
239.17937	3.4
241.14273	2.3
247.20706	2.7
257.18958	8.7
267.15955	1.8
269.17599	2.5
275.20041	100.0
293.21237	5.3
303.15930	1.9
321.16953	2.8
331.22684	1.9
339.18018	9.5
349.23773	9.8
395.20697	12.2
419.24469	2.5
543.36700	7.2
669.39703	4.1
687.40955	58.6
688.40948	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01874	0.7
55.05505	12.5
57.03164	1.2
57.03435	13.0
57.03714	0.6
57.07077	2.8
59.04997	4.5
61.02918	4.8
64.04483	0.6
65.03616	0.6
65.03934	2.3
67.05499	100.0
68.05826	1.0
69.03425	1.8
69.07066	8.5
69.53931	5.2
71.04993	3.1
73.02917	2.1
78.03197	0.6
79.05486	20.7
81.03407	1.6
81.07050	37.5
83.04981	1.7
83.08606	7.6
85.02887	4.5
85.06524	3.4
91.03969	1.5
91.05473	13.5
93.07039	24.4
95.04987	2.3
95.08598	25.2
96.08907	0.7
97.02894	2.7
97.06517	1.2
97.10162	1.6
99.08104	1.1
105.07022	8.0
107.08583	13.5
109.06511	1.3
109.10148	79.2
110.10457	0.9
111.08086	3.5
117.07010	2.4
117.41087	0.6
119.08569	11.3
121.10136	9.3
123.11681	3.9
125.09612	1.0
127.03893	1.1
131.08578	4.6
133.10109	4.0
135.11690	7.8
137.09587	3.3
137.13193	1.0
145.10103	3.5
147.11717	4.1
149.09656	0.7
149.13266	4.6
155.10631	4.7
159.11696	3.1
161.13257	3.6
163.14786	2.9
173.11742	20.8
173.13228	2.9
175.14781	1.1
177.16397	0.9
185.13361	0.6
187.14830	1.6
189.11192	1.3
201.16402	0.7
227.12766	4.1
229.14336	82.5
230.14529	1.3
243.21104	3.3
261.22144	14.8
298.12708	0.6
317.25015	2.9
335.25775	57.9
336.26181	0.9
415.32150	1.1
465.00452	0.7
471.34546	1.3
473.05298	0.6
489.35724	32.1
490.36075	1.7
507.36578	2.0
713.16534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01859	1.2
55.05281	1.1
55.05505	12.2
56.08340	0.9
57.03431	12.4
57.07058	3.0
59.04996	4.0
61.02917	5.0
65.03938	2.2
65.94284	0.8
67.05497	100.0
69.03418	2.2
69.07055	8.8
70.03601	4.6
71.04976	2.6
71.08620	1.8
73.02901	1.1
79.05487	20.5
79.65762	0.8
81.03397	2.7
81.07048	41.6
83.04961	2.2
83.08608	10.5
84.82343	0.8
85.02893	4.4
85.06548	4.0
90.17528	0.9
91.03966	1.1
91.05470	16.2
93.06441	1.4
93.07034	27.5
93.24507	0.9
95.04944	1.5
95.08597	29.9
97.02890	2.0
97.06516	1.6
97.10130	2.1
99.08076	1.8
105.07024	7.2
107.08585	17.2
109.06467	1.3
109.10142	76.4
111.08070	3.4
117.07006	3.2
119.08571	11.1
121.10140	10.6
123.11685	4.7
125.09608	1.7
131.08586	5.1
133.10120	4.6
135.11685	9.6
137.09595	3.8
137.13211	1.1
145.10100	4.6
145.11093	0.8
147.11693	5.4
149.13206	3.2
154.35426	0.8
155.10646	5.3
159.11664	3.6
161.13246	2.0
163.14777	4.3
173.11742	21.0
173.13252	3.3
177.16377	2.0
184.12595	0.9
187.14725	1.1
227.12773	3.3
229.14333	91.9
230.14716	1.8
243.21088	5.1
261.22137	19.8
263.23651	1.0
313.27518	1.4
317.24683	3.1
335.25784	85.8
336.26096	3.8
397.30853	1.1
429.43130	0.9
471.34711	1.3
489.35718	65.7
490.36163	4.0
507.36630	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	686.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.3
53.03945	0.6
53.57866	0.2
55.01849	1.0
55.05507	0.5
57.07059	0.3
63.59187	0.2
63.65041	0.2
65.03937	0.6
67.05494	0.8
67.42991	0.2
68.99781	1.2
69.03426	0.2
69.07056	0.4
71.01366	0.3
79.05495	0.8
81.03406	0.5
81.07054	1.6
84.04478	0.7
86.09717	0.2
89.83297	0.2
91.05470	0.6
93.07022	0.7
95.04961	1.4
95.08604	0.8
97.02836	0.3
98.20685	0.5
105.03396	0.2
105.07014	0.4
107.04948	0.8
107.08611	0.2
109.02868	1.0
109.10149	1.4
112.66133	0.2
117.07037	0.2
119.04927	0.3
121.02859	0.5
121.06497	0.8
123.04426	1.8
123.08025	1.0
125.02343	1.0
127.03899	1.2
129.06990	0.8
130.04991	0.5
131.08517	0.6
133.02782	0.2
133.06540	0.2
135.04417	1.3
135.70369	0.2
137.06024	0.4
139.03893	20.8
140.04207	0.7
143.03325	0.3
145.10085	0.5
147.04388	0.9
147.07855	0.4
148.06079	0.3
149.05954	1.6
149.09618	0.6
151.03893	80.6
152.04245	3.3
153.01811	3.1
155.08556	0.4
157.06480	0.6
159.04419	0.6
159.07959	0.2
161.06003	0.8
163.03899	6.2
163.07494	0.3
165.05489	2.1
169.04892	0.2
173.09599	0.5
175.03931	0.4
175.07567	1.5
177.05464	4.9
177.09099	0.9
178.05917	0.4
181.04930	0.9
189.05440	0.5
191.07069	0.3
191.10666	0.3
193.08595	8.6
194.08932	0.3
195.10201	0.6
200.35374	0.2
201.09117	1.7
205.05121	0.3
207.10077	0.2
209.04099	0.2
219.10152	100.0
220.10493	6.0
229.78528	0.2
231.10143	1.2
257.71265	0.2
301.07019	0.2
369.13361	3.3
370.13547	0.4
387.14325	0.5
654.49622	0.2
685.51306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.3
53.03945	0.6
53.57866	0.2
55.01849	1.0
55.05507	0.5
57.07059	0.3
63.59187	0.2
63.65041	0.2
65.03937	0.6
67.05494	0.8
67.42991	0.2
68.99781	1.2
69.03426	0.2
69.07056	0.4
71.01366	0.3
79.05495	0.8
81.03406	0.5
81.07054	1.6
84.04478	0.7
86.09717	0.2
89.83297	0.2
91.05470	0.6
93.07022	0.7
95.04961	1.4
95.08604	0.8
97.02836	0.3
98.20685	0.5
105.03396	0.2
105.07014	0.4
107.04948	0.8
107.08611	0.2
109.02868	1.0
109.10149	1.4
112.66133	0.2
117.07037	0.2
119.04927	0.3
121.02859	0.5
121.06497	0.8
123.04426	1.8
123.08025	1.0
125.02343	1.0
127.03899	1.2
129.06990	0.8
130.04991	0.5
131.08517	0.6
133.02782	0.2
133.06540	0.2
135.04417	1.3
135.70369	0.2
137.06024	0.4
139.03893	20.8
140.04207	0.7
143.03325	0.3
145.10085	0.5
147.04388	0.9
147.07855	0.4
148.06079	0.3
149.05954	1.6
149.09618	0.6
151.03893	80.6
152.04245	3.3
153.01811	3.1
155.08556	0.4
157.06480	0.6
159.04419	0.6
159.07959	0.2
161.06003	0.8
163.03899	6.2
163.07494	0.3
165.05489	2.1
169.04892	0.2
173.09599	0.5
175.03931	0.4
175.07567	1.5
177.05464	4.9
177.09099	0.9
178.05917	0.4
181.04930	0.9
189.05440	0.5
191.07069	0.3
191.10666	0.3
193.08595	8.6
194.08932	0.3
195.10201	0.6
200.35374	0.2
201.09117	1.7
205.05121	0.3
207.10077	0.2
209.04099	0.2
219.10152	100.0
220.10493	6.0
229.78528	0.2
231.10143	1.2
257.71265	0.2
301.07019	0.2
369.13361	3.3
370.13547	0.4
387.14325	0.5
654.49622	0.2
685.51306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69172	2.7
53.03925	5.4
55.01874	7.1
55.05269	4.1
55.05505	36.4
57.03438	23.0
57.07074	50.8
67.05499	51.2
69.00333	3.0
69.03428	23.8
69.07046	14.5
71.04978	5.0
71.08307	3.3
71.08636	31.3
73.02902	3.6
79.05485	25.6
81.03413	96.4
81.03890	5.1
81.07053	54.2
83.04977	100.0
83.08607	32.1
85.02901	20.2
85.06506	3.4
85.10177	14.5
89.06013	6.6
91.05472	25.1
93.07049	19.5
95.04984	23.6
95.08599	42.6
97.02872	15.1
97.06518	7.0
97.10160	11.7
99.04425	7.4
101.42723	2.8
105.07020	21.8
107.04950	7.6
107.08607	8.8
109.02892	6.6
109.06524	5.0
109.10154	20.2
111.04436	30.7
111.08044	14.9
117.07002	4.3
119.08534	15.6
121.10142	10.8
123.11688	8.3
125.09644	3.1
127.03935	8.9
129.05478	41.7
129.07013	8.5
131.08569	9.6
133.10136	8.2
135.11711	5.9
147.11710	20.2
149.09615	4.9
153.12811	4.9
157.10152	11.7
163.11186	7.7
165.12785	6.7
175.11165	9.9
181.12100	6.3
191.10608	7.0
193.12245	37.2
211.13275	53.6
227.12756	14.4
229.14313	12.6
235.13539	3.1
239.23763	8.4
267.15891	15.7
283.15399	7.1
285.17007	9.4
313.27344	67.1
335.25812	4.5
345.12802	3.0
355.17551	7.0
411.20108	6.7
429.21213	16.2
505.38779	13.1
523.32611	4.7
523.39984	78.2
539.39740	3.6
582.18512	3.5
667.44531	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	685.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01860	5.8
55.05506	33.4
56.21856	2.3
57.03430	16.1
57.07071	49.0
57.51198	2.0
59.90176	2.1
61.02906	3.5
65.03927	3.2
65.85667	2.3
67.05200	3.2
67.05506	38.2
68.61288	2.5
69.03423	20.8
69.07062	16.8
70.06947	6.1
70.07375	7.9
71.04977	6.6
71.08629	32.6
73.02905	5.4
76.35708	2.1
78.49778	2.3
79.05487	23.1
81.03409	95.0
81.07049	45.7
82.03749	2.3
83.04521	3.6
83.04978	64.7
83.08622	30.4
85.02892	16.6
85.06570	3.1
85.10171	22.0
91.05466	24.6
93.07045	18.5
95.04967	23.9
95.08603	36.2
97.02883	21.7
97.06482	2.3
97.10152	9.6
98.20802	4.4
98.38856	2.3
99.04439	7.4
99.11632	2.3
103.03940	3.2
105.07021	23.2
107.04931	6.8
107.08560	9.4
109.02874	10.9
109.06528	4.2
109.10128	16.7
111.04442	21.0
111.08080	10.5
115.05418	2.8
117.07001	3.9
119.08569	19.7
121.10136	9.5
123.11683	7.8
125.09597	3.1
127.03899	16.0
129.05467	24.8
129.06969	12.2
131.08563	12.8
133.10103	7.5
135.11664	5.5
145.10138	3.1
147.08012	5.2
147.11674	21.2
149.09567	6.2
153.12708	5.0
157.10089	12.2
163.11159	8.6
165.12758	5.8
175.11189	16.9
181.12204	6.6
189.62794	2.3
191.10762	5.7
193.12221	58.7
211.13280	89.1
227.12720	16.8
229.14342	8.4
235.13240	2.7
239.23639	6.4
267.15872	16.8
282.47189	2.1
283.15439	4.6
285.16992	16.8
294.29309	2.4
313.27328	100.0
319.15363	3.2
337.16254	3.0
341.26730	3.0
355.17496	8.4
383.27878	2.9
402.37186	2.8
411.19925	2.5
429.21262	12.1
453.85132	3.1
468.48019	3.3
505.39001	16.6
523.39905	88.4
524.40393	4.3
545.38281	7.5
667.44067	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	684.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25951	1.3
53.03933	2.9
55.01870	2.2
55.05508	10.4
57.03423	6.2
65.03928	1.6
67.05500	32.5
69.07061	8.8
71.04963	2.1
71.08602	3.4
71.72722	2.3
74.09706	6.3
79.05035	2.8
79.05487	42.4
81.03415	12.7
81.07049	29.2
83.04955	9.1
83.08613	7.9
85.02885	2.7
85.06555	2.6
91.05460	36.3
93.07036	41.5
94.07227	1.6
95.04971	14.3
95.08603	16.7
97.06525	4.2
97.10165	2.1
99.08072	3.6
105.07024	23.8
107.04941	6.5
107.08581	11.9
109.06480	4.6
109.10131	2.7
117.07020	6.7
119.08570	19.2
121.10138	6.7
123.08057	3.9
129.06987	12.5
129.49326	1.5
131.08556	4.1
133.10114	9.5
135.11674	4.7
143.08540	5.8
145.10104	7.5
147.07991	2.3
147.11676	21.6
151.11139	3.2
157.10173	1.7
161.09541	3.3
161.13190	8.3
163.11159	2.4
171.11674	16.0
179.14297	8.7
189.12695	6.9
207.13759	19.7
225.14827	2.5
227.12640	1.4
263.16388	2.6
277.21613	5.5
281.17471	48.5
281.20584	2.7
282.17819	1.9
283.41626	1.7
320.50098	1.6
337.28635	1.6
355.11655	2.0
357.12219	1.6
487.30511	100.0
488.30743	6.1
543.36829	38.0
544.35931	2.0
684.34558	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	683.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.8
55.05503	19.1
55.25624	2.9
55.28543	3.0
55.81705	2.8
57.06802	3.3
57.07072	57.4
61.02917	3.0
65.03927	3.6
67.05499	67.0
69.03429	20.2
69.07051	16.6
71.04623	3.7
71.04989	63.1
71.08627	38.2
71.17794	5.9
71.18124	3.5
73.06544	2.6
78.76128	2.9
79.05483	18.9
81.03408	61.2
81.07050	100.0
83.04956	9.9
83.08610	21.4
85.02906	4.3
85.06550	6.3
85.10162	16.2
91.05472	36.0
93.07045	23.5
95.04958	5.1
95.08590	41.9
97.02884	14.8
97.06518	5.2
97.10141	6.8
99.04409	6.4
99.08099	3.9
105.06999	15.0
107.08585	14.7
109.02856	15.0
109.10149	25.1
111.04433	9.0
111.11707	2.9
117.07032	3.4
119.08549	3.6
121.10165	6.3
123.11680	14.6
127.03890	13.2
131.08551	5.2
133.10132	18.3
135.11621	4.5
147.11674	5.8
149.13243	10.8
150.42999	2.8
151.11147	6.8
159.11710	10.8
173.04428	17.5
177.12700	8.0
183.13780	9.6
187.13297	16.0
195.13780	9.1
201.14816	5.4
228.86647	2.9
239.23604	11.0
257.17358	4.8
266.22638	3.1
313.27365	12.1
321.16913	6.3
327.28876	10.7
339.17853	14.5
388.72787	3.3
395.20511	4.1
427.23138	8.2
479.41223	3.6
481.38779	8.3
495.40381	15.7
507.40295	9.7
539.42737	11.8
651.44647	9.6
683.47058	94.6
684.47205	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	683.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89666	2.5
53.03931	10.4
55.01873	2.3
55.05507	22.7
56.47686	1.9
57.03436	5.4
57.07074	56.0
61.02922	2.1
63.07061	1.9
65.03934	2.4
67.05504	65.1
69.03423	18.9
69.07069	20.4
69.68922	15.0
71.04988	63.5
71.05389	2.7
71.08624	38.5
79.05483	28.4
81.03410	64.8
81.07053	99.6
83.04978	11.4
83.08614	20.6
85.02899	5.6
85.06542	10.3
85.10184	19.6
91.05468	36.2
93.07028	21.3
95.04978	6.1
95.08594	46.5
96.84691	1.7
97.02888	17.6
97.06529	8.9
97.10170	10.7
98.59605	2.0
99.04469	6.5
99.08114	4.0
105.07020	16.1
107.08587	18.8
109.02849	13.3
109.06498	2.9
109.10149	18.4
111.04403	9.5
111.08081	3.4
111.11698	2.4
117.07029	4.3
119.08639	3.8
121.06503	2.5
121.10148	8.3
123.11708	18.0
127.03923	11.6
129.07019	2.6
129.12450	2.1
131.08575	6.4
133.10124	20.8
135.11705	5.0
137.13292	2.5
147.11700	4.7
149.13237	13.2
151.11174	13.6
159.11694	11.7
167.53320	1.8
169.12234	3.6
173.04466	16.5
177.12814	7.9
183.13782	12.4
187.13287	16.1
191.99467	2.1
195.13866	7.8
201.14877	3.6
213.14839	2.2
239.23711	13.0
257.17548	6.8
308.90039	1.9
313.27286	12.8
321.16998	3.1
327.28992	9.4
339.17999	16.0
371.20786	2.9
395.20691	5.7
427.23352	6.6
456.34641	2.1
479.40927	4.6
481.38852	10.2
495.40460	15.4
499.22348	2.1
507.40781	5.4
539.43219	14.4
584.14508	2.2
651.44952	7.5
683.47241	100.0
684.47717	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	683.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03945	0.5
55.01886	0.5
55.05503	0.6
63.02386	0.7
65.03927	1.9
67.05499	1.4
69.03417	0.6
69.07059	0.6
69.64469	2.9
79.05490	1.2
81.07052	1.6
85.02900	0.4
89.03904	7.3
91.03956	0.5
91.05474	15.8
93.07024	0.8
95.04958	1.0
95.08628	0.8
98.21410	0.8
103.05464	2.7
105.07029	1.8
107.04952	1.6
115.05466	0.7
117.03371	19.2
117.07028	0.7
119.04935	31.5
121.02853	0.8
121.06510	0.7
122.03651	0.6
128.06229	0.4
129.06993	0.8
131.04927	5.3
133.06474	1.0
133.10138	0.4
134.03606	1.6
135.04401	2.1
135.08037	0.6
137.05968	7.8
137.07016	0.5
141.07004	0.5
145.02838	45.6
145.06522	1.0
146.03537	0.8
146.30843	0.3
147.04399	100.0
149.05972	7.9
149.13168	0.4
151.07578	1.1
158.07280	0.4
159.04387	0.6
161.05962	3.5
163.03867	2.4
163.07492	2.4
173.05978	0.5
175.07547	2.1
175.11296	0.4
177.05458	89.8
178.05840	0.6
186.05524	2.5
187.07524	0.7
189.05463	1.8
189.09114	1.4
201.05466	0.4
201.09064	0.9
205.04735	0.4
207.08070	0.5
219.10109	2.2
225.09230	0.4
233.09659	0.8
233.11688	0.7
237.09123	0.6
238.06215	1.5
247.05998	1.6
253.08694	1.9
261.09125	0.6
265.08615	1.1
265.12289	0.4
267.10107	0.6
281.08047	5.2
281.10886	0.7
282.08655	0.5
293.11783	2.1
295.09540	0.7
297.11154	2.2
299.12610	0.5
309.11032	0.6
311.12793	0.6
313.14261	1.5
315.12128	0.7
323.09033	1.0
325.14316	3.0
343.15390	2.6
377.13681	0.5
395.14957	2.6
453.21170	0.6
454.21249	0.5
465.24008	0.4
471.20682	0.4
682.34595	3.3
683.35431	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	681.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05508	1.9
57.03432	2.0
61.02917	4.7
66.92449	0.3
67.05507	5.5
68.53648	0.4
69.03443	2.4
69.07054	2.2
70.29150	2.0
71.04979	0.8
73.02914	3.2
79.05473	3.0
79.67502	0.4
81.03409	2.6
81.07050	8.1
82.07350	0.4
83.04989	1.8
83.08615	1.2
85.02890	4.1
91.03947	3.4
91.05471	2.5
93.07024	3.6
95.04964	1.2
95.08591	1.6
97.02883	4.1
97.06519	1.3
97.10154	0.5
98.21378	0.5
99.04456	0.9
101.02383	1.6
105.07030	3.0
107.08585	2.2
109.02870	1.1
109.06516	0.5
109.10153	0.4
111.04454	1.8
112.04731	0.6
119.04973	0.5
119.08575	2.3
121.10150	1.7
123.11724	1.4
127.03944	1.6
131.08588	1.2
133.10124	0.5
135.11679	0.7
145.05008	0.4
145.10094	0.6
147.04424	1.7
147.11679	4.0
148.04698	0.4
149.13234	2.2
153.05508	0.6
159.11716	0.7
165.12779	1.4
185.04269	0.7
190.58047	0.4
203.05243	0.5
215.11395	0.5
235.13123	0.6
243.08476	1.7
243.14261	0.5
251.11487	0.5
251.12605	0.6
253.12859	0.7
269.12347	1.2
269.17532	0.8
271.14026	0.8
285.17075	0.5
304.05969	0.4
453.20920	6.7
469.20105	10.0
519.28491	0.7
591.68079	0.5
637.34998	0.8
681.34454	100.0
682.34766	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2089
Annotation	Copalliferol A
Peak:m/z	Relative Intensity
50.59876	1.1
52.82520	1.2
57.99311	1.1
58.31981	1.1
67.05494	3.0
72.79659	1.3
81.07059	2.9
93.07010	1.6
98.21517	1.8
105.27074	1.3
109.10155	1.4
131.04045	1.3
131.04971	4.4
133.97101	1.4
155.54419	1.4
180.25935	1.8
185.04564	1.4
209.62486	1.2
229.95033	1.1
236.88268	1.3
309.96262	1.2
319.17703	1.3
351.06134	5.8
355.08401	1.6
383.08847	14.2
467.12579	2.7
567.13550	2.2
607.17114	4.0
649.18036	7.2
681.20947	100.0
682.20886	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	681.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18373	0.4
53.03939	0.7
55.01859	0.5
55.05490	1.6
57.03414	1.7
61.02922	4.1
67.05494	3.9
69.03421	2.8
69.07056	1.3
70.06518	2.4
71.01330	0.5
71.04971	0.8
73.02927	2.8
76.95599	0.4
79.05491	3.1
81.03409	3.8
81.07053	4.4
83.04977	1.0
83.08614	1.5
83.31828	0.4
85.02895	5.3
85.68854	0.4
86.67760	0.4
87.04455	0.6
91.03946	2.1
91.05466	3.4
91.72446	0.4
93.07040	3.4
95.04963	1.5
95.08607	1.4
97.02895	3.8
97.06529	1.1
99.04423	0.7
99.08073	0.4
101.02373	1.2
105.07019	2.2
107.04923	0.5
107.08577	1.7
109.02885	0.8
109.10167	0.9
111.08111	0.7
114.62357	0.4
117.06994	1.2
119.08562	1.9
121.10133	1.8
125.09592	0.5
125.61107	0.4
127.03889	2.0
129.06998	0.7
131.08575	1.4
133.10124	2.0
135.11661	0.8
145.10052	0.6
147.11676	1.3
149.13246	1.6
157.10123	1.7
159.11684	1.0
175.11186	0.8
177.12744	0.4
185.04227	0.7
185.78345	0.4
193.12250	1.4
195.13795	0.7
203.05350	0.5
235.13126	1.2
243.08363	2.4
251.12422	0.5
269.12411	0.7
291.15536	0.7
307.15298	0.5
387.11029	0.5
453.20935	5.3
469.20462	8.4
479.12729	0.5
483.30298	0.4
540.41644	0.4
681.34473	100.0
682.34955	4.4
701.46301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28243	0.5
53.03923	0.9
55.01858	1.9
55.05505	7.6
67.05511	1.4
68.25436	0.5
69.03400	0.6
71.17567	0.5
71.17939	1.5
79.05477	1.7
81.03446	0.7
81.07040	1.1
83.04970	33.5
84.14988	0.5
85.02887	1.9
91.05480	1.1
93.06995	0.9
95.04948	0.6
107.04942	62.3
107.08570	0.6
111.04430	100.0
121.06491	2.6
127.03898	0.6
128.06277	0.6
129.05486	1.9
137.02316	1.7
139.74936	0.5
145.06499	1.0
149.05992	5.0
153.05447	46.2
155.08533	0.8
157.06500	2.3
165.07463	0.5
170.07214	0.6
171.06525	1.8
171.08044	6.0
175.03888	3.7
175.07481	3.5
187.07503	0.7
189.05457	0.6
191.06953	0.6
193.04987	3.4
195.08144	0.9
199.07533	7.7
201.05447	4.1
213.09131	2.8
217.08583	6.5
223.07524	3.1
231.10217	0.7
241.08572	8.8
252.98885	0.6
259.09610	7.9
277.10703	0.8
303.04871	0.8
315.04977	4.7
327.04871	1.2
341.06421	1.1
353.06506	2.7
367.08353	0.9
369.06036	2.4
379.13910	2.7
395.07578	4.7
403.74768	0.6
413.08621	2.0
439.29623	0.7
465.30936	0.6
473.10419	0.8
475.06677	0.6
511.19025	0.6
517.11420	1.2
532.03387	0.6
681.34552	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55591	6.9
55.05498	13.5
56.39473	8.2
56.80925	6.9
57.03423	8.7
63.69658	6.1
67.05497	57.9
69.07056	16.7
71.08617	49.5
79.05502	44.9
81.03394	8.0
81.07054	69.5
82.95044	6.4
83.04967	17.1
83.08625	13.6
91.05467	42.1
93.07039	73.6
95.04968	10.7
95.08602	46.6
97.06515	13.7
99.08057	27.9
100.11249	15.3
105.07000	19.8
107.04925	10.5
107.08580	61.7
108.45629	6.8
109.06547	7.6
109.10162	12.6
110.13310	8.0
117.07002	11.3
117.73726	6.7
119.08566	26.5
121.10109	32.7
131.08540	11.3
133.10101	24.6
135.11705	33.5
147.11644	8.7
148.49979	7.3
149.13242	16.2
151.11148	29.2
161.13223	23.2
163.11099	13.3
179.14284	100.0
189.12689	6.5
210.14738	8.4
259.20526	8.6
269.17496	19.0
277.21664	56.3
293.81909	6.9
351.25342	26.5
496.20050	8.0
545.38354	76.4
627.45648	25.5
631.90985	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	679.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01874	1.4
55.05508	11.9
57.03431	2.0
60.08148	0.5
64.71241	0.4
65.03944	1.2
67.05497	2.0
68.99805	1.1
69.03415	2.9
69.07062	0.4
70.13384	0.4
70.13709	0.8
70.14081	0.7
71.01344	1.4
71.04987	1.7
72.79850	0.4
73.02899	0.8
78.24055	0.4
79.05484	1.7
79.29809	0.4
81.03392	0.5
81.07044	2.7
83.04972	69.3
83.08592	0.6
84.05280	1.0
85.02895	14.7
86.03168	0.4
86.09705	2.4
87.00816	0.6
89.02390	0.6
91.05470	6.7
93.03378	0.5
93.07038	1.6
95.04954	5.0
97.02882	0.7
98.20776	0.5
99.04440	0.5
101.06000	1.5
103.05453	0.4
105.07059	0.7
107.04943	10.3
107.08586	0.5
109.06531	0.5
109.10171	0.6
111.04432	100.0
112.04765	1.5
119.04071	0.7
119.04928	13.6
120.05727	3.9
121.02874	2.1
121.06488	0.8
123.04411	9.4
125.00002	1.3
127.03877	2.0
129.05469	11.3
131.04907	0.9
133.06479	0.6
133.10086	0.4
135.04356	0.6
135.11670	0.7
137.02350	3.3
147.04395	36.7
147.11768	0.5
148.04701	0.4
149.02243	0.4
153.01820	6.2
153.05444	31.9
154.05786	0.9
157.06491	0.6
161.02327	0.8
161.05853	0.8
163.03906	0.9
165.01807	1.3
165.05513	2.2
165.06631	0.4
171.06505	14.3
171.07970	0.8
173.05968	0.6
175.03784	0.4
181.06441	0.4
183.02907	0.8
184.07317	6.5
185.07578	0.6
187.03947	0.8
189.05446	1.2
197.05945	0.7
199.07643	0.7
201.05428	1.1
203.03473	0.9
207.85112	0.4
211.07481	0.5
213.05539	0.7
213.09082	0.7
215.03253	0.5
217.04938	4.9
227.03528	0.5
229.04964	3.6
230.89258	0.4
231.06561	0.3
231.08595	6.9
243.06456	0.4
245.04410	5.9
246.04945	0.6
253.04938	1.0
255.06392	0.9
257.04486	2.0
259.05850	0.5
269.17487	0.5
271.05960	0.5
273.03876	4.5
274.04446	0.7
281.04321	0.5
285.03842	3.5
286.04526	0.8
287.05469	1.3
299.05380	0.5
301.03406	11.0
302.04099	3.9
303.04974	8.8
309.07489	0.5
313.03284	1.3
314.04111	2.2
315.04922	5.5
323.05441	0.7
326.04089	0.5
327.04922	7.9
329.02780	0.8
339.04971	1.6
341.06454	1.4
343.04471	0.9
345.06021	0.6
351.04770	0.5
351.08582	0.5
353.06439	1.8
355.04315	1.2
361.06992	0.7
365.06461	0.7
366.07312	1.0
367.08142	1.0
369.05975	0.8
371.07672	0.5
377.12195	1.2
379.03955	0.6
379.08209	2.4
389.06412	0.7
393.05875	0.6
394.06744	3.7
395.07562	4.0
407.07596	13.1
408.07877	0.6
411.06702	0.5
413.08646	0.8
421.09177	12.6
422.09381	0.8
423.27209	0.7
433.09122	4.1
437.08478	0.8
449.08731	8.4
449.28766	0.7
461.08521	0.7
463.30774	0.7
467.09650	2.6
471.10501	0.9
479.09708	2.9
481.31146	0.7
489.11475	1.5
493.07425	0.7
499.09949	0.6
501.07877	0.5
513.11682	4.0
514.11639	0.5
517.11127	2.4
521.10553	1.4
531.12628	1.3
535.12402	2.3
541.10956	1.1
559.04498	0.7
559.12372	9.8
560.12518	0.7
577.13354	10.3
578.13483	0.7
601.13275	3.4
619.13544	0.6
637.15198	1.1
679.16400	8.2
679.33258	3.4
680.16486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
56.44476	0.4
65.03917	1.3
69.03445	0.6
69.98763	2.1
69.99168	0.7
80.47907	0.6
83.04971	15.7
85.02914	0.6
88.43936	0.5
91.05471	10.1
101.08311	0.4
111.04433	47.7
112.04736	0.4
119.04935	24.4
129.05437	0.6
147.04395	100.0
148.04704	1.6
153.05452	22.6
171.06532	1.3
257.08081	0.9
303.04965	0.7
377.12326	7.2
395.07712	0.8
422.24988	0.5
615.46204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95340	0.5
55.05516	3.4
55.25639	0.5
65.03926	1.4
70.95641	1.2
70.96030	1.1
75.78517	0.6
83.04980	16.2
91.05470	12.2
111.04433	43.1
117.80639	0.6
119.04933	28.5
147.04398	100.0
148.04738	1.2
153.05450	19.5
153.06706	1.0
162.59109	0.5
171.06514	1.1
173.05968	0.7
226.83559	0.6
257.08084	0.9
315.05020	1.1
353.06299	0.7
377.12256	3.6
395.07397	1.4
452.86307	0.6
454.89835	0.6
473.10373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01868	0.8
55.05507	7.2
57.03422	1.6
61.02920	0.7
65.03933	1.8
67.05492	7.3
68.05846	0.6
68.99767	1.2
69.03427	2.0
69.07056	1.6
70.68288	1.7
71.04985	1.1
79.05472	3.2
80.05807	0.9
80.81944	0.5
81.03438	0.8
81.07047	10.0
82.07359	0.6
83.04971	34.0
83.08611	1.0
85.02875	3.6
85.06522	0.9
86.09699	2.2
86.93307	0.6
90.97117	0.6
91.05466	14.8
93.07024	4.5
95.04938	2.8
95.08596	2.1
96.72224	0.6
97.06507	1.2
100.65151	0.6
101.05998	0.6
104.05870	0.5
105.07011	0.8
107.04936	7.1
107.08571	3.2
109.02868	0.8
109.10113	0.9
111.04428	83.4
112.04758	0.6
117.07027	1.2
119.04926	24.7
121.02850	2.0
121.10120	1.7
123.04427	2.3
123.11696	1.0
125.00018	1.6
127.03916	1.4
129.05496	3.9
131.04901	0.9
131.08540	1.2
133.10109	2.2
135.11682	1.6
137.02313	1.6
141.06877	0.6
147.04391	100.0
147.11613	0.7
148.04739	1.7
149.03561	0.6
149.13264	2.5
153.01820	8.3
153.05444	44.7
157.06442	1.2
159.11723	1.4
165.01851	0.9
165.05438	0.7
167.24986	0.6
171.06519	4.8
173.05948	1.1
176.79468	0.7
179.03348	0.9
181.06467	1.0
183.02878	1.0
184.07294	6.5
187.03871	0.7
195.13713	1.0
197.05963	3.0
199.07541	0.7
201.05443	1.8
203.03342	1.5
207.02795	0.9
213.05443	1.0
213.07526	0.7
221.06020	0.6
225.05527	1.1
227.07144	0.5
229.04906	2.7
231.08504	0.8
239.07010	1.1
239.61362	0.6
243.15898	1.0
245.04321	0.8
253.04955	0.9
255.06561	0.7
257.04483	2.9
257.07901	1.0
269.17511	3.5
273.09726	1.5
285.03812	3.8
287.06915	1.0
287.18466	1.5
301.03363	2.5
303.04919	6.5
305.08139	1.1
313.03476	0.8
315.04922	2.2
317.67087	0.6
327.04880	1.0
331.04388	0.7
333.07474	1.7
343.04709	1.1
345.05997	0.8
351.08588	1.7
353.06244	1.1
355.04218	0.8
361.07114	3.1
377.12231	2.8
379.03729	0.8
379.08087	8.0
385.05383	0.9
389.06403	1.1
395.07623	1.7
401.75394	0.6
407.07571	41.3
408.07846	1.4
413.08640	1.5
421.09082	1.3
433.09122	2.7
437.23468	0.8
437.28928	8.2
438.29208	5.1
449.08621	3.5
463.30624	3.1
464.30618	1.8
481.31448	2.8
482.31693	1.5
513.11664	0.7
531.12604	0.7
541.11377	0.8
577.13641	0.8
637.15662	0.8
679.16443	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01847	1.2
55.05287	1.0
55.05514	13.0
57.03439	8.9
57.07071	2.4
59.05003	1.6
61.02917	3.0
62.24084	1.0
65.03922	1.6
65.79015	1.0
67.05502	78.3
69.03431	1.5
69.07064	12.3
71.01344	2.3
71.04625	1.3
71.04992	18.7
71.72102	1.0
72.69543	0.9
73.02916	1.5
79.05488	34.6
81.03410	3.3
81.07053	67.5
82.07381	1.5
83.04976	10.9
83.08610	12.8
85.02903	5.0
85.06527	7.5
86.09698	3.4
91.03947	1.6
91.05479	23.0
93.07043	45.0
95.04970	6.8
95.08594	15.2
97.02886	2.3
97.06515	10.9
97.10168	5.1
99.04424	1.3
99.08076	2.3
105.07044	8.0
107.04954	1.5
107.08589	30.3
109.06482	1.9
109.10156	25.9
111.04468	6.8
111.08072	5.1
117.07022	6.3
119.08576	9.6
121.10140	12.1
123.07109	0.9
123.11662	7.7
124.10573	1.0
125.00024	1.2
125.09627	1.4
131.08591	6.5
133.10132	9.7
135.08026	1.2
135.11693	23.8
137.09610	3.7
145.10121	4.2
147.04393	6.4
147.11673	2.3
148.12086	1.1
149.13235	12.2
151.11168	4.6
153.05460	2.0
155.10608	0.9
159.11678	7.6
163.11183	3.1
173.11728	3.8
177.12817	1.8
181.12210	3.1
184.07333	12.6
184.90324	1.1
187.13303	2.8
195.13826	4.8
211.13162	1.2
213.14896	1.4
231.08882	0.9
233.15276	1.1
255.15906	10.7
267.15918	2.0
268.16040	1.1
269.17493	13.2
270.17841	2.3
271.18045	1.0
285.17010	1.3
286.17090	1.3
287.18457	4.5
301.19965	2.3
421.08694	1.3
423.27393	50.4
437.29074	10.0
449.28986	100.0
450.29593	1.7
463.30624	4.6
480.30234	2.0
481.31540	44.3
499.30362	1.3
605.37933	1.2
625.35291	1.2
678.35345	1.4
679.32916	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	678.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05033	0.6
57.03431	0.4
58.06608	0.5
60.08159	6.8
67.05497	1.5
69.03440	0.3
70.07458	1.2
71.04977	0.3
71.07362	3.5
79.05495	0.7
81.03418	0.8
81.07048	0.8
83.04984	0.5
83.08592	0.4
83.37218	0.2
85.02895	0.6
85.06541	0.2
86.09700	31.5
91.05482	1.8
93.07032	0.7
95.04948	0.5
95.08572	0.3
97.02901	0.3
98.98457	3.0
104.10748	3.1
105.07024	1.2
107.04980	0.2
107.08575	0.3
109.10117	0.4
111.08057	0.2
119.08582	0.7
121.10184	0.2
124.99997	20.3
129.06987	0.3
131.08539	0.2
133.10118	1.6
139.03873	1.0
143.01045	0.2
143.08510	0.2
151.11140	0.3
161.09604	0.5
165.73808	0.2
166.02654	0.3
173.32414	0.2
184.07329	100.0
185.07645	0.9
193.12245	0.7
211.13297	0.7
253.14284	0.6
261.16064	0.2
267.15921	0.5
271.15430	0.8
280.97455	0.2
285.16904	0.9
325.21411	0.2
445.25732	0.5
463.26926	1.1
468.23459	0.4
481.28006	1.8
660.34540	0.3
678.36035	6.9
679.35706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01856	1.3
55.05501	8.6
57.03435	8.3
57.07065	1.2
60.08143	3.7
61.02922	3.3
63.95280	0.8
65.03925	1.3
67.05496	51.8
69.03416	1.6
69.07062	12.5
69.93213	2.0
69.93624	2.8
71.04983	6.7
71.07364	1.3
73.02899	1.5
78.04042	0.9
79.05486	22.0
80.05839	0.9
81.03407	5.3
81.07048	73.6
83.04967	8.7
83.08614	10.4
85.02898	3.6
85.06532	7.3
86.09696	23.8
91.03918	0.8
91.05467	14.6
93.07034	37.1
95.04951	4.9
95.08597	13.1
97.02900	1.1
97.06529	7.7
97.10161	2.4
98.20782	1.5
98.98460	2.8
99.04432	1.0
99.08068	2.2
104.10724	1.5
105.07016	7.2
107.04938	2.5
107.08582	20.0
109.06493	2.3
109.10146	5.9
111.04438	3.7
111.08078	5.5
117.06995	6.0
119.04880	1.4
119.08572	2.5
121.06509	1.5
121.10135	12.4
123.11694	6.8
123.62991	0.8
124.99989	17.5
129.05576	1.1
129.07042	1.4
131.08548	8.6
133.10107	11.3
135.08055	1.8
135.11687	7.1
147.04387	6.8
147.11670	1.8
148.04672	1.3
149.12120	1.6
149.13248	19.4
151.11165	3.1
153.01845	1.1
153.05360	1.1
154.83206	0.9
157.10173	1.1
159.11690	11.8
167.14182	0.9
177.12709	5.2
184.07321	78.0
187.13234	4.2
193.12184	1.4
195.13785	8.3
211.13277	0.9
213.14752	2.0
243.15881	7.7
264.29694	0.9
267.15866	1.3
269.17450	34.1
270.17889	1.8
276.43567	0.8
286.17270	1.1
287.18427	9.7
423.27310	2.4
433.09250	1.5
437.28955	100.0
438.29602	1.6
445.29367	3.0
449.28952	3.2
450.91119	1.1
463.30481	35.1
479.29236	1.1
480.30154	1.3
481.31476	31.4
607.34491	1.0
632.36426	1.0
678.38068	1.9
679.16217	2.8
679.32672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.05509	18.1
57.03434	8.2
57.07062	4.4
61.02922	20.5
62.86974	1.1
65.03940	2.8
67.05502	86.0
69.03410	5.4
69.07065	19.6
71.04978	2.8
71.08621	1.9
71.26253	1.2
71.72629	1.9
73.02908	7.9
79.05490	52.0
81.03407	3.8
81.07053	100.0
83.04984	2.2
83.08619	10.5
84.80406	1.3
85.02905	24.5
85.06538	2.3
90.93284	1.2
91.03956	18.3
91.05476	29.5
91.06042	1.9
93.07036	65.3
94.07341	1.3
95.04961	4.8
95.08601	70.9
97.02879	11.3
97.06535	4.4
97.10159	4.7
99.08072	3.0
104.09066	1.2
105.04488	1.2
105.07019	23.0
107.08586	38.2
109.02876	2.3
109.06499	2.0
109.10154	36.7
111.08099	2.1
111.11717	1.5
112.70699	1.2
115.03932	1.3
117.07011	12.0
119.08572	18.5
121.06550	1.3
121.10139	38.9
123.08032	1.6
123.11699	18.3
125.09625	2.7
127.03915	5.1
131.07655	2.2
131.08562	24.3
133.10117	17.1
135.11687	31.7
137.09605	2.3
137.13257	6.2
143.89725	1.3
145.04948	7.4
145.10123	14.9
147.11681	13.2
149.09692	1.4
149.12129	2.0
149.13248	21.8
151.11145	2.8
151.14821	2.5
159.11687	14.4
161.13321	9.6
163.06020	9.5
163.14807	13.8
165.12729	3.4
169.10002	1.4
173.13258	16.6
175.14806	2.6
177.16373	6.6
179.14278	2.7
187.14847	9.4
191.14290	1.7
195.13811	1.7
199.73146	1.3
200.38638	1.3
201.16299	2.3
215.18031	1.6
233.22646	3.8
243.21094	31.7
244.21358	1.8
261.22141	85.5
262.22458	3.8
263.23721	1.8
277.89374	1.3
279.23151	5.8
335.25793	28.9
340.92438	1.4
353.26831	26.1
443.27744	1.2
453.21072	1.9
463.30661	2.8
465.20572	1.9
497.31064	4.2
500.70645	1.4
515.36450	1.8
537.66528	1.4
677.35040	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	677.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05500	2.1
55.44282	0.7
56.96520	0.8
57.03433	2.0
60.16341	0.6
61.02926	4.2
67.05496	7.0
69.03422	2.1
69.07060	1.8
71.70062	1.0
72.64518	0.6
73.02896	3.4
79.05469	5.6
81.03416	2.1
81.07047	8.4
83.08604	0.8
85.02911	4.3
87.92848	0.7
90.50623	0.6
91.03949	2.7
91.05471	4.6
92.38885	0.7
93.07025	7.6
95.04939	1.2
95.08582	3.9
97.02864	3.4
97.06518	1.7
101.02396	1.5
105.06988	3.5
107.08572	4.2
109.02874	1.0
109.10149	1.2
112.60602	0.6
117.06982	0.8
119.08598	2.1
121.10128	2.1
127.03923	1.2
129.06982	1.0
131.08543	1.2
133.10143	1.7
135.11720	0.8
143.08546	0.9
145.10083	1.0
147.11719	1.8
149.13260	2.6
159.11618	1.1
161.13200	0.9
163.65207	0.6
172.98477	0.6
207.13727	0.7
243.08441	1.8
247.13086	0.8
261.22125	1.1
269.17554	0.7
319.71396	0.6
356.08984	0.8
357.56128	0.6
373.09494	0.7
374.09708	0.7
430.28693	0.7
453.20877	7.5
465.21014	8.0
480.30557	0.8
636.19403	1.1
677.34973	100.0
678.35254	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	676.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42049	1.0
51.69994	0.9
52.02835	0.9
53.03937	2.6
55.01857	2.5
55.05503	10.7
56.16597	0.8
57.03432	9.5
58.70008	0.9
61.02910	3.5
65.03917	1.6
67.05498	28.8
69.03419	2.4
69.07068	9.0
70.37583	2.6
70.37994	2.1
71.04980	3.6
79.05489	22.2
81.03409	36.3
81.07051	39.6
83.04976	8.9
83.08615	19.8
85.02902	14.2
85.06530	1.6
91.03950	1.5
91.05470	24.3
93.07038	24.4
95.04964	14.6
95.08597	11.6
97.02876	3.1
97.06512	4.8
97.10144	2.4
99.08066	1.5
105.07028	12.8
107.04935	3.4
107.08586	13.7
109.06513	3.1
109.10144	2.5
111.08094	7.0
117.07018	3.5
119.08572	10.7
121.06483	2.1
121.10133	8.4
123.08063	1.0
123.11700	3.0
127.04023	1.1
129.06952	5.8
129.58040	1.1
131.08556	9.5
133.06471	1.5
133.10126	11.0
134.54204	1.1
135.11673	3.4
136.40152	1.2
143.12407	1.4
145.10086	1.4
147.07997	1.2
147.11671	9.1
149.09627	3.3
149.13245	5.7
151.66728	1.0
157.10098	8.0
159.11659	3.7
165.12755	2.4
175.11220	8.3
177.12788	1.8
193.12221	21.5
195.13762	5.5
211.13275	34.9
267.15912	12.7
269.17459	39.4
285.16940	38.2
291.73483	1.1
305.81857	1.1
382.15982	1.2
461.28845	21.6
462.29587	1.2
479.30038	100.0
480.30219	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	676.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
53.63823	0.7
55.01861	1.7
55.05507	10.6
56.35322	0.7
57.03432	9.0
57.07063	1.4
61.02909	2.8
65.03922	1.6
67.05151	1.7
67.05501	33.2
69.07065	13.9
71.04974	3.4
79.05490	19.0
81.03404	1.7
81.07051	67.4
83.04984	5.1
83.08619	9.7
85.02889	2.0
85.06557	5.0
85.89825	0.9
91.05473	15.6
93.07041	26.7
95.04951	3.0
95.08593	15.3
97.02845	1.1
97.06524	7.8
97.10123	1.0
99.08087	2.5
101.05965	1.0
105.07028	15.9
107.07925	1.4
107.08593	18.6
109.06511	4.9
109.10106	1.5
111.08054	3.6
113.05984	1.1
117.07002	3.8
119.08575	14.9
121.06518	1.2
121.10131	18.7
122.53307	0.8
123.08038	2.5
123.11700	15.6
125.09661	0.9
126.65056	0.7
127.07515	1.0
131.08574	4.3
133.10141	4.4
135.11671	4.3
137.13229	1.5
147.11679	35.5
149.13245	14.8
153.76363	0.9
157.10092	1.2
159.11674	7.2
165.12752	12.1
175.11153	1.1
177.12727	3.4
183.13791	1.4
193.12279	0.8
195.13812	6.5
209.18184	0.8
213.14883	2.0
229.14313	3.0
233.49196	0.8
237.86302	0.7
267.12900	1.3
267.15897	41.0
269.17459	52.1
270.17923	1.9
285.16959	28.6
348.60748	0.9
434.84982	0.8
478.14868	0.9
479.30023	100.0
480.30438	5.9
512.24091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01872	3.1
55.05502	11.3
57.03432	11.6
61.02921	2.8
65.03931	1.5
65.79217	0.8
67.05497	36.5
69.03415	3.0
69.07065	12.9
70.83249	0.9
70.83587	2.3
71.04988	3.8
73.02910	1.3
76.09141	0.8
79.05489	25.4
81.03409	42.3
81.07047	45.1
83.04968	11.8
83.08609	19.5
85.02892	12.5
85.06537	2.8
91.03931	1.3
91.05473	24.3
93.06440	1.9
93.07036	36.7
95.04955	17.5
95.08592	13.2
97.02904	4.3
97.06528	6.8
97.10157	3.1
99.08093	2.1
105.07016	16.0
107.04948	3.7
107.08582	19.3
109.06512	3.8
109.10158	3.0
111.08073	9.8
113.05999	1.7
117.07007	5.3
119.08562	12.8
121.06441	1.6
121.10126	12.2
123.08073	1.4
123.11704	1.7
125.09583	1.5
129.07010	5.6
131.08528	9.4
133.06435	1.1
133.10104	9.4
135.11696	5.0
137.09654	1.0
142.07744	1.9
143.33786	0.9
145.10085	1.2
147.08044	1.7
147.11678	9.2
149.09624	5.2
149.13242	19.4
151.11087	0.8
157.10130	8.8
159.11662	7.8
165.12781	2.3
175.11200	9.7
177.12703	4.1
185.76274	1.1
193.12234	27.3
194.99960	0.7
195.13799	9.5
211.13277	49.7
213.14922	1.1
243.43652	1.1
264.17078	1.0
267.15894	27.5
269.17447	75.1
270.17819	2.0
285.16934	38.9
286.17368	1.3
345.01044	0.9
387.25146	1.3
435.27032	1.1
443.28125	1.0
444.85712	0.8
461.28934	52.3
462.29181	3.3
479.29999	100.0
480.30484	5.4
544.18750	0.9
695.14545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21216	0.7
51.02366	0.7
53.03937	1.9
55.01875	4.5
55.05510	11.5
57.03434	9.8
57.07054	1.3
59.04993	1.6
60.72337	0.7
61.02929	3.8
65.03936	1.2
67.05503	21.8
69.03423	1.6
69.07064	7.0
69.39288	6.4
69.39711	1.9
71.04978	5.1
73.02916	1.8
77.35532	0.9
79.05488	20.5
81.03416	13.6
81.07055	32.8
83.01337	4.4
83.04987	9.6
83.08621	12.7
85.02913	7.1
85.03377	1.3
85.06526	2.4
91.03934	1.3
91.04933	1.1
91.05481	16.0
91.06049	1.0
93.07041	26.8
95.04964	7.7
95.08609	10.2
95.21450	0.8
97.02895	4.0
97.06516	4.9
97.10173	1.4
99.04446	2.1
99.08092	1.1
105.07029	9.4
107.04955	4.8
107.08592	13.4
107.09272	1.4
109.06522	4.2
109.10160	2.5
111.04443	2.3
111.08072	3.1
113.05910	0.9
117.06994	6.0
119.08569	5.3
121.06500	2.3
121.10152	9.1
123.08069	4.5
123.11699	1.7
125.06045	0.8
125.09602	1.1
129.07014	2.6
131.08575	6.2
133.10129	7.2
133.24036	0.7
135.08086	1.8
135.11687	8.9
145.06471	1.4
145.10130	7.4
147.04413	1.0
147.08015	2.5
147.11642	1.5
149.02362	1.3
149.09683	1.5
149.13258	5.8
153.12711	1.6
155.08479	1.1
157.10175	1.2
159.11688	2.5
163.11166	12.2
173.09673	2.3
175.11224	1.6
177.12788	1.2
181.12221	2.3
191.10722	1.1
193.12212	3.6
195.13802	6.2
209.11679	4.0
211.13304	1.8
213.14835	1.0
227.12828	2.7
228.23207	1.4
267.15897	9.0
269.17480	28.3
283.15393	53.8
285.16968	1.6
433.25873	1.0
459.27414	5.3
477.28479	100.0
478.28827	1.6
563.36493	0.9
674.35242	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	674.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.5
55.05279	1.5
55.05507	18.2
57.03436	6.5
59.05003	1.8
61.02926	7.2
65.03913	1.3
65.50329	1.2
66.15961	1.1
67.05144	2.0
67.05498	36.9
69.03426	3.1
69.07060	9.8
70.83468	1.1
70.90259	2.9
71.04976	3.5
79.05489	24.4
81.03403	9.2
81.07046	35.9
83.04968	9.4
83.08619	12.7
85.02910	6.5
85.06503	2.3
91.03951	1.5
91.05474	25.2
93.07032	23.4
95.04951	15.7
95.08606	11.0
95.49447	1.1
97.02873	3.2
97.06530	5.9
97.10167	12.9
99.04424	1.3
103.05449	1.4
105.07027	18.6
107.04927	8.7
107.08581	20.8
109.02882	1.8
109.06528	5.8
109.10148	12.8
111.04424	6.8
111.08045	3.9
117.07018	10.7
119.04912	2.1
119.08572	10.9
121.06458	7.3
121.10117	7.6
123.04436	2.2
123.08057	4.0
123.11698	2.1
125.09637	9.6
129.07021	5.7
131.08565	13.1
133.06470	2.8
133.10118	15.6
135.04330	1.4
135.08023	5.8
135.11682	7.8
137.06032	1.2
141.17792	1.0
143.08536	4.2
145.06512	6.9
145.10121	8.2
147.04384	1.6
147.08041	4.4
147.11676	2.6
149.09621	3.4
149.13237	3.8
151.11179	5.2
153.07042	1.4
153.09061	3.5
153.12738	3.4
155.08507	3.5
157.10150	3.6
159.07999	2.7
159.11674	4.3
161.05984	2.8
161.09549	1.9
163.11176	9.0
164.06151	1.1
167.08498	1.6
169.10066	1.6
171.08084	1.6
171.11676	3.7
173.09637	2.7
175.11179	2.0
177.12796	1.3
181.10103	1.3
181.12213	2.9
185.13266	2.4
187.11153	1.4
189.11189	3.3
189.12775	1.5
191.10683	2.9
193.12222	3.6
195.13725	2.2
197.13316	2.7
207.13892	1.6
213.12711	1.9
215.14339	3.2
227.12779	4.1
231.13789	2.0
233.15314	4.4
245.15396	1.3
252.68156	1.5
267.15848	2.1
269.17474	7.8
273.14847	1.8
283.15363	9.1
287.16425	1.7
324.15060	1.1
339.23141	2.1
349.21655	3.4
357.24152	5.2
367.22723	12.2
368.22992	1.4
385.23703	31.0
403.24887	6.6
431.27667	2.3
441.26257	2.5
459.27399	100.0
460.27689	3.2
477.28436	93.1
478.28616	4.8
492.34979	1.6
495.29684	8.1
504.78986	1.4
510.75815	1.3
575.00769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.1
55.05505	11.2
57.03433	4.3
57.07060	1.0
61.02914	3.5
65.03918	1.7
67.05145	1.7
67.05495	24.8
69.03413	3.5
69.07063	7.5
71.04967	3.6
71.44884	1.5
73.02899	1.6
79.05481	19.4
81.03404	9.7
81.07048	24.0
83.04981	8.9
83.08614	9.3
85.02904	4.6
85.06522	1.7
91.03936	1.0
91.05469	17.8
93.07037	19.1
95.04958	12.3
95.08598	9.2
97.02874	2.9
97.06535	5.0
97.10159	9.3
99.04462	1.3
99.08072	0.9
105.07018	13.5
107.04948	6.9
107.08576	16.2
109.06506	3.6
109.10146	9.1
111.04408	5.7
111.08076	3.9
113.05985	0.8
115.05480	1.0
117.07001	6.1
119.04906	1.6
119.08578	7.7
121.06492	3.8
121.10135	7.9
123.04397	1.8
123.08039	2.4
123.11671	3.3
125.09624	7.5
125.17612	0.9
127.07521	0.8
129.05498	1.0
129.06950	3.8
131.04880	1.3
131.08549	8.6
133.06497	3.3
133.10121	12.1
135.08037	2.8
135.11673	6.5
137.05971	0.9
137.09616	2.4
141.06999	1.0
143.08539	3.9
145.06471	3.0
145.10141	5.3
147.04382	2.1
147.08049	3.1
147.11684	5.8
149.09557	2.6
149.13269	2.7
151.11157	4.3
153.09081	2.4
153.12688	4.7
155.08539	2.3
157.10101	2.2
159.08002	1.2
159.11690	3.1
161.05910	1.2
161.09586	2.3
163.11157	6.2
164.85388	0.8
165.12650	1.1
169.10143	1.9
171.08118	1.9
171.10184	0.9
171.11671	2.4
173.09604	3.3
175.11240	2.2
181.10141	1.0
181.12198	3.0
185.09645	1.0
185.13231	1.6
187.14838	2.0
189.11230	4.6
189.12709	1.7
191.10663	2.8
193.12216	5.9
195.11699	1.0
195.13632	0.9
197.13257	1.8
199.11163	1.6
199.14809	1.2
205.15945	1.8
207.13760	1.5
209.11659	1.1
211.13298	2.4
213.12852	1.7
215.14320	1.4
227.12711	5.3
229.14430	1.1
233.15338	3.6
267.15842	5.3
269.17517	6.8
273.14767	1.5
283.15286	7.1
285.16959	4.9
321.22009	0.8
339.23026	2.9
349.21637	3.1
357.24185	3.3
367.22623	12.7
377.01694	2.0
385.23715	27.9
386.23953	1.1
393.18408	0.8
403.24823	7.0
411.37256	0.8
431.27927	2.3
441.26248	3.2
449.28564	1.0
459.27371	100.0
460.27933	2.7
477.28430	92.0
478.28815	2.8
495.29434	11.0
639.33685	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	673.43
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.4
53.03937	9.5
55.01855	4.5
55.05510	26.8
57.03429	5.6
57.07061	2.7
65.03927	7.7
67.05499	85.0
69.03427	45.2
69.07069	24.7
69.40807	7.1
69.41232	9.1
71.01348	2.0
71.04991	7.1
79.05486	65.8
81.03415	27.4
81.07053	100.0
83.04969	12.6
83.08609	16.5
85.02911	6.1
85.06541	7.4
86.20529	1.5
87.04466	1.8
89.06008	2.1
91.05037	1.4
91.05473	63.4
93.07037	73.5
95.04964	18.6
95.08597	50.8
97.02878	8.5
97.06522	10.6
97.10168	2.9
99.04437	2.9
99.08115	2.4
103.03946	1.6
103.05430	2.3
105.07030	43.8
107.04942	8.0
107.08583	38.6
109.02839	6.4
109.06522	9.9
109.10148	16.3
111.04426	7.3
111.08071	4.6
113.06081	1.8
115.05439	4.3
117.07000	25.3
119.08572	29.1
121.06521	6.5
121.10143	27.7
123.04455	2.6
123.08060	5.9
123.11700	7.6
125.09651	2.1
127.03927	4.7
128.06233	3.4
129.05466	1.9
129.06992	12.1
130.07790	2.0
131.08562	29.9
133.06483	5.5
133.10126	31.0
135.08072	7.8
135.11679	17.4
135.30588	1.4
137.05818	1.9
137.09683	3.3
141.07001	3.9
142.07745	2.8
143.08568	17.2
144.09267	1.9
145.06459	5.1
145.10097	17.7
147.08037	6.0
147.11668	18.9
149.09572	3.9
149.13261	17.8
151.11139	2.3
155.08524	8.1
157.06479	2.2
157.10118	11.1
159.08022	3.5
159.11691	19.1
161.09616	4.7
161.13272	8.6
163.11276	2.0
165.12756	5.4
169.10153	6.4
171.11667	5.8
173.09581	3.8
173.13219	9.5
174.36467	1.5
175.11166	4.4
177.12700	8.5
179.14392	1.8
181.10150	3.3
183.11703	5.1
185.09653	4.4
185.13261	6.2
187.11243	4.3
187.14790	3.4
189.12778	3.0
195.11978	2.7
195.13763	13.4
197.13252	2.8
199.11269	2.0
199.14813	3.5
201.12750	2.2
203.14235	1.6
209.13275	1.7
211.11246	2.5
211.14998	1.9
212.78592	1.6
213.12750	3.6
215.14258	2.3
223.14883	2.4
227.14494	1.9
233.15305	2.3
235.16942	2.1
259.20639	3.6
261.22165	2.1
267.15906	2.6
269.17505	18.7
270.18079	1.8
271.20264	2.1
273.22141	3.2
277.21524	3.9
289.21555	2.5
301.21649	7.1
313.21625	2.8
315.23096	4.2
319.22751	1.9
323.23730	2.1
327.23132	5.4
329.24438	1.7
339.18188	2.7
341.24780	2.6
345.24344	1.6
351.23154	6.5
353.24640	2.2
369.24185	13.8
375.25323	3.5
387.25278	9.7
395.20581	3.6
405.26035	2.6
443.27783	5.1
461.29205	9.6
475.77676	2.0
529.38770	2.8
569.38916	2.1
637.41162	7.3
655.42328	7.7
673.42981	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.0
55.01868	6.6
55.05505	25.1
56.66290	1.8
57.03420	6.1
57.07076	4.3
59.04992	6.8
59.64284	1.5
62.89485	1.7
65.03922	6.9
67.05495	79.5
69.03423	42.4
69.07057	22.7
70.31734	9.6
71.04980	6.4
71.08629	2.5
77.03927	1.6
79.05482	61.5
81.03406	33.9
81.07047	100.0
83.04969	11.1
83.08610	17.4
85.02879	5.2
85.06532	5.5
91.05470	60.9
93.06439	3.6
93.07035	74.7
95.04962	20.7
95.08591	47.1
97.02880	6.0
97.06526	10.6
97.10146	3.7
99.04447	4.5
99.08091	2.4
103.05471	2.5
105.04486	2.9
105.07020	45.1
105.07726	2.7
107.04943	7.7
107.08581	48.0
109.02875	7.3
109.06506	7.4
109.10135	19.7
111.04435	8.1
111.08060	5.3
113.06003	2.4
117.07006	25.2
119.08565	26.9
121.06499	8.2
121.10122	24.3
123.04457	2.8
123.08052	5.8
123.11700	7.4
125.09645	2.1
127.03893	4.9
128.06212	3.9
129.06990	10.6
131.08546	31.1
133.06480	4.9
133.10110	24.2
135.08026	4.4
135.11679	16.6
137.09605	2.9
141.06979	4.8
142.07837	2.7
143.08548	10.2
145.06462	5.6
145.10110	18.7
147.08014	5.1
147.11658	16.8
149.09627	4.6
149.13229	18.0
151.11110	2.6
155.08499	5.3
157.06421	1.8
157.10118	7.8
159.08023	3.4
159.11668	23.3
161.09605	3.8
161.13197	4.8
163.11203	2.6
163.14722	2.8
165.12732	4.2
169.10153	5.4
171.07993	3.0
171.11674	10.6
172.75798	1.8
173.09598	2.4
173.13196	9.2
175.11163	4.3
175.14807	2.5
177.12733	8.2
181.10135	2.5
183.11664	4.7
184.07301	2.6
185.09650	3.3
185.13249	6.1
187.11226	4.3
187.14792	3.9
189.12729	3.2
191.10501	1.8
195.11818	4.0
195.13802	13.9
197.13245	6.4
199.14832	2.5
201.12781	3.3
207.11700	2.0
209.13237	3.4
211.14894	3.0
213.12830	3.1
213.14709	2.7
215.14146	2.6
217.16351	1.6
219.13788	1.8
227.14330	2.4
257.18875	2.4
259.20566	4.0
261.22293	3.0
267.15915	3.5
269.17468	18.2
271.20459	2.6
273.21848	3.1
277.21594	4.6
287.19849	2.2
301.21545	7.6
313.21497	4.2
315.23160	2.4
319.22659	3.5
327.23132	4.2
335.25772	2.5
339.18079	4.2
341.24722	4.2
345.24359	2.0
351.23035	7.7
359.26007	2.0
369.24228	15.1
371.25705	2.4
387.25220	6.3
395.20795	2.7
405.26147	3.7
425.26788	2.6
443.27960	7.1
461.28958	9.1
529.38348	3.9
582.78320	1.9
637.40778	5.2
655.41547	7.4
673.43091	47.3
674.42999	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	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05507	6.9
57.03446	4.7
57.07074	40.2
58.06583	0.9
58.61236	0.8
61.02632	1.0
61.02921	14.8
65.57922	0.9
67.05502	16.7
67.60402	0.8
68.05839	1.1
69.03410	2.9
69.07067	9.0
71.04996	1.2
71.08632	31.5
73.02917	6.4
75.04467	2.3
76.07632	1.1
79.05499	6.0
80.05802	1.1
81.03411	4.8
81.07054	22.0
82.07384	1.3
83.04971	1.1
83.08621	13.3
85.02905	16.9
85.09708	1.0
85.10189	17.2
89.06029	1.1
91.03957	12.9
91.05466	6.1
92.05795	0.9
93.07047	5.7
95.04965	3.4
95.08024	1.6
95.08607	26.2
96.08938	0.9
97.02896	12.0
97.10168	6.9
98.20657	1.5
99.04453	1.5
99.11735	1.7
103.05441	1.1
103.07572	1.1
105.07021	3.5
106.07307	1.2
107.04948	1.5
107.08582	3.0
109.06511	0.8
109.10155	14.0
111.11703	1.6
115.05437	1.2
117.07025	1.1
119.08573	2.5
121.10125	1.8
123.11703	4.7
125.09659	1.0
125.13221	1.0
127.03926	5.8
128.06148	0.7
129.06999	1.9
131.08539	1.4
132.09125	0.9
133.06483	1.4
133.10124	1.1
135.08080	1.0
137.13249	1.7
143.08583	0.9
145.04939	7.1
145.10143	1.7
147.08078	0.9
147.93358	0.8
151.14822	1.0
157.10115	1.7
159.11647	1.0
163.06024	10.5
163.11177	0.9
172.12074	0.8
211.11180	0.9
221.22502	1.1
223.34113	0.8
230.27657	1.2
239.23688	27.1
257.24670	3.4
273.14771	0.9
274.15070	1.0
301.14386	1.1
313.27359	100.0
314.27747	4.6
331.28436	34.7
332.28705	1.4
364.74661	0.8
636.39337	3.1
654.40503	2.3
672.41626	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	672.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01852	1.1
55.05506	6.0
57.03441	3.8
58.91572	0.4
61.02925	0.6
65.03944	1.0
67.05499	24.0
69.03437	0.6
69.07058	6.2
71.04980	0.9
79.05026	1.2
79.05489	23.7
80.67097	0.4
81.03426	2.8
81.07052	28.1
83.04986	5.3
83.08620	6.4
85.02903	1.0
85.06539	1.4
91.05473	17.8
93.07037	30.0
95.04950	6.4
95.08595	8.6
97.06516	3.3
97.07568	0.5
97.10149	1.4
97.79817	0.5
105.07026	10.8
107.04942	2.0
107.07873	0.4
107.08578	11.6
107.15571	0.5
109.06524	2.3
109.10139	1.6
111.08077	1.8
113.77554	0.5
115.83746	0.5
117.07025	4.6
119.08571	7.5
121.06528	1.0
121.10129	5.5
123.08067	1.3
123.11706	0.7
127.07536	0.6
128.06291	0.6
129.06998	4.3
131.08560	2.5
133.10118	5.3
135.08031	1.1
135.11707	2.9
139.11147	0.7
143.08560	2.2
145.10094	2.7
147.11668	11.8
149.13240	8.0
152.46599	0.5
152.92612	0.5
159.11667	2.9
160.66808	0.6
161.09668	1.1
161.13235	3.6
171.11682	7.8
177.12706	1.4
189.12729	4.0
195.13831	3.1
207.13788	10.3
225.14877	1.2
251.16519	0.6
269.17471	25.4
281.17456	21.7
401.91830	0.5
457.29807	1.3
475.30539	100.0
476.30936	2.6
550.83264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25491	0.5
51.02357	0.5
53.03934	2.5
55.01866	1.1
55.05504	8.1
57.03435	4.3
65.03920	1.7
67.05500	27.0
68.06186	0.5
69.03411	1.0
69.07063	8.4
70.75550	1.8
71.04981	2.1
73.02921	0.5
75.46537	0.5
79.05483	28.7
81.03411	4.4
81.07052	31.2
83.04973	6.0
83.08620	6.2
85.02908	0.8
85.06524	2.0
86.09714	0.6
87.10811	0.5
91.05470	20.6
93.07038	32.2
94.07388	0.8
95.04961	7.7
95.08598	11.8
97.02898	1.4
97.06521	4.4
97.10173	1.8
99.04461	0.6
99.08094	0.9
105.04504	0.6
105.07024	13.3
107.04961	2.1
107.08584	12.9
109.06517	2.8
109.10166	2.3
111.08074	2.1
112.09349	0.6
115.05451	0.6
117.06999	5.4
119.08571	7.9
121.06489	1.7
121.10134	4.4
123.08051	2.4
123.11730	1.3
124.99815	0.5
128.06296	0.7
129.06989	4.6
131.08559	3.8
133.10120	6.9
135.08067	1.0
135.11694	3.1
140.62885	0.6
143.08563	2.3
145.10094	3.0
147.08064	0.6
147.11678	12.0
148.11954	0.5
149.13240	5.8
149.74951	0.5
159.11731	3.2
161.09604	0.8
161.13239	3.4
163.11082	0.9
171.11678	8.1
177.12790	2.0
184.07353	1.5
189.12715	2.7
195.13779	3.8
195.31743	0.6
207.13783	9.9
263.16348	0.6
269.15240	0.4
269.17453	18.9
281.17462	21.9
288.63541	0.6
475.30527	100.0
476.30865	2.4
619.34674	1.6
673.37054	0.7
694.17059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.5
55.01861	7.7
55.05510	47.2
57.03431	20.0
59.05001	4.6
61.02898	3.4
62.63264	2.5
65.03937	3.9
67.05156	3.8
67.05501	62.6
69.03417	24.2
69.07055	15.6
70.06560	2.9
71.01315	2.7
71.04984	22.5
71.70313	3.9
79.05486	62.4
81.02966	5.4
81.03413	97.9
81.07053	66.2
83.04974	48.9
83.08615	30.0
85.02895	20.0
85.06528	4.0
91.05470	44.4
93.07040	45.6
95.04958	50.1
95.08606	26.6
97.02902	15.6
97.06502	11.0
97.10172	37.2
99.04429	7.7
103.05413	4.1
105.07031	36.6
107.04942	33.0
107.08600	31.3
109.02880	10.5
109.06518	15.1
109.10155	16.1
111.04459	19.6
111.08059	12.8
115.05421	3.9
117.07026	14.7
119.04890	4.1
119.08584	24.3
121.06516	20.2
121.10125	21.5
123.04382	8.4
123.08041	7.1
123.11702	6.7
125.09627	29.4
127.03894	7.3
129.05450	11.2
129.06972	16.5
131.04938	5.1
131.08586	24.8
133.06468	3.6
133.10121	14.5
135.04407	3.8
135.08044	13.2
135.11662	6.9
137.09654	4.1
139.11168	3.5
142.07755	5.0
143.08508	7.7
145.06470	11.9
145.10120	13.2
145.65149	2.8
147.04372	9.5
147.08040	9.0
147.11627	16.4
149.09589	11.5
153.09172	4.1
157.10147	16.2
159.08069	7.2
159.11679	5.2
161.05891	5.4
163.11154	9.2
165.12706	4.4
171.07985	3.4
171.11610	4.9
173.04420	14.1
173.05812	3.2
173.09636	3.7
173.11746	6.0
175.11180	15.2
181.12231	3.1
183.08099	4.8
183.11620	3.7
187.11263	4.4
189.11163	13.6
189.12712	5.8
191.10666	5.0
193.12202	28.6
195.11678	4.4
205.15729	4.1
209.11668	6.5
211.13289	25.1
213.12798	6.3
215.14313	5.0
217.12311	4.0
219.13893	8.0
223.13266	4.9
225.14795	5.6
227.12733	14.3
229.14314	4.3
231.13702	4.5
233.15395	15.2
235.13197	3.4
261.14722	3.9
265.14618	3.2
267.15881	36.3
273.14740	7.8
285.16928	7.0
289.03317	3.4
293.17352	4.4
301.14252	5.5
317.02942	5.1
319.04282	5.6
321.21979	3.1
339.23126	4.3
349.21573	8.5
367.22543	26.4
385.23724	36.6
403.24634	14.6
441.26175	6.7
459.27420	93.3
477.28510	100.0
483.09598	4.5
491.29947	21.8
501.28143	3.4
509.31006	19.1
575.10809	4.2
585.29755	3.8
621.32190	10.5
653.35071	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	668.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63461	1.0
53.03935	1.9
55.01847	1.9
55.05509	7.6
55.97905	1.2
57.03431	12.1
59.04993	2.7
61.02922	1.2
65.03920	1.6
67.05498	68.6
69.03410	2.0
69.07053	4.2
71.04974	3.8
71.71584	1.6
72.49435	1.2
79.05492	9.2
81.03407	50.5
81.07049	16.7
83.04973	5.0
83.08612	15.6
85.02895	3.1
85.06522	2.0
91.03936	1.2
91.05470	17.0
93.07034	9.3
95.01311	1.2
95.04958	17.2
95.08586	6.4
97.02886	3.9
97.06536	1.6
97.10172	1.6
105.07008	7.4
107.04958	3.8
107.08578	4.9
109.06504	3.1
109.10143	62.9
111.04445	3.0
111.08072	7.9
113.88708	1.2
117.07013	1.8
119.04952	1.4
119.08580	11.2
121.06509	3.4
121.10137	5.6
123.08041	1.7
125.09665	1.8
127.03949	1.5
129.07001	5.0
131.08530	6.5
133.10121	4.6
135.11661	1.5
137.09607	4.9
139.03941	1.5
145.10187	1.8
147.04364	4.4
147.08154	2.1
147.11650	5.7
149.09598	3.6
155.10696	3.5
157.10107	7.3
173.11713	21.9
175.11150	6.8
189.11148	1.4
191.10529	1.3
193.12244	17.4
211.13232	2.3
227.12712	1.5
229.14328	91.4
231.53539	1.4
249.14728	1.4
267.15900	92.9
268.16281	2.5
279.37854	1.1
325.08154	1.5
329.21121	2.5
393.05768	1.4
403.24802	12.5
416.56262	1.4
421.25827	100.0
422.26117	3.5
463.27017	2.2
547.28711	1.9
557.00580	1.3
668.32904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96576	0.7
53.03943	5.6
55.01868	3.7
55.05507	21.6
57.03440	8.8
57.07073	53.7
65.03931	2.1
67.05501	40.9
69.03426	22.9
69.07066	16.0
69.54877	3.9
69.55306	2.6
71.01328	0.8
71.04991	8.9
71.08627	39.5
73.02915	1.1
79.05492	22.2
81.03413	100.0
81.07052	47.1
81.07553	1.2
83.01337	2.7
83.04507	1.2
83.04977	15.5
83.08614	30.7
85.02895	14.4
85.06535	2.3
85.10175	19.6
88.17692	0.8
91.05471	26.3
93.07043	18.4
95.04962	22.3
95.08598	41.3
97.02883	25.7
97.06499	4.8
97.10158	10.3
99.04442	8.2
99.08103	1.9
99.11732	0.9
101.02406	1.2
103.05458	2.8
105.07019	19.8
107.04963	7.0
107.08597	6.6
109.02877	20.6
109.06522	5.1
109.10145	16.9
111.04441	13.7
111.08074	8.8
111.11720	1.9
113.06018	1.6
115.05467	2.1
117.06989	4.1
119.04939	1.0
119.08568	16.4
120.08973	0.9
121.06503	3.9
121.10143	7.3
123.04398	1.8
123.08041	2.6
123.11679	8.1
125.06032	2.2
125.09644	2.3
125.13242	1.0
127.03902	18.5
127.07581	2.2
128.06258	1.2
129.05493	3.2
129.06978	9.5
131.04930	4.2
131.08560	10.4
133.06499	2.4
133.10114	9.8
135.04448	0.9
135.08067	1.6
135.11687	3.2
137.09615	1.8
137.13266	2.4
139.03856	1.0
139.07631	0.8
141.07031	0.9
142.07765	2.0
143.08566	1.6
145.04919	1.1
145.06490	1.3
145.10158	3.8
147.08052	3.2
147.11682	19.1
149.06024	2.3
149.09601	4.0
151.11194	0.9
151.14877	1.1
153.05423	1.2
153.12704	1.5
155.08527	0.9
157.06429	0.9
157.10107	11.1
159.11656	0.9
161.09587	1.4
163.11172	4.9
165.12737	7.4
167.07126	0.9
169.08632	1.5
171.07985	0.9
171.11694	2.2
173.04489	2.6
173.09624	2.0
175.11176	9.7
177.05499	0.9
178.31465	0.7
181.10207	0.8
181.12201	3.8
183.06525	1.0
183.13797	0.9
191.08913	1.2
191.10641	5.4
193.12231	43.1
195.06520	11.7
209.11725	1.9
209.13470	1.0
211.13283	60.8
212.13725	1.1
213.07623	3.5
219.08022	1.6
221.22780	0.8
227.12691	7.0
229.12299	0.9
229.14447	3.0
235.13382	1.2
237.12769	0.8
239.23697	10.2
249.14929	2.6
255.13849	1.8
257.24799	1.2
259.13324	1.0
262.42950	0.8
265.14410	1.3
267.15891	10.7
273.14917	3.1
283.15622	1.2
285.17093	2.2
291.16031	1.2
299.12796	9.1
301.14252	2.6
309.17072	1.0
313.27328	34.7
319.15381	2.1
337.16397	6.1
341.26865	2.1
355.17508	11.4
355.28799	0.9
369.17038	2.7
383.28009	3.9
393.19113	2.2
411.20135	9.5
505.38947	6.7
523.39978	17.3
539.39227	1.2
585.41260	0.9
649.42957	3.0
667.44110	82.6
668.44250	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	667.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03939	7.6
55.01862	4.6
55.05510	20.9
57.03437	8.1
57.07073	51.8
63.92704	0.8
65.03921	2.5
67.05502	39.4
69.03051	1.3
69.03425	23.0
69.07063	17.4
71.01348	2.2
71.04980	8.2
71.08627	39.7
71.71787	1.2
73.02924	0.8
78.84506	0.7
79.05486	22.6
81.03413	100.0
81.07051	48.9
83.04974	15.4
83.05436	1.5
83.08619	28.1
85.02898	17.9
85.06528	2.0
85.10180	17.3
91.05473	28.8
92.76868	0.7
93.06458	1.1
93.07034	18.7
95.04961	22.5
95.08602	37.4
97.02889	27.3
97.06554	3.9
97.10159	9.2
99.04457	7.2
99.08063	2.2
99.11728	1.0
101.32726	0.8
103.03909	0.9
103.05441	1.2
105.07028	20.3
107.04946	8.6
107.08597	6.4
109.02876	19.3
109.06520	4.3
109.10152	15.4
109.26418	0.8
111.04430	12.8
111.08079	5.9
111.11705	1.3
113.06004	1.3
115.05456	2.1
117.07005	5.1
119.04986	1.1
119.08573	15.9
121.06509	2.4
121.10133	8.2
123.04424	3.0
123.08079	1.8
123.11705	7.2
125.09635	2.1
127.03911	17.1
128.06233	2.3
129.05542	1.5
129.06989	8.8
131.04968	1.9
131.08563	8.0
133.06465	3.6
133.10120	8.2
135.08044	1.8
135.11720	2.9
137.06004	1.8
137.09627	1.2
137.13249	2.7
142.07736	1.4
143.08554	2.3
145.06500	2.1
145.10109	4.5
147.04410	1.4
147.08064	3.9
147.11676	21.0
149.06020	1.9
149.09636	3.8
153.12750	1.8
155.08580	1.6
157.06493	1.8
157.10118	10.3
159.08101	1.4
159.11670	1.1
161.06029	1.0
161.09682	1.1
163.11208	5.8
165.12743	6.2
169.10095	1.2
171.08086	1.4
171.11742	2.0
173.04506	3.0
173.09576	1.0
175.11165	10.4
181.10152	0.9
181.12263	3.0
183.06610	1.8
183.13913	1.1
185.09801	0.8
185.13377	0.7
189.11253	1.1
189.12825	2.5
191.10724	4.0
193.12228	30.7
207.13850	1.4
209.11592	0.9
211.13286	48.1
213.12897	1.4
215.71411	0.8
227.12679	6.5
229.14397	3.1
235.13388	2.9
237.12733	1.2
239.23701	9.5
245.15436	0.8
247.13472	1.1
249.14891	2.5
255.13780	1.8
257.24954	0.9
261.14792	0.7
265.14502	1.0
267.15884	14.1
271.82639	0.8
273.14874	4.5
274.39459	1.1
277.14407	0.9
283.15637	0.9
285.16968	2.5
301.14221	4.3
309.16858	0.9
313.16269	0.9
313.27356	36.9
319.15390	2.3
337.16495	7.6
341.26917	1.8
347.18683	1.2
355.17548	10.2
375.17929	1.2
383.28049	2.6
393.19104	2.7
411.20212	10.7
505.39096	7.1
523.39941	11.8
547.39893	1.2
585.41321	1.1
613.40735	1.2
631.41571	1.5
649.43176	3.8
667.44122	76.9
668.44177	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3291
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
50.17172	0.3
53.03926	0.8
55.01862	0.7
55.05507	1.3
57.03436	2.0
59.36667	0.3
61.02915	3.2
67.05489	4.2
69.02155	0.3
69.03430	2.1
69.07054	1.1
71.01345	0.5
71.04988	0.8
71.73167	0.6
73.02914	2.2
79.05479	3.8
81.03407	3.7
81.07043	2.9
83.04975	1.2
83.08604	0.8
85.02894	5.2
87.04472	0.4
91.03954	1.9
91.05463	3.1
93.07037	3.7
95.04968	1.4
95.08598	1.0
97.02895	2.8
97.06533	1.1
97.10182	1.3
99.04425	0.6
101.02381	1.2
103.03903	0.4
105.07024	2.3
107.04980	0.5
107.08573	3.0
109.02883	1.1
109.06556	0.5
109.10169	1.0
111.04395	0.7
111.08083	0.5
117.07032	0.5
119.08537	1.9
121.10129	0.7
127.03931	1.7
129.06981	1.0
131.08537	1.2
133.10147	1.0
135.11687	4.0
145.10114	1.2
147.04433	0.6
147.11722	1.1
157.10086	0.5
163.11212	0.6
175.11124	0.8
193.12227	1.0
211.13417	0.5
221.11481	0.9
243.08371	1.3
251.12541	1.2
274.86002	0.4
277.14166	0.6
328.54596	0.4
439.19409	8.5
469.20422	5.6
505.27628	0.4
667.32916	100.0
668.33258	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	665.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05514	2.9
56.63948	0.3
57.07058	0.6
63.02373	0.4
63.10026	0.4
65.03949	0.5
67.05502	4.1
69.03410	1.3
69.07059	3.0
70.32124	1.7
70.69520	0.3
71.04983	0.4
78.04709	0.6
79.05499	2.5
81.03387	1.1
81.07050	6.9
83.04990	1.9
83.08602	1.3
89.03913	7.2
90.80000	0.3
91.05479	4.5
93.07040	8.3
95.04969	1.9
95.08601	10.8
97.02941	0.3
97.06515	1.4
97.10151	0.8
98.20811	0.5
99.08068	0.7
103.05444	0.7
105.07022	9.8
106.04158	0.5
107.04972	0.6
107.08584	11.1
108.80904	0.4
109.06528	1.2
109.10153	7.5
111.08070	1.2
117.03373	17.4
117.04206	0.9
117.07000	0.7
119.08570	13.0
121.06489	0.5
121.10130	7.9
123.08054	0.9
123.11705	2.3
125.09634	2.4
129.07036	0.9
130.07722	0.5
131.04968	0.4
131.08571	5.9
133.10121	10.3
134.03612	1.3
135.04395	1.7
135.08060	0.5
135.11688	3.9
137.09615	0.7
142.07744	0.5
143.08534	2.0
144.09279	0.6
145.02840	45.2
145.10117	9.6
146.03145	0.4
147.11676	5.1
149.05972	8.3
149.09613	0.6
149.13234	2.9
151.11182	1.1
155.08551	0.4
157.10104	1.7
159.11678	7.5
161.13261	5.2
163.03865	1.4
163.11169	0.8
163.14838	2.5
171.11694	2.1
173.11810	0.5
173.13249	5.3
175.14835	5.6
177.05458	100.0
177.16383	4.6
178.05830	1.0
179.10608	0.4
179.14272	0.4
183.11688	1.0
185.13242	1.1
186.05453	2.7
187.14813	12.2
189.16377	10.6
191.14290	1.8
191.16150	0.3
191.17914	2.1
193.15915	0.5
195.06522	8.3
199.14780	3.2
201.16388	12.8
203.14261	0.5
203.17937	5.1
205.15974	2.1
207.17369	0.6
211.14795	0.7
213.16338	5.1
215.17929	6.4
217.15898	2.3
217.19470	1.3
219.17426	5.8
221.15353	0.6
227.17838	0.9
231.17430	0.9
233.19067	1.8
235.16919	4.0
237.16502	0.5
239.17953	0.8
241.19487	1.1
243.21071	1.2
247.16907	2.2
249.18536	0.7
253.19597	0.5
255.21040	0.8
259.17084	0.5
261.18457	2.2
267.21054	1.5
269.22549	0.6
275.19992	1.9
281.22433	0.5
301.21445	0.5
349.28668	0.5
373.18774	0.8
389.32080	3.0
391.33096	0.5
395.29370	0.9
407.33099	11.6
409.34680	1.3
423.32504	1.0
425.33878	0.9
435.32733	3.0
453.27670	0.7
453.33640	8.5
498.81949	0.4
503.33365	1.0
561.33734	0.5
647.37653	1.3
665.35016	0.4
665.40851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.9
53.03933	0.4
55.01850	0.5
55.05510	1.8
57.07072	0.6
59.31801	0.3
65.03931	1.1
67.05505	2.3
67.24226	0.3
68.31824	0.3
68.99796	0.6
69.07062	2.9
71.04972	0.4
76.86047	0.3
79.05486	1.3
81.03397	0.4
81.07051	8.2
83.04984	0.4
83.08593	0.8
85.06528	0.9
91.05473	1.2
93.03372	0.3
93.07034	3.2
95.04967	0.6
95.08024	0.6
95.08600	7.5
97.02069	0.3
97.02863	0.4
97.06526	0.7
97.10175	1.7
99.08117	0.5
103.05466	0.4
105.07021	1.3
107.04940	0.6
107.08573	3.6
109.10136	3.0
111.00812	1.9
111.04431	1.4
111.08068	1.0
111.11706	0.8
115.33125	0.3
119.08552	1.0
120.57891	0.3
121.02834	0.9
121.10139	2.5
123.04444	1.6
123.11702	6.2
127.03902	2.0
133.02858	0.3
133.10136	1.0
133.45758	0.3
135.04404	0.5
135.11674	1.5
137.13252	2.0
139.03888	100.0
139.11172	1.2
140.04234	1.1
145.10094	0.4
147.04327	0.3
147.11743	0.7
149.05951	0.6
149.13246	5.0
151.03909	5.9
153.01810	0.6
153.05357	0.6
153.12715	0.5
155.14311	0.9
157.12230	1.8
160.62222	0.4
161.06030	0.4
161.13194	0.6
163.03894	8.2
163.14821	0.7
165.12827	0.4
169.12277	0.4
173.13306	0.4
175.14653	0.3
177.05450	0.6
177.16408	0.4
179.07050	2.0
181.04980	0.6
184.07405	0.4
187.13269	2.5
203.07114	0.3
203.12791	1.4
203.18007	0.4
205.04938	4.2
221.76953	0.3
229.05026	0.5
235.20541	0.4
237.18518	0.5
249.18517	0.8
261.03989	0.4
271.06015	0.6
272.01648	0.3
277.25143	0.6
287.23743	0.6
289.07043	18.6
290.07587	0.4
293.24625	2.1
301.07123	1.0
305.24728	10.6
307.08081	0.4
311.25891	1.1
323.25800	6.7
329.26862	0.5
341.26816	0.8
359.27814	1.1
399.43155	0.3
443.27652	0.5
473.28354	0.5
560.26007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43527	0.3
53.00292	0.9
53.03939	0.3
55.01845	0.4
55.05502	1.1
57.07063	0.4
65.03926	1.2
67.05496	2.7
68.99772	1.3
69.07066	3.2
73.63244	0.3
79.05477	1.0
81.03405	0.4
81.07047	7.6
83.04961	0.5
83.08602	1.2
85.06522	1.0
91.05448	1.0
93.07046	3.4
95.04928	0.7
95.08598	6.6
97.02876	0.3
97.06506	1.0
97.10131	1.9
98.21429	0.7
99.04426	0.3
99.08082	0.4
105.07018	1.0
107.04997	0.4
107.08574	4.6
109.06461	0.5
109.10138	2.6
111.00809	1.9
111.04435	1.5
111.08060	1.4
111.11700	0.9
119.08547	0.8
121.02837	1.4
121.10097	1.8
123.04424	2.3
123.11688	5.8
123.24788	0.4
127.03942	1.7
128.96132	0.4
133.02846	0.4
133.10141	0.5
135.04411	1.0
135.11674	1.3
137.13210	2.5
139.03886	100.0
139.11145	1.2
140.04230	1.4
141.59718	0.4
147.04413	0.5
147.11667	1.0
149.05939	0.6
149.13235	5.3
151.03897	6.1
153.05424	0.8
153.12732	0.5
155.14296	0.6
157.12245	1.4
158.38092	0.3
161.05992	0.4
163.03894	7.7
163.14801	0.8
169.12215	0.6
175.14886	0.4
177.05513	0.6
179.07010	2.0
187.13306	2.4
203.12779	1.4
205.04938	3.7
209.15324	0.4
229.04866	0.6
243.06493	0.4
247.05902	0.3
253.21634	0.6
271.05856	0.6
275.23770	0.6
277.25497	0.5
287.23663	0.9
289.07022	18.7
293.24677	2.6
301.07132	1.9
305.24701	10.9
307.08072	0.6
311.25903	0.5
323.25803	5.8
341.26901	0.6
359.27884	1.4
372.83734	0.3
419.13171	0.4
436.99313	0.4
443.27826	0.5
576.26544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.35
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99367	0.3
53.03938	0.6
55.05500	1.6
57.03432	1.4
61.02918	3.8
63.12622	0.3
64.13561	0.3
64.91693	0.4
67.05499	5.9
69.03423	2.5
69.07059	2.1
70.35874	1.1
71.04990	0.9
73.02911	3.6
79.05488	2.9
81.03405	2.3
81.07050	7.0
83.04977	0.7
83.08617	1.4
85.02888	4.8
86.10835	0.3
91.03954	2.9
91.05454	2.5
93.07034	4.5
95.04951	0.4
95.08581	2.2
97.02888	3.5
97.06544	0.7
97.10177	0.5
99.04451	1.0
101.02374	1.5
103.03963	0.4
105.07032	1.0
107.08573	2.8
109.02911	0.9
109.10159	1.2
111.08096	0.6
115.03887	0.6
117.07027	1.2
119.08632	0.4
121.06473	0.4
121.10151	1.3
121.82871	0.3
123.11707	0.5
127.03893	2.0
131.08557	0.5
133.10083	1.8
135.11688	1.3
145.05006	0.5
149.13243	1.8
150.26764	0.3
159.11682	0.9
162.61035	0.3
185.04295	0.4
195.13824	1.7
235.13087	1.4
243.08354	2.2
269.17520	1.0
275.20346	0.5
307.78049	0.4
333.16211	0.4
453.20926	15.5
665.35010	100.0
666.35370	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	665.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.45014	0.3
54.80966	0.4
55.01865	0.8
55.05503	1.3
57.03428	1.0
60.14646	0.3
61.02920	3.7
67.05500	5.6
69.03421	2.8
69.07061	1.5
71.04980	0.8
73.02908	3.0
79.05486	3.1
81.03430	1.8
81.07046	6.0
83.04992	0.9
83.08614	1.6
85.02898	4.1
89.30589	0.3
91.03950	1.8
91.05459	2.5
93.07041	4.7
95.04953	0.9
95.08600	1.6
97.02870	3.5
97.06532	1.4
98.21455	0.8
99.04452	1.0
101.02371	1.4
103.04002	0.4
105.07030	1.2
106.67367	0.3
107.08587	3.0
109.02848	0.6
109.06490	0.3
109.10146	1.0
111.08056	0.6
115.03931	0.3
115.88748	0.3
117.07009	0.8
119.08539	0.7
121.10162	1.1
127.03916	0.9
131.08560	0.9
133.10117	1.7
135.08049	0.5
135.11699	0.9
144.95856	0.3
148.83078	0.3
149.13254	2.1
159.11633	1.7
162.88963	0.3
177.12781	0.4
195.13849	1.1
235.13019	1.7
243.08475	1.4
253.13010	0.4
269.17368	1.1
278.71030	0.3
287.28683	0.3
291.15640	1.0
329.74002	0.3
349.23517	0.4
453.20901	14.1
453.27249	0.7
647.37006	0.4
665.35004	100.0
666.35260	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	665.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93473	0.2
53.03941	0.6
55.01869	0.7
55.05497	1.1
57.03431	1.7
61.02921	3.5
67.05495	6.2
67.08471	0.2
69.03436	2.2
69.06719	0.3
69.07054	2.0
71.04990	0.7
72.37812	0.2
73.02905	2.5
73.36256	0.3
79.05484	3.5
81.03415	2.4
81.07045	7.1
81.07492	0.4
83.04984	0.9
83.08636	1.2
84.63636	0.2
85.02895	3.7
85.06544	0.3
91.03948	2.1
91.05461	2.3
93.07034	5.7
95.04957	0.7
95.08588	2.0
97.02882	3.7
97.06528	1.2
98.20751	0.6
99.04446	0.6
99.08113	0.3
101.02402	1.5
103.03938	0.3
105.07007	1.3
107.04999	0.4
107.08575	2.6
109.02871	0.8
109.06508	0.4
109.10143	1.3
111.08073	0.5
115.03918	0.4
117.07014	1.2
119.08555	0.8
121.10137	1.6
127.03856	1.4
131.08588	1.2
133.10143	1.1
135.08028	0.4
135.11699	0.9
142.75607	0.3
145.02939	0.3
145.10101	0.3
147.11668	0.4
149.09654	0.2
149.13245	3.3
154.74937	0.2
158.82039	0.2
159.11694	1.3
173.04475	0.3
177.05470	0.5
177.12767	0.7
185.04218	0.6
195.13852	1.0
200.85033	0.2
229.14375	0.4
235.13004	1.8
243.08345	1.9
269.17566	0.9
275.20032	0.7
291.15717	0.8
349.23676	0.3
373.18726	0.3
453.20917	13.2
454.20999	0.3
647.37793	0.4
665.34991	100.0
666.35254	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	665.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05499	0.9
57.03419	1.1
61.02922	3.1
61.08622	0.3
62.75502	0.3
67.05498	4.5
69.03423	2.5
69.07059	1.1
71.71404	0.5
73.02908	2.3
79.05492	3.1
81.03413	1.8
81.07045	4.9
83.04958	0.6
83.08603	1.3
85.02890	3.5
91.03939	2.6
91.05470	2.2
91.32893	0.4
93.07030	3.5
95.04972	1.0
95.08622	2.0
97.02882	3.4
97.06519	0.9
99.04429	0.6
101.02348	1.7
105.07027	0.8
107.08576	2.3
109.02854	0.8
109.10168	0.7
111.08113	0.7
117.07013	1.0
119.08589	0.6
121.10132	1.1
127.03915	1.4
131.08554	1.0
133.10132	1.5
135.11667	1.1
148.68219	0.4
149.13251	1.9
159.11736	0.9
170.28729	0.4
185.04156	0.7
195.13869	1.4
203.05260	0.5
225.47374	0.4
235.12946	1.7
243.08347	2.1
246.26207	0.4
249.08925	0.4
269.17554	1.6
291.15805	0.5
297.16693	0.4
311.51059	0.3
371.05783	0.4
400.71249	0.4
453.20908	17.5
454.21011	0.5
608.32953	0.4
665.34991	100.0
666.35303	3.9
674.00171	0.4
675.20099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
70.97115	2.0
79.05473	0.9
81.07066	2.6
83.01334	2.3
91.05489	1.7
93.07024	1.2
95.04961	3.3
103.05461	56.0
109.06509	1.2
115.05453	3.6
127.07566	1.7
131.04916	100.0
132.05273	1.1
137.05724	0.8
181.07480	0.9
191.08594	1.2
193.10072	1.8
195.06505	6.9
205.04710	36.7
207.02768	1.3
213.07666	2.9
217.04796	1.7
219.06294	2.5
219.08138	2.0
235.05766	2.2
237.07317	9.0
293.07846	9.5
302.26459	0.8
319.09567	1.5
320.10117	1.1
321.10959	22.1
335.08844	20.8
351.13672	1.4
358.67648	0.9
367.11490	70.4
368.11975	1.6
376.11444	0.8
397.14133	2.6
407.16284	2.4
425.17194	2.4
439.15228	2.0
451.15118	40.3
452.15384	0.9
469.16290	7.1
469.22296	1.1
471.17938	4.1
483.17978	3.3
519.14038	1.9
551.16595	3.3
591.19812	19.5
633.20844	20.5
647.23352	1.1
665.23547	76.5
666.23730	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	664.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01017	0.8
55.05508	7.6
57.03429	13.7
57.06800	1.7
57.07071	27.3
59.04990	2.8
61.02906	4.9
65.03927	1.6
65.25998	0.8
67.05499	69.4
69.07047	6.3
69.54794	2.7
69.55211	5.7
71.04987	3.1
71.08624	19.2
73.02893	1.2
79.05498	2.5
81.07050	17.5
83.08608	10.2
85.02892	5.2
85.06533	1.5
85.10176	12.4
89.06028	1.1
89.85587	0.9
91.03948	2.9
91.05470	4.1
93.07027	2.9
95.08591	15.9
97.02891	2.9
97.10150	3.4
99.08044	0.9
99.14539	0.9
107.08602	1.5
109.10146	75.4
110.10429	0.9
111.08067	2.4
119.08555	4.2
123.11687	3.0
128.36272	0.9
137.09628	2.3
145.22888	0.9
155.10678	4.1
173.11732	22.5
173.28300	0.8
229.14333	100.0
229.42874	0.9
230.14684	2.5
239.23666	2.4
257.24799	1.0
281.17621	0.9
313.27338	79.5
314.27637	2.2
331.90817	0.9
346.21255	0.9
352.71802	0.9
446.35452	0.9
449.94208	1.0
467.37286	61.0
468.37476	3.2
618.65997	0.9
653.67053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.9
53.03936	0.9
55.01858	0.4
55.05495	1.5
59.04980	0.4
64.53076	0.4
65.03938	1.9
67.05499	2.2
68.99773	1.2
69.03425	0.7
69.07059	2.6
70.08256	1.9
70.71120	0.3
71.04971	0.7
79.05491	1.6
81.03390	0.8
81.07046	5.6
83.04964	1.1
83.08591	1.1
85.02888	0.5
86.09701	1.0
91.05463	1.2
93.03378	0.3
93.07033	3.5
95.04958	2.3
95.08593	4.1
97.02891	0.4
97.06506	0.6
97.10150	1.7
97.30421	0.4
98.20842	0.4
105.07031	2.2
107.04929	0.7
107.08581	2.9
109.06511	0.6
109.10139	3.4
111.00799	1.9
111.04421	1.6
111.08037	0.6
111.11716	0.4
119.08549	1.3
121.02835	1.6
121.10137	3.5
123.04437	1.8
123.11684	3.2
124.99976	0.5
125.09605	0.3
127.03929	1.6
131.08572	0.8
133.10170	1.6
135.04401	0.7
135.08092	0.4
135.11682	2.4
137.09596	0.6
137.13222	1.1
139.03888	100.0
139.11180	0.9
140.04240	1.4
140.97040	0.4
145.02875	0.8
145.10092	1.0
145.20349	0.3
147.04402	0.4
147.11641	2.2
149.05904	0.4
149.09564	0.4
149.13255	0.7
151.03897	5.9
151.11235	0.4
153.05438	0.4
153.12730	1.3
157.12154	0.6
159.11668	0.8
161.05943	0.6
161.13301	0.6
162.87863	0.3
163.03896	7.9
163.05173	0.6
163.11197	1.0
165.12791	0.6
173.13213	0.6
177.05481	1.1
177.12819	0.5
179.03368	0.5
179.06940	1.9
181.04918	0.5
181.12259	0.7
183.13870	0.5
184.07301	2.2
185.07686	0.4
187.13326	0.8
187.14853	0.7
193.12331	0.4
201.05489	0.4
205.04948	4.9
247.05934	0.4
257.22498	0.4
261.04105	0.4
271.06024	0.9
275.23666	1.3
285.22092	0.8
289.07053	15.1
291.23016	1.0
293.24704	0.8
301.06982	0.9
303.23138	6.9
321.24173	4.2
333.80826	0.4
339.25113	1.0
345.09384	1.3
368.18933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33037	0.6
55.05497	2.9
65.03916	0.9
67.05492	1.5
68.99789	0.7
69.03412	0.7
69.07035	1.9
70.37259	2.6
74.17854	0.6
79.05456	1.1
81.07053	5.3
83.04964	1.0
83.08591	1.1
85.02855	0.7
86.09711	1.7
91.05473	0.9
92.39807	0.8
93.07030	1.9
95.04964	1.5
95.08597	3.6
95.72848	0.6
97.10161	4.5
98.20764	0.9
105.07024	1.4
107.08571	1.7
109.10143	1.9
111.00787	1.2
111.04400	1.6
113.08481	0.6
119.08595	1.5
121.02843	0.9
121.10089	1.2
123.04416	2.1
123.11700	2.0
125.09637	1.2
127.03907	0.7
133.10124	1.2
135.11656	1.9
137.13225	1.0
139.03885	100.0
139.11160	1.5
140.04208	1.5
143.10628	2.0
147.04393	2.3
147.11652	1.2
151.03894	4.4
153.01752	0.8
157.12177	0.7
161.13176	0.7
163.03870	7.1
177.21959	0.7
179.07004	1.3
184.07275	3.8
189.11235	1.3
205.04944	3.8
246.11476	0.7
289.07031	14.4
301.07016	2.9
303.23309	3.3
309.24109	2.4
321.24194	7.1
339.24960	1.1
360.39056	0.6
455.49673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.0
55.01852	0.4
65.03938	1.1
68.99789	0.7
70.84496	0.3
70.84853	0.3
76.23258	0.1
79.83992	0.1
83.04974	0.2
91.05473	0.3
93.03391	0.5
95.04990	0.3
103.05442	0.2
107.04941	0.4
111.00772	0.3
111.04436	1.5
119.04932	0.3
121.02857	1.4
121.06507	0.2
122.03625	0.4
123.04421	2.1
125.02303	0.2
127.03867	0.3
131.04927	0.4
133.02762	0.1
135.04381	0.7
137.05968	6.0
138.06293	0.2
139.03886	100.0
140.04228	1.9
147.04390	0.6
149.05948	0.4
150.06721	0.4
151.03891	7.4
152.04272	0.2
153.01799	0.2
153.05435	0.2
159.04367	0.2
161.05977	1.9
162.06628	0.3
163.03893	6.4
164.04190	0.2
171.04439	0.4
175.03894	0.6
175.07538	0.4
177.05443	0.5
179.03429	0.2
179.06993	1.0
181.04955	0.5
187.03937	0.2
191.07043	0.2
197.05980	0.4
203.07014	3.9
205.04936	1.4
213.05299	0.2
215.07028	0.4
221.08183	0.2
229.08691	0.3
233.08118	0.6
239.07082	0.4
253.08635	0.3
257.08139	0.3
265.08640	0.3
267.06473	0.3
279.06592	0.2
283.09631	0.2
285.07693	0.2
285.11041	0.3
287.05930	0.3
287.09140	1.2
289.07037	7.9
290.07596	0.3
297.11230	0.3
299.09073	2.6
301.07104	0.2
307.09592	0.2
311.09091	1.5
313.06952	0.2
317.10214	0.6
319.07971	0.2
325.10712	0.2
327.12289	0.7
329.10162	0.5
339.12228	0.5
357.13205	0.5
412.02994	0.2
437.12701	0.2
449.12231	0.5
451.07095	0.2
467.13174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.3
61.41867	0.4
65.03942	1.9
67.05499	1.9
69.03426	0.8
71.04991	0.4
71.48293	0.7
71.48634	0.4
79.05466	1.3
81.03424	2.0
81.07060	2.2
83.04974	9.9
83.08605	0.7
85.02894	1.3
85.94566	0.4
91.05472	15.2
93.07031	1.6
95.04942	0.4
95.08583	0.7
97.02886	0.6
105.07022	1.0
107.08607	0.5
109.06516	0.6
109.10184	0.4
110.20199	0.4
111.04437	26.5
117.06969	0.5
119.04937	27.8
119.08601	1.0
120.05277	0.4
121.02834	2.5
121.10148	0.7
129.05431	0.6
129.06982	0.5
131.08553	0.8
133.06499	0.7
135.11676	0.4
143.08572	0.5
145.10133	0.4
147.04399	100.0
148.04697	0.9
153.05455	11.6
154.05734	0.4
165.05415	0.4
171.06544	0.8
193.12199	0.4
211.13271	0.9
212.37408	0.4
240.74849	0.4
257.08142	0.7
269.04352	0.4
269.17676	0.7
287.05511	0.9
299.05524	4.6
311.05481	1.3
313.03506	0.5
325.07104	1.4
337.07031	1.6
339.04886	0.7
351.08646	1.6
353.06631	3.5
355.08310	0.5
371.07602	0.6
377.12396	1.6
379.08109	5.6
397.09232	2.2
457.11523	2.0
465.31186	0.5
499.10593	1.2
501.31836	1.0
517.12921	1.1
561.13574	0.9
663.16571	1.2
663.36609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1701
Annotation	Kaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside
Peak:m/z	Relative Intensity
55.05498	2.6
65.03946	1.2
67.05469	0.7
69.03436	0.6
69.44202	6.7
73.18862	0.6
79.05434	0.6
81.07036	1.3
83.04977	10.3
83.73482	0.7
85.02892	1.3
88.09709	0.6
89.11012	0.5
91.05471	12.8
93.07059	0.9
95.08564	1.0
98.20749	1.2
111.03667	1.3
111.04433	25.8
119.04937	26.3
121.02845	2.4
131.08586	0.7
147.04398	100.0
148.04733	1.3
153.05455	12.9
171.06427	1.0
235.44653	0.6
244.65993	0.6
287.05481	1.1
287.43582	0.7
299.05469	5.0
311.05444	0.8
323.65131	0.8
325.07147	1.1
337.06967	2.5
351.08646	2.1
353.06491	1.8
377.12338	4.0
379.08054	4.7
397.09366	1.3
457.11594	1.5
663.16748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
54.71659	1.1
55.01853	2.4
55.05509	9.0
57.03421	2.3
60.41286	1.2
63.38729	1.1
67.05494	16.2
68.05817	1.1
69.03418	3.5
69.07059	3.6
71.71346	1.5
72.95853	1.1
74.34472	1.0
79.05492	9.9
81.03403	14.3
81.07050	14.7
82.07387	2.6
83.04971	46.8
83.08614	4.2
85.02895	4.5
91.05476	15.7
92.57162	1.1
92.87660	1.1
93.07043	11.5
94.07364	1.1
95.04955	3.8
95.08614	5.3
97.02892	3.8
97.06568	2.6
105.06993	6.3
107.04980	2.4
107.08585	6.2
109.02903	2.7
109.06461	1.4
109.10148	3.5
111.04427	100.0
111.08112	2.1
115.05453	1.2
117.07017	2.4
119.04925	11.1
119.08588	5.7
121.02883	2.4
121.10143	4.4
127.03919	4.2
129.05460	5.2
129.06984	2.4
131.04935	1.4
131.08562	3.2
133.10124	4.8
135.11656	1.5
137.02327	1.2
141.07018	1.3
145.06531	2.2
145.10106	2.2
147.04388	48.3
147.11694	2.2
149.09613	1.8
153.01877	8.2
153.05453	48.7
157.10109	1.9
171.06473	2.6
181.06560	3.4
193.01294	1.9
193.12256	2.7
195.13815	1.8
197.05998	1.5
203.38051	1.3
209.06117	1.6
211.13261	5.3
233.15370	2.4
235.16884	1.7
237.05542	2.0
248.68031	1.3
258.15988	1.2
265.05026	2.0
269.04449	6.8
269.17490	4.1
270.17737	2.3
271.18085	2.2
273.09561	1.7
287.05560	7.0
317.07925	1.4
345.07602	3.2
363.08624	10.4
373.07047	1.9
379.08060	1.8
391.08090	40.7
397.09195	2.8
433.09171	2.1
463.30530	2.4
464.30695	3.9
465.31088	4.1
501.32312	2.1
619.45074	1.3
645.34210	1.5
663.37750	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	662.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01868	1.1
55.05505	7.3
57.03431	8.7
61.02928	1.0
65.03931	1.3
67.01919	0.6
67.05497	26.7
69.03412	1.7
69.07050	7.0
71.01337	2.1
71.04974	3.2
72.14718	0.5
79.05486	26.3
81.03411	11.5
81.07048	18.0
83.04966	8.9
83.08610	5.6
85.02896	4.7
85.06539	2.4
86.09681	1.1
91.03916	0.6
91.05467	17.9
93.06436	1.4
93.07030	27.6
95.04960	16.5
95.08595	6.9
97.02895	1.5
97.06516	6.5
97.10163	4.6
98.21461	1.6
99.04441	1.3
99.08067	1.2
101.16605	0.5
105.04555	0.8
105.07018	10.7
107.04956	3.3
107.08585	18.0
108.81058	0.6
109.05851	0.7
109.06488	3.7
109.10156	3.8
111.04441	1.5
111.08104	1.4
113.06017	0.8
117.06984	3.0
119.08578	9.0
121.06502	2.3
121.10130	5.6
123.04507	0.5
123.08081	1.3
123.11710	1.2
124.08288	0.6
125.00021	0.7
125.09620	1.1
129.06963	3.7
131.08551	3.8
133.06468	1.5
133.10110	8.0
135.08052	4.5
135.11681	24.7
136.12108	0.7
137.09613	1.0
142.07755	1.1
145.10103	4.7
147.08051	0.9
147.11653	5.9
149.09608	2.9
151.11169	4.5
153.12752	0.8
157.10121	4.0
163.11180	7.0
165.12752	2.2
175.11130	4.2
181.12212	5.5
184.07379	3.9
193.12213	10.6
199.13239	1.1
211.13266	7.5
211.15111	0.6
237.14861	0.6
255.15900	33.4
256.16266	0.6
267.15891	10.7
269.17465	0.8
271.15442	0.6
285.16925	10.9
337.21585	0.7
373.23767	1.7
401.32968	0.6
421.25650	0.7
429.26517	0.8
447.27365	22.9
465.28442	100.0
466.28519	2.9
662.35840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24159	0.5
53.03923	2.8
55.01870	2.8
55.05504	17.4
57.03431	21.1
57.07050	1.5
59.04978	0.6
60.08138	0.8
61.02920	3.8
65.03914	2.1
67.05497	45.2
69.03423	3.6
69.06706	0.7
69.07059	11.7
71.01343	3.7
71.04988	5.4
71.07334	1.0
71.70766	0.7
73.02898	1.4
79.05486	39.9
81.03409	46.6
81.07049	30.9
83.04970	17.7
83.08612	17.4
85.02406	0.9
85.02899	17.0
85.06535	3.8
86.09704	5.8
91.03922	1.8
91.05471	30.7
93.07037	44.5
95.04962	23.0
95.08594	10.7
97.02900	3.9
97.06523	13.0
97.10159	12.9
99.04406	1.2
99.08064	2.1
105.06361	1.1
105.07015	15.3
107.04937	5.5
107.08581	30.2
109.06511	3.7
109.10147	5.4
111.04401	1.2
111.08069	8.6
113.05998	1.2
115.05423	0.7
117.07003	4.5
119.08562	16.8
121.06458	2.6
121.10125	9.0
123.08038	1.8
123.11710	1.2
124.99989	4.3
125.09630	3.2
127.07462	0.8
129.06985	7.4
130.07756	0.7
131.08540	7.7
133.06441	1.8
133.10121	10.3
135.08028	1.2
135.11678	44.3
137.09581	1.8
139.03899	1.4
142.07747	2.3
143.08615	1.0
145.10118	9.7
146.10487	0.7
147.04456	0.7
147.08015	2.6
147.10609	0.9
147.11681	9.2
149.09616	4.3
151.11082	1.2
153.12735	1.7
157.10127	9.8
163.11169	6.0
165.12767	2.4
175.11166	10.5
181.12215	9.6
184.07333	20.9
193.12230	27.4
199.13148	1.3
211.13272	38.9
249.14842	1.8
255.15898	95.3
256.16260	1.9
267.15866	19.6
285.16940	25.3
355.22665	0.9
421.25970	2.4
447.27386	42.7
448.27814	1.1
465.28439	100.0
466.28763	3.5
539.27771	0.6
592.22540	0.7
662.36243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.6
55.01868	0.7
55.05506	3.6
57.03408	0.3
65.03928	0.9
67.05502	1.7
68.99780	1.0
69.03419	0.7
69.07065	2.6
71.04992	0.4
71.71796	0.6
71.72164	0.3
75.79408	0.3
79.05480	0.9
81.07049	5.4
83.04967	0.8
83.08627	0.5
85.06541	1.5
91.05460	0.8
93.03374	0.4
93.07029	3.4
95.04984	1.3
95.08599	4.3
97.02869	0.7
97.06507	1.5
97.09584	0.5
97.10155	6.9
99.08074	0.4
101.05977	0.8
105.07017	1.3
107.04933	0.5
107.08582	4.1
109.06487	0.5
109.10130	3.5
111.00783	1.9
111.04414	1.8
111.05067	0.3
111.08062	2.4
119.08555	0.8
121.02837	1.1
121.10160	2.3
123.04424	1.7
123.08071	0.7
123.11711	1.6
125.09645	2.0
127.03889	2.0
131.04837	0.3
131.08517	0.4
133.06468	0.4
133.10104	1.2
135.04362	0.7
135.08035	0.3
135.11674	2.3
137.09634	0.6
137.13275	0.5
139.03885	100.0
139.11174	1.3
140.04242	1.0
141.09077	0.6
143.10643	2.9
145.02769	0.4
145.10112	0.5
147.11598	0.5
149.06017	0.3
149.09589	0.4
149.13228	1.5
151.03876	5.5
151.07521	0.3
151.11130	1.3
153.05496	0.6
153.12726	3.4
155.10643	0.8
157.10153	0.3
159.11713	0.7
161.05997	0.6
163.03888	10.1
163.11230	0.5
165.12746	0.8
167.07016	0.4
167.10670	0.8
167.14278	2.7
171.10106	0.3
171.13824	0.7
175.11218	0.5
177.05472	0.6
177.12762	0.5
179.06984	1.7
181.04910	0.8
181.12244	0.6
185.11739	1.1
189.11255	1.0
193.12245	0.3
197.06102	0.3
201.05566	0.5
201.16377	0.4
205.04930	4.8
213.11740	0.3
221.15439	0.6
237.18530	1.0
239.16455	0.4
243.06444	0.3
247.06064	0.4
269.17355	0.5
271.06186	0.8
275.20044	0.3
287.05609	0.3
289.07043	18.6
289.21573	0.5
290.07343	0.4
291.23166	0.4
301.06982	1.6
301.21625	2.0
307.22610	1.1
319.22659	7.8
337.23691	7.6
355.24689	1.5
424.36438	0.3
442.85553	0.3
473.10291	0.3
487.27045	1.7
505.27457	0.6
559.61749	0.3
607.28662	0.7
625.30109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48355	0.1
53.00299	0.6
53.03939	0.3
55.01870	0.3
55.05512	2.1
60.08155	0.6
65.03918	0.8
67.05502	1.3
67.81583	0.2
68.61403	0.2
68.99785	1.2
69.03413	0.5
69.07075	1.1
69.07373	0.2
69.54324	1.3
69.54726	0.4
71.04977	0.6
79.05480	1.0
81.03410	0.3
81.07055	2.3
81.91779	0.2
83.04970	0.6
83.08602	0.5
85.06519	0.2
86.09705	3.2
87.10010	0.3
91.05472	0.5
93.03394	0.6
93.07040	2.3
95.04947	0.7
95.08602	1.7
97.06503	0.4
97.10161	4.1
98.98461	0.3
105.07027	1.1
107.04936	0.4
107.08595	1.2
109.06535	0.2
109.10130	1.6
111.00804	1.3
111.04438	2.0
111.11749	0.3
117.06988	0.3
119.08561	0.9
119.82838	0.2
121.02841	1.1
121.06492	0.5
121.10129	2.4
123.04404	1.8
123.08053	0.3
123.11696	0.9
124.99990	1.8
125.09614	1.2
126.00323	0.3
127.03894	0.8
131.08583	0.3
133.10138	0.9
135.04431	0.5
135.11681	1.6
137.09604	0.2
137.13336	0.3
139.03888	100.0
139.11188	0.8
140.04260	1.0
143.10635	1.7
145.10101	0.8
147.11702	0.4
149.06024	0.5
149.09592	0.5
149.13261	0.7
151.03894	4.6
151.07486	0.3
153.05429	0.6
153.12712	0.3
157.12198	0.4
159.11688	0.5
161.05960	0.4
161.13249	0.3
163.03894	7.5
163.11191	0.7
163.14848	0.2
167.14386	0.2
168.74872	0.2
175.11166	0.4
175.14824	0.3
177.05507	0.3
177.12772	0.5
179.03458	0.4
179.07047	1.1
181.04913	0.4
181.12204	1.1
184.07329	9.4
185.07701	1.6
185.13254	0.3
189.05530	0.3
189.11221	0.2
193.12244	0.3
195.13805	0.3
197.05780	0.2
201.05420	0.3
205.04964	3.4
247.06007	0.3
255.20947	0.3
261.04010	0.3
271.06113	0.6
275.20065	0.7
283.20560	0.3
289.07034	12.1
289.21793	0.2
291.03198	0.2
291.23148	0.5
293.21097	2.0
301.07162	0.5
301.21677	1.8
307.08109	0.3
307.22672	0.3
308.96823	0.2
319.22528	1.8
324.44418	0.2
325.23880	0.2
337.23804	1.1
457.25934	0.4
551.10510	0.2
607.28870	0.2
625.30414	0.3
661.34454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.4
55.01862	0.6
55.05478	0.2
61.02925	0.2
65.03932	1.0
67.05485	0.4
68.99780	1.4
69.03420	0.3
69.99055	0.7
79.05473	0.4
81.03379	0.2
81.07050	0.2
83.04960	0.7
85.02891	0.3
86.09711	0.3
90.65515	0.2
91.05471	0.6
93.03402	0.5
93.07056	0.3
94.04159	0.3
95.04943	0.6
97.02883	0.3
103.05440	0.2
105.03388	0.2
105.07014	0.2
107.04930	0.3
107.08565	0.2
109.06523	0.2
111.00774	1.0
111.04432	3.4
115.05398	0.4
119.04932	0.4
121.02856	0.8
121.10142	0.2
122.03638	0.2
123.04413	1.8
127.03879	0.4
131.04900	0.4
133.06432	0.2
135.04416	0.2
137.05960	5.5
137.09563	0.2
139.03883	100.0
140.04161	0.7
145.02843	0.2
145.06464	0.2
146.03595	0.2
147.04387	0.5
147.37460	0.2
149.05977	0.6
151.03888	4.5
153.01846	0.2
158.03545	0.2
159.04396	0.4
161.05962	0.7
162.06772	0.2
163.03888	5.0
165.01826	0.4
165.05533	0.3
173.05965	0.6
175.03784	0.2
177.05478	0.7
177.06833	0.2
178.12651	0.2
179.03413	0.2
179.07066	0.7
179.08461	0.2
181.04900	0.2
183.02919	0.3
183.04350	0.2
184.07327	0.5
186.03040	0.4
187.03870	0.3
189.05429	0.3
189.06918	0.2
194.07291	0.3
201.05444	3.3
203.06923	0.2
205.04912	3.3
205.06578	0.6
206.07239	0.3
209.04440	1.0
213.05367	0.3
215.07166	0.2
221.04224	0.2
221.06122	0.3
222.06691	0.3
229.04994	0.5
231.06485	0.3
233.05922	0.6
234.06781	1.1
234.76384	0.2
235.07413	0.3
237.09152	0.6
245.06021	0.3
247.05975	0.5
249.09225	0.4
250.06284	0.4
250.78204	0.1
251.07056	0.3
261.05463	0.3
262.06207	1.0
263.07056	0.2
264.07721	0.2
265.08630	1.2
266.09372	0.2
271.05930	0.5
273.05554	0.2
277.08563	1.4
278.05695	0.2
279.06519	0.4
285.10483	0.1
287.05438	0.3
289.07037	10.0
290.05588	1.8
292.07306	0.6
293.07980	0.8
294.08722	0.3
297.11176	0.4
305.08041	2.9
307.09619	1.4
309.11163	0.2
310.08286	0.2
319.09680	0.3
322.08228	0.2
325.10678	4.7
333.05905	0.2
337.06561	0.3
337.10675	6.0
343.11731	0.7
355.07956	0.2
355.11710	0.9
390.02618	0.2
475.13953	0.2
493.14954	0.5
505.14584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.6
55.01844	1.5
55.05507	6.7
57.03431	6.2
57.07048	1.1
61.02922	3.1
61.35833	0.4
65.03915	1.1
67.05499	32.0
69.03396	0.9
69.07063	10.8
69.63995	3.7
71.04971	3.5
71.08601	0.6
71.71436	0.5
73.02883	0.9
79.05487	18.9
80.71493	0.4
81.03398	2.3
81.07050	46.7
82.07368	0.8
83.04980	3.3
83.08608	9.0
85.02891	3.1
85.06529	2.1
89.01907	0.4
90.88572	0.5
91.03909	1.4
91.05473	12.7
91.40211	0.4
93.07037	29.4
95.04960	3.0
95.08596	10.2
97.02872	2.3
97.06516	5.4
97.10129	1.3
98.20733	0.9
99.04416	0.7
99.08049	0.5
105.07019	3.9
107.04936	0.7
107.08580	18.3
109.06493	1.4
109.10155	2.2
111.08060	3.2
117.07008	4.5
119.08514	0.8
121.06474	1.4
121.09419	0.6
121.10148	6.8
123.11687	3.9
129.07014	0.5
131.08557	5.5
133.10114	10.5
135.08011	1.1
135.11674	6.6
147.11690	0.6
149.13239	11.4
151.11206	0.9
159.11682	5.5
167.14194	0.6
174.75839	0.5
177.12764	2.2
195.13786	11.9
213.14822	2.6
251.16402	2.7
269.17456	60.4
270.17831	1.4
389.27081	0.5
394.63818	0.6
445.29514	1.8
463.30521	100.0
464.30829	3.8
607.34613	1.3
607.48981	0.4
631.38989	0.4
660.36652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
53.38832	0.5
55.01862	0.7
55.05505	5.5
57.03436	6.1
57.07069	1.1
61.02917	3.2
62.03282	0.4
65.03911	0.5
67.05499	25.4
67.71169	0.6
69.03409	1.1
69.07065	9.1
69.54971	4.4
71.01350	0.7
71.04984	1.9
73.02910	1.2
79.05486	13.9
81.03411	1.7
81.07052	33.3
82.07371	0.5
83.04979	2.6
83.08617	6.8
85.02895	3.7
85.06559	2.4
91.03950	3.1
91.05473	7.6
93.07040	22.1
93.23912	0.5
94.07387	0.5
95.04973	2.2
95.08598	9.0
97.02899	3.3
97.06525	5.1
97.10141	1.0
99.04459	0.5
99.08080	1.6
105.07026	2.8
107.08579	15.1
109.06526	1.4
109.10152	1.2
111.08080	3.3
117.06976	3.8
119.08600	1.1
119.74664	0.6
121.06499	0.7
121.10129	7.7
123.08078	0.6
123.11710	1.7
127.03889	1.2
131.08545	4.6
133.10117	5.1
135.07980	0.6
135.11659	3.8
139.11172	0.7
149.13243	13.2
159.11673	5.9
176.06992	0.5
177.12747	2.5
195.13794	7.9
213.14879	1.5
251.16548	1.3
269.17462	47.5
270.17819	0.7
336.26337	1.0
463.30524	100.0
464.30984	4.1
607.34607	0.7
660.36609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.2
54.55880	0.4
55.01855	0.8
55.05510	5.4
57.03432	7.5
57.07041	1.5
61.02891	1.7
65.03918	0.7
67.05499	31.5
68.05773	0.5
69.07063	11.0
69.97229	2.6
71.01312	0.5
71.04990	2.9
73.02902	0.9
79.05485	18.1
81.03406	0.9
81.07050	46.5
83.04529	0.5
83.04969	3.1
83.08123	0.5
83.08611	9.2
85.02872	1.7
85.06508	2.0
91.03934	0.6
91.05473	8.0
93.07037	33.0
94.07348	0.6
95.04961	3.5
95.08598	8.9
97.02866	0.9
97.06518	6.6
97.10139	1.1
99.08054	2.0
105.07030	3.6
107.08582	17.3
109.06484	1.6
109.10136	2.3
111.08073	4.8
113.09595	0.6
117.07002	5.0
119.08548	1.0
121.06498	0.9
121.10132	12.0
123.07989	0.4
123.11673	1.4
126.01109	0.4
127.07473	0.5
131.08566	5.1
133.10143	4.4
135.08034	0.7
135.11684	4.5
139.11139	0.6
147.11662	0.9
149.09602	0.5
149.13242	22.1
151.11121	0.5
159.11685	8.4
160.81625	0.5
177.12770	3.8
195.13809	7.9
213.14948	1.0
217.94888	0.4
237.22711	0.4
269.17459	58.9
270.17801	1.5
445.29074	0.5
463.30527	100.0
464.30759	5.0
480.24170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01864	1.2
55.91279	1.0
63.02408	1.1
65.47920	1.0
66.04604	1.0
67.01857	5.5
67.05502	4.9
69.03445	1.9
69.07072	2.3
71.72707	1.5
79.05493	5.7
81.07045	22.0
83.01340	3.0
83.05000	1.6
86.09701	1.9
90.24482	0.9
91.05487	5.4
93.07040	4.3
93.57176	1.0
95.04981	2.9
95.08624	2.2
97.02874	1.0
97.06554	1.8
103.05459	38.4
105.07019	3.2
107.04966	1.3
107.08564	2.2
109.06507	2.9
109.10145	2.3
111.04446	2.8
119.04872	1.1
121.06574	2.2
124.99939	1.0
125.02300	2.1
127.07559	1.3
129.06996	1.2
131.04919	100.0
133.10104	1.7
137.05977	3.2
139.03931	1.4
141.07047	1.4
143.03377	1.1
149.06023	1.6
153.05438	2.0
165.05528	2.0
177.05453	3.0
183.06519	49.9
184.07245	6.2
185.04463	11.1
186.04724	1.2
195.06525	10.0
197.06209	1.6
197.08073	37.2
213.07585	22.6
243.06346	1.8
257.08115	2.3
269.17416	2.4
271.09491	5.6
299.12762	22.3
300.13196	1.4
313.10663	3.0
344.79434	1.1
345.13361	2.9
463.30054	2.0
496.89334	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01849	1.5
55.05289	0.5
55.05509	5.8
57.03436	3.3
57.07063	0.9
61.02902	2.4
67.05498	23.9
69.06706	0.6
69.07059	8.8
70.25053	1.5
71.04974	1.9
73.64357	0.6
79.05028	0.8
79.05483	14.1
81.03391	1.3
81.07047	34.0
83.04976	2.4
83.08610	7.3
85.02888	1.8
85.06531	0.9
91.05466	10.7
93.07034	21.6
95.04949	2.6
95.08595	8.4
97.02882	1.3
97.06519	4.2
97.10156	1.1
97.41252	0.6
98.21530	0.6
99.08067	0.9
102.64881	0.5
105.07011	4.6
107.08582	12.5
109.06499	0.8
109.10153	1.8
111.08071	2.7
117.07001	4.9
119.08596	2.8
121.06469	1.6
121.10133	5.7
123.11707	1.8
129.06969	1.7
131.08549	6.3
133.10114	6.9
135.08087	1.2
135.11690	5.0
143.08525	1.4
145.10091	1.6
147.11700	1.0
149.13237	10.6
155.08519	1.0
157.10081	1.1
159.11678	5.7
169.10057	0.7
177.12741	2.6
181.10071	0.8
195.12064	1.1
195.13770	6.7
197.13190	0.6
197.78204	0.7
213.14827	1.0
251.16388	1.8
251.36771	0.6
269.17450	26.2
322.23196	0.6
335.23679	0.7
353.24905	1.4
371.25742	1.5
389.26767	1.2
413.21860	0.7
427.28503	1.7
435.04004	0.6
445.29437	13.4
453.57666	0.6
463.30508	100.0
464.30670	4.0
481.31857	1.3
507.16779	0.6
607.34668	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.9
57.03426	14.8
57.07074	39.0
67.05502	65.9
69.07062	26.6
71.04983	5.7
71.08624	27.6
71.72504	4.7
77.71429	3.8
79.05488	24.7
81.07046	39.7
83.08609	20.3
85.07654	4.3
85.10154	10.2
89.06023	10.9
91.05460	19.3
93.07034	23.9
95.04978	4.7
95.08612	31.8
97.06499	5.4
97.10156	10.7
98.98483	6.7
105.07016	12.2
107.04940	3.9
107.08578	19.1
109.10155	45.3
119.08577	13.6
121.10166	4.6
123.11679	6.1
125.09647	6.7
131.08568	5.7
133.08604	10.0
133.10114	9.3
135.11661	4.3
145.10057	5.5
149.09610	6.8
149.13251	6.5
159.11806	4.2
173.11688	11.0
177.12601	4.3
189.11183	4.6
196.18410	4.0
227.12627	17.4
229.14326	68.4
241.04663	3.4
269.17508	19.4
275.20084	24.1
293.21088	6.5
297.15201	3.7
313.27353	100.0
349.23700	16.0
367.24619	11.6
467.37189	43.0
507.40530	23.1
587.46576	17.2
605.47601	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	658.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18591	0.8
51.93356	0.8
53.03939	2.1
54.00303	0.9
55.01858	1.6
55.05505	7.8
55.38588	0.9
57.03428	11.5
57.07058	2.5
61.02921	1.9
64.64616	0.9
65.03930	2.0
67.05498	31.5
69.03404	1.8
69.07060	10.7
69.58826	1.2
70.06583	2.8
70.51979	3.1
71.04972	2.4
71.08608	1.5
73.02927	1.3
79.05042	1.1
79.05488	19.3
81.03410	47.5
81.07047	39.9
83.04964	6.2
83.08616	11.8
85.02880	3.3
85.06518	2.3
88.07610	2.7
91.05473	15.7
93.07034	30.0
93.90440	0.9
95.04960	16.2
95.08598	9.9
97.02865	3.1
97.06529	5.8
97.10178	2.3
99.08074	1.5
102.09151	2.7
103.05423	1.5
105.07021	9.0
107.04933	3.2
107.08580	16.3
109.06491	2.5
109.10117	2.4
111.04456	1.2
111.08064	6.0
115.05402	1.3
117.07018	4.8
119.08563	6.7
121.06458	2.0
121.10128	11.5
127.07520	0.9
129.07007	5.8
131.04907	3.4
131.08560	7.7
133.06490	2.0
133.10106	5.0
135.08014	1.3
135.11676	3.2
145.10101	1.3
146.70731	0.8
147.08090	1.7
147.11687	4.0
149.02322	5.9
149.09579	3.1
149.13243	14.5
149.14343	1.5
157.10114	6.1
159.11647	7.2
163.11197	1.8
165.12732	1.2
171.11656	1.1
175.11209	4.7
177.12753	3.2
185.04451	7.6
193.04948	5.7
193.12196	12.1
195.13824	5.0
237.07524	3.0
249.14790	1.6
256.26282	6.3
267.15887	53.4
269.17450	55.4
270.17804	2.0
271.09677	3.7
291.19543	1.2
299.25668	1.8
312.53076	0.9
313.10474	1.4
341.06656	1.4
385.09183	1.7
429.11737	3.5
435.27271	3.2
443.28314	1.2
461.28961	100.0
462.29376	4.2
479.29480	1.6
503.29599	3.0
503.80267	1.1
645.79785	1.1
658.35834	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	658.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
54.94007	1.4
55.01856	1.4
55.05511	11.5
56.38079	1.6
57.03428	13.6
57.07054	1.6
61.02902	3.1
65.03916	2.6
65.04518	1.3
67.05499	36.2
69.03411	3.1
69.07064	11.8
69.69720	1.4
70.06573	3.9
70.99085	1.4
71.04971	4.4
71.08620	1.7
71.72655	2.0
79.05093	1.9
79.05495	22.5
80.54652	1.4
81.03412	53.3
81.07050	44.3
81.88561	1.6
82.07394	1.6
83.04958	5.1
83.08620	15.6
85.02886	4.9
85.06525	2.1
88.07600	7.1
91.03942	2.1
91.05482	16.5
93.07035	31.9
95.04953	17.7
95.08602	12.6
97.02888	2.9
97.06500	5.8
97.10146	4.2
99.08051	2.9
102.09162	3.2
105.07018	10.8
107.04951	3.9
107.08584	19.6
109.06470	4.3
109.10171	3.5
109.58938	1.4
111.08050	6.5
113.06035	1.7
117.07003	5.9
119.08588	7.1
121.06520	2.2
121.10136	10.6
125.09605	1.5
125.20602	1.3
127.95686	1.4
129.06990	6.0
131.04939	4.7
131.08516	8.8
133.10112	8.8
133.11664	1.3
135.08040	1.6
135.11710	3.8
141.13995	1.3
145.10135	1.6
147.08002	3.3
147.11655	6.6
149.02336	13.0
149.09596	3.2
149.13243	14.3
157.10110	6.6
159.11658	6.3
163.11098	1.9
165.12660	1.7
175.11220	7.2
177.12743	2.8
185.04407	6.0
193.04936	11.7
193.12212	11.8
195.13811	6.1
219.96945	1.7
237.07552	5.1
249.14793	2.3
256.26266	15.0
267.15887	62.0
269.17459	58.9
270.17807	2.2
271.09464	1.8
275.20328	2.1
276.20447	1.4
299.25858	2.9
326.66711	1.4
341.06711	2.2
359.07248	2.0
385.09045	5.6
429.11682	7.0
429.46307	1.7
435.27411	4.0
461.28964	100.0
462.29190	3.9
479.28955	1.6
503.29755	3.1
570.32733	1.5
658.35730	26.8
659.36481	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	657.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01870	24.8
55.05506	45.6
57.03424	7.5
57.26263	2.8
57.47189	2.7
60.05627	4.1
65.03929	5.4
65.85142	2.6
67.05501	73.3
69.03416	10.9
69.07064	49.7
70.28629	7.1
70.29036	6.5
78.64974	2.7
79.05489	58.8
81.03406	12.1
81.07051	100.0
83.04955	10.7
83.08608	20.8
85.06518	5.4
91.04928	6.0
91.05472	61.9
93.07046	53.1
95.04971	27.8
95.08595	39.0
97.02888	9.7
97.06506	29.0
97.10163	23.5
103.05448	3.1
105.07028	73.1
107.04968	21.3
107.08583	40.2
109.06500	21.8
109.10159	26.7
111.08096	8.5
113.05951	4.2
115.05453	3.9
116.06226	3.8
117.07014	25.3
119.04906	3.1
119.08580	46.6
121.06494	8.5
121.10148	17.5
123.08060	14.6
123.11705	8.0
125.09611	17.2
128.06297	3.6
129.06979	8.5
131.08562	27.8
133.06482	4.3
133.10118	38.5
135.08043	13.5
135.11679	11.8
137.09666	4.3
141.06944	3.4
143.08545	8.1
145.06509	3.3
145.10130	28.7
147.08051	9.3
147.11668	18.2
149.09622	18.9
149.13350	3.5
151.11203	7.1
155.08504	4.3
157.10138	13.9
159.11726	21.0
161.09637	7.1
161.13286	5.5
163.11150	10.6
169.10210	5.4
171.11676	8.6
173.13242	7.9
175.11195	8.9
177.12675	5.2
182.75635	2.7
183.11661	6.0
185.13202	6.7
187.11195	4.7
189.11188	10.1
193.12288	3.8
202.40778	2.9
219.17284	3.6
223.13272	17.4
227.12810	11.1
245.19026	4.7
247.20683	5.4
249.14742	4.2
253.14438	4.2
257.18976	9.0
267.15927	3.5
273.18515	27.6
275.20010	63.1
291.19513	95.7
293.21207	6.2
331.23010	3.7
347.22372	4.3
349.23679	43.2
365.23264	23.3
367.87430	3.4
409.27792	3.2
441.99814	3.2
551.80304	3.4
559.36115	8.5
639.42615	44.2
657.43579	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	657.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01863	2.6
55.05503	23.9
57.03438	10.9
57.07068	3.6
61.22736	1.6
65.03934	2.8
67.05502	80.7
67.05861	4.0
69.03416	14.9
69.07064	20.1
70.75712	4.6
71.04996	24.8
73.02912	3.3
79.05492	37.7
81.03415	33.4
81.07053	100.0
83.01351	2.0
83.04976	21.6
83.08620	16.3
85.02895	6.4
85.06551	10.6
91.04940	2.9
91.05476	33.5
93.07044	45.0
93.07621	4.2
95.04983	11.2
95.08604	21.5
97.02895	8.5
97.06511	15.7
97.10178	5.8
99.04456	4.9
99.08076	2.1
105.07024	18.5
107.04940	5.2
107.08585	30.3
109.02869	5.5
109.06502	5.4
109.10157	18.0
111.04440	4.8
111.08076	7.3
114.21897	2.0
117.07005	9.5
119.08566	8.5
121.10139	19.1
123.11684	13.2
123.25508	1.9
125.09615	5.4
127.03922	7.4
129.05447	11.9
131.08575	14.6
133.10138	14.0
134.99103	2.2
135.08096	3.0
135.11681	8.1
143.06946	2.0
147.11665	5.9
149.13261	23.1
151.11198	7.0
157.10132	4.4
159.11639	10.9
161.13225	2.1
165.12724	2.7
173.04431	8.9
173.11780	4.0
175.11150	2.3
177.12744	6.1
183.13716	2.3
187.13257	9.4
193.12233	2.6
195.13789	9.9
201.14883	2.8
211.13274	2.6
213.14764	2.7
225.14909	3.7
229.14386	11.8
267.15970	5.3
269.17459	28.9
275.19971	3.4
300.85406	2.0
339.17996	2.7
413.21835	4.7
423.27356	3.9
437.28995	37.2
445.24460	6.1
451.30423	6.1
461.28595	2.8
463.30585	56.1
495.33533	9.8
497.02133	1.9
607.34662	5.7
639.37164	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	657.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01884	3.0
55.05507	19.3
57.03434	9.6
59.05003	1.9
65.03934	4.1
67.05499	74.0
69.03427	13.5
69.07059	19.6
71.01363	2.0
71.04988	22.8
71.70922	1.9
73.02891	2.1
79.05483	36.0
81.03410	29.7
81.07047	100.0
83.04967	24.6
83.08606	14.4
85.02900	6.3
85.06526	8.0
91.05473	30.8
93.07034	42.9
93.07610	3.1
95.04946	8.9
95.08600	22.2
97.02892	10.6
97.06524	10.0
97.10200	1.8
99.04454	4.1
105.07017	14.7
107.04954	4.5
107.08582	24.2
109.02882	6.3
109.06508	5.4
109.10140	14.4
111.04445	6.2
111.08097	5.5
117.07016	11.2
119.08572	5.0
121.10116	15.6
123.11705	9.4
125.09566	2.2
127.03861	7.8
129.05457	15.1
129.06999	2.5
131.08578	11.1
133.10133	17.5
135.11665	7.9
145.10159	2.6
147.11670	7.0
149.09630	2.8
149.13229	20.6
151.11227	4.7
159.11668	13.3
161.13231	1.4
165.12761	3.2
168.29131	2.0
171.11615	1.8
173.04457	6.1
173.11696	2.6
177.12730	6.7
183.13782	2.4
187.13298	7.2
193.12273	2.1
195.13785	9.4
197.15193	1.7
201.14897	4.2
211.13261	1.5
213.14922	2.0
223.88071	1.8
225.15063	2.0
229.14330	5.8
243.15984	2.0
257.17511	2.8
267.15833	3.9
269.17426	22.9
299.18289	2.0
301.20117	1.8
325.74023	1.8
369.64948	1.9
413.21613	4.2
423.27536	2.6
435.30594	1.7
437.28964	41.2
445.24289	4.6
451.30402	5.1
463.30551	62.0
464.31094	2.5
495.33209	13.0
561.80585	1.9
584.62781	1.7
607.34680	7.6
639.36975	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	657.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70632	0.3
55.46341	0.3
63.02383	0.4
67.05511	0.3
68.99795	0.4
69.03428	0.9
71.21996	0.5
79.05524	0.3
81.03409	0.4
85.02889	1.5
86.09705	0.3
89.03906	5.9
91.05488	0.7
97.02899	1.9
99.04483	0.4
103.05464	0.6
105.07047	0.5
107.04936	0.5
107.95998	0.3
109.02881	0.9
111.00800	0.7
117.03374	19.5
119.04934	0.4
123.04417	0.3
127.03903	0.8
128.06186	0.3
131.04962	0.5
134.03601	1.4
135.04437	1.7
137.02347	0.4
137.05983	1.2
139.03915	1.5
143.04964	0.4
144.05724	0.4
145.02841	56.8
146.03163	0.3
147.04413	0.4
149.05965	6.9
151.03874	1.9
153.01831	2.3
155.04903	0.5
157.06453	0.4
161.05980	0.8
162.03168	0.4
163.03894	1.0
165.01793	0.6
169.06445	0.4
171.04439	0.5
171.08032	0.3
173.05898	0.4
175.03952	0.6
175.07529	0.5
177.05461	100.0
178.05817	1.4
179.03412	0.6
181.06325	0.3
182.90636	0.3
183.02942	0.4
186.05476	2.0
187.07542	0.6
188.04819	0.3
189.05482	1.2
195.06499	1.6
199.07565	0.6
201.05400	0.5
203.07016	1.5
205.04947	2.0
207.06502	0.5
215.07021	1.2
217.04968	1.1
217.08566	0.7
225.05579	0.4
231.06500	1.6
233.08072	2.0
243.06525	0.5
245.04459	1.2
245.07997	0.8
255.06528	0.5
257.08051	0.6
259.09732	1.8
261.07593	7.3
273.03879	1.2
273.07288	1.3
285.07538	0.9
291.08530	1.4
303.08572	2.8
319.04483	22.3
320.04303	0.4
321.09677	10.4
322.09854	0.3
339.10742	5.1
361.05499	0.5
456.06998	0.3
597.74377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01868	0.9
55.05498	4.6
57.03432	4.5
57.07074	38.0
61.02654	0.9
61.02921	8.7
66.07102	0.8
67.04752	0.7
67.05500	12.9
69.03408	1.7
69.07066	7.3
71.08625	32.8
71.72387	0.8
71.72801	1.4
73.02911	2.8
73.43938	0.6
75.04442	1.4
79.05473	2.3
81.03387	1.6
81.06613	1.1
81.07055	16.1
81.45504	0.6
83.08611	10.6
85.02907	8.3
85.06557	0.9
85.09688	1.2
85.10177	17.8
85.10686	1.3
88.31075	0.7
89.06016	1.4
91.03944	7.7
91.05482	1.8
93.07052	1.5
95.06567	0.7
95.08601	25.2
95.26349	0.8
97.02886	5.3
97.10156	5.7
99.11716	1.2
103.05429	1.1
105.07012	1.3
107.08578	0.9
109.06484	1.1
109.10153	10.8
111.11700	1.6
119.08504	0.9
123.11714	5.4
127.03895	3.6
133.82544	0.7
137.13254	1.9
138.41641	0.7
145.04919	3.8
145.10118	0.8
151.14828	1.5
154.98740	0.8
163.06100	4.5
169.08563	1.1
221.22676	1.3
224.56381	0.8
239.23682	26.1
257.24786	3.6
298.27386	2.0
313.27341	100.0
314.27753	1.3
322.58893	0.7
331.28418	14.6
466.24753	0.8
475.32709	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	656.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.2
54.98449	1.0
55.01854	3.2
55.05509	28.7
57.03418	4.4
57.07086	1.2
58.14847	0.9
59.04986	1.9
61.02925	2.5
67.05499	24.4
69.03432	7.0
69.06760	0.8
69.07057	7.3
70.19427	4.7
71.04979	3.9
79.05031	1.5
79.05486	23.7
81.03408	9.7
81.07049	24.4
83.04971	12.9
83.08617	17.4
84.05289	1.8
85.02905	7.2
85.06538	1.5
91.04926	1.9
91.05470	25.8
93.07029	13.8
94.07409	1.3
95.04969	6.3
95.08602	9.0
97.02873	3.6
97.06484	2.5
97.10165	26.2
98.20816	1.5
99.04483	1.2
99.08067	1.0
103.05463	8.8
105.07013	18.0
107.04952	6.3
107.08582	12.6
109.02849	1.8
109.06498	2.3
109.10139	4.3
111.04433	7.5
111.08056	2.6
112.04710	1.6
115.05442	5.4
116.06165	1.2
117.06171	1.7
117.07006	32.9
119.04947	2.5
119.08566	10.8
120.05682	1.6
121.06493	2.8
121.10141	3.4
123.04427	2.9
123.08023	1.7
125.08717	1.4
125.09623	23.9
127.03854	1.2
128.06175	3.0
129.05490	1.8
129.07002	13.3
131.04919	2.0
131.08560	21.6
132.08888	1.1
133.06488	5.0
133.10156	4.7
135.08020	5.5
135.11671	1.2
141.06943	5.1
142.07813	1.0
143.08574	7.3
145.06479	6.9
145.10135	6.8
147.04414	2.3
147.08020	2.6
147.11674	2.8
149.09602	2.4
149.13173	1.1
153.09056	1.7
155.08562	9.3
157.06488	3.0
157.10097	2.8
159.08029	3.2
159.11707	2.4
161.09607	1.3
166.07811	1.4
167.08560	3.8
169.10098	8.0
171.06490	3.2
171.08034	3.0
171.10283	1.5
171.11630	5.0
173.04449	1.7
173.09589	1.2
173.13222	2.5
175.11235	1.2
177.12794	1.3
181.10126	1.7
183.08142	1.2
183.11696	2.5
185.09583	1.8
185.13231	3.0
187.14815	8.6
189.11206	11.2
189.12683	1.8
193.10133	1.3
195.11703	2.7
197.13199	8.8
199.11108	2.5
205.12180	1.4
207.11870	1.4
209.13293	1.7
213.12720	3.5
215.14291	34.2
221.13191	2.2
227.12730	20.2
233.15392	1.8
237.12683	2.0
239.14343	1.4
241.12230	2.0
245.04504	1.7
245.13803	1.4
253.15274	1.2
255.13718	2.2
257.15341	1.5
271.16959	2.8
301.03476	2.2
302.03848	3.6
303.04926	2.7
304.05389	2.3
321.22177	1.1
339.23260	2.4
349.21625	4.0
357.24130	1.2
367.22626	11.8
385.23709	8.3
403.24875	3.7
421.09055	1.4
422.09225	1.3
423.25568	1.5
441.26346	51.8
450.08932	2.8
459.27408	100.0
460.27774	2.0
462.28964	2.0
467.09747	1.7
468.09991	2.6
477.28442	12.9
494.32187	1.1
560.12860	2.2
596.14746	2.5
656.37482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.3
55.01856	6.3
55.05504	21.9
57.03421	8.9
57.07063	2.6
59.04980	2.2
63.39343	1.8
65.03922	4.0
66.30678	1.7
67.05150	3.6
67.05499	65.9
69.03426	17.1
69.07067	12.7
69.58534	1.8
70.34411	8.7
71.04626	3.3
71.04987	51.9
79.05031	2.7
79.05489	39.5
81.03410	91.6
81.07050	100.0
83.04967	22.7
83.08617	19.0
85.02892	17.8
85.06520	8.0
91.04932	3.6
91.05470	54.0
93.07034	35.8
95.04958	27.5
95.08597	20.3
97.02885	16.8
97.06535	13.1
97.10155	6.2
99.04449	4.3
99.08096	3.1
103.03929	1.9
105.07016	36.7
107.04916	11.2
107.08585	20.3
109.02862	14.9
109.06490	7.1
109.10138	12.0
111.04439	12.7
111.08049	7.3
113.06010	3.5
115.05404	3.5
117.06983	8.5
119.08556	19.4
119.58296	2.0
121.06488	4.7
121.10130	10.1
121.97438	2.1
123.04375	3.6
123.08102	2.5
123.11695	14.9
125.05969	2.4
125.09631	3.1
127.03947	9.3
129.06998	11.3
131.08545	16.7
133.06499	2.8
133.10132	26.6
135.11646	6.5
137.09625	2.6
141.07037	2.0
142.07848	2.8
143.08554	2.0
145.10149	4.4
147.08005	3.7
147.11662	24.9
149.09616	5.8
149.13252	8.5
151.11171	9.8
157.10109	11.8
157.92453	1.9
159.11665	8.6
163.11209	3.7
165.12740	9.0
169.12225	2.5
171.04347	2.1
171.06500	2.6
173.04466	12.5
175.11171	11.4
177.12732	6.6
183.13780	7.4
187.13260	18.4
191.10750	2.5
193.10567	3.2
193.12231	38.0
195.13800	6.3
201.14868	6.3
211.13303	50.5
225.14816	4.5
227.12718	2.4
229.14352	4.2
235.13216	2.4
249.14876	2.4
257.17426	4.3
267.15805	16.7
269.17505	4.5
273.14621	2.6
285.16956	8.2
299.18494	3.9
301.14233	2.8
301.19998	4.9
321.16785	2.8
337.16330	2.6
339.17926	5.3
343.22659	2.1
393.19092	3.5
395.20547	4.3
411.20529	2.1
417.26111	2.6
427.23193	3.1
435.27551	12.3
451.31183	2.2
453.28516	13.8
461.28940	13.2
467.30011	14.7
477.28156	2.4
479.29825	4.6
507.24121	2.1
509.30664	2.1
511.32761	13.3
569.30981	3.9
587.31635	3.5
605.32916	4.0
623.34155	12.3
637.35437	5.9
655.36945	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.6
53.03944	9.7
55.01875	15.3
55.05507	32.4
57.03436	18.0
57.07065	9.0
59.05001	1.8
61.02900	1.7
65.03943	3.4
67.05500	55.0
69.03427	31.2
69.07065	15.0
70.56285	2.5
70.56676	5.3
71.01339	3.5
71.04992	7.8
73.02896	5.4
79.05489	43.3
81.03413	100.0
81.07053	43.9
82.04225	1.7
83.04967	29.1
83.08611	20.4
83.41298	1.4
85.02892	24.5
85.06519	3.8
86.09706	1.9
87.04456	1.7
91.05474	44.5
91.06054	2.2
93.07042	29.2
95.04967	32.6
95.08605	18.8
97.02888	34.3
97.06523	8.7
97.10158	9.1
99.04455	6.5
99.08064	1.4
101.02388	1.8
103.05465	1.8
105.06356	1.9
105.07025	29.2
107.04958	18.4
107.08585	15.9
109.02870	13.1
109.06535	7.1
109.10144	15.7
111.04414	15.4
111.08084	10.2
113.06036	1.9
115.03914	5.6
115.05431	2.7
117.06990	10.5
119.04948	4.6
119.08569	23.7
119.90214	1.3
121.06499	4.6
121.10126	15.3
123.04429	5.3
123.08069	4.8
123.11691	2.9
124.99982	2.2
125.05956	1.7
125.09644	9.6
127.03920	9.0
127.11172	2.7
129.05487	4.2
129.06998	10.2
131.04926	2.2
131.08571	18.4
133.06485	4.7
133.10115	12.2
135.04401	4.4
135.08044	2.7
135.11650	8.9
137.05981	3.9
137.09633	3.4
139.03889	4.8
139.11197	1.9
141.06926	2.2
142.07767	2.8
143.03400	1.7
143.08498	2.8
145.06496	2.4
145.10080	7.5
147.04387	5.3
147.08023	4.3
147.11667	18.8
149.05923	1.7
149.09576	9.4
151.11174	1.9
153.05418	3.6
153.12796	2.4
157.08794	2.3
157.10095	13.3
159.11710	2.7
161.06009	2.5
161.09586	3.0
163.03748	1.7
163.11165	11.7
165.12741	6.2
173.04485	7.5
173.05829	1.3
173.09616	3.8
173.11774	4.2
175.11194	13.8
177.12662	1.6
181.12213	7.7
183.06464	2.2
184.07359	6.1
185.07826	1.5
185.13286	2.0
189.11220	4.1
191.10667	5.9
193.12231	47.9
194.12590	1.7
194.58272	1.5
195.13911	2.0
199.06006	2.1
199.13210	1.6
201.12781	1.4
209.11674	6.8
211.11247	2.3
211.13292	44.4
223.13322	2.0
227.12799	14.5
229.14339	8.0
235.13217	2.0
241.14577	1.5
245.13934	1.7
249.14821	2.0
261.14752	1.9
265.14413	3.2
267.15915	16.0
268.16281	1.8
273.14847	2.2
283.15448	6.8
285.16977	8.8
289.14105	2.0
295.15262	1.5
301.16388	5.0
307.15451	2.9
325.16687	1.6
327.04926	2.2
337.16562	2.0
345.05994	3.2
353.16223	2.7
355.17371	4.1
383.21872	2.4
395.07889	1.7
411.20468	1.8
421.25839	4.5
427.19965	2.6
439.26892	7.1
457.25735	2.1
475.26736	6.3
493.27716	4.4
637.31738	6.3
643.79980	1.5
655.24536	1.8
655.33307	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	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13158	1.6
53.03946	11.3
55.01865	12.1
55.05505	27.3
57.03208	1.6
57.03431	18.6
57.07070	6.7
61.02918	1.8
65.03931	3.6
67.05497	56.3
69.03422	33.5
69.07062	14.8
71.01349	2.2
71.04995	11.3
71.14379	1.4
71.70795	2.2
73.02904	6.3
76.07687	1.4
79.05485	46.2
81.03410	100.0
81.07052	47.5
83.04975	26.6
83.08615	25.6
85.02896	25.1
85.06530	4.5
87.04506	1.9
91.05468	50.4
93.07039	28.2
94.14880	1.5
95.01303	1.7
95.04959	33.4
95.08590	18.3
97.02882	33.7
97.06515	9.1
97.10153	9.6
99.04444	9.1
99.08104	2.6
101.02393	2.7
103.05446	1.6
105.07022	23.8
107.04946	17.9
107.08583	17.0
109.02859	12.9
109.06510	6.6
109.10136	16.5
111.04433	16.8
111.08085	11.1
113.05969	2.0
115.03861	2.2
115.05428	2.1
117.07036	7.1
119.04940	6.2
119.08565	21.3
120.05251	3.0
121.06508	4.6
121.10114	14.2
123.04411	6.4
123.08050	4.4
123.11687	5.8
123.57059	1.5
125.02359	1.6
125.05975	1.8
125.09601	8.0
127.03892	10.2
127.11152	2.1
129.05458	4.7
129.06989	13.3
131.04895	2.9
131.08554	16.5
133.06491	4.5
133.10114	13.9
135.04362	3.0
135.08063	3.8
135.11690	5.8
137.05968	3.0
137.09604	2.8
139.03841	2.0
141.07043	1.5
142.07759	2.7
143.08507	2.1
145.06491	3.1
145.10094	9.1
147.04402	20.4
147.08015	4.4
147.11671	20.6
148.04764	6.2
149.09608	7.2
151.03754	1.7
153.05501	2.9
153.12733	2.3
155.08546	2.1
157.05081	1.5
157.10088	12.6
159.11670	3.5
161.05975	1.6
161.09709	2.0
163.11154	7.9
165.12752	5.7
167.06943	1.6
171.08028	1.6
173.04463	5.8
173.09634	3.5
173.11757	3.7
175.11174	15.0
181.04916	2.2
181.12234	4.3
183.06535	2.1
188.72089	1.4
189.11224	3.4
191.10693	5.7
193.12234	33.8
193.14003	1.6
199.05984	1.7
201.14824	2.8
209.11719	4.5
211.13283	43.4
223.13263	1.7
227.12772	9.6
229.14366	9.3
235.13199	1.8
247.13354	1.8
249.14937	2.0
267.15842	13.2
269.17685	1.8
283.15421	4.4
285.16974	8.0
289.14099	2.0
301.16794	1.7
303.05002	2.7
330.79083	1.6
343.04703	2.1
355.17166	1.6
393.18765	1.6
409.18362	1.7
411.19882	2.4
421.25723	6.3
439.26700	6.0
467.30356	1.7
475.26825	2.7
493.27963	3.4
495.29581	1.8
637.32288	4.1
655.33228	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24939	1.2
54.77149	1.3
55.01853	2.1
55.05504	15.2
57.03433	2.6
59.04365	1.5
65.03926	2.7
67.05499	11.4
69.03423	4.7
69.07062	1.9
71.04983	4.0
79.05510	6.7
81.03414	16.2
81.07042	9.0
83.04975	100.0
83.08604	3.3
85.02905	3.7
91.05479	13.7
93.07029	5.7
95.04968	11.3
95.08614	3.5
97.02898	4.3
97.10150	1.7
99.04457	5.2
105.07029	4.0
107.04970	8.8
107.05579	1.2
107.08621	1.8
109.02879	3.0
109.10158	5.2
111.04433	67.7
112.04758	1.5
117.07086	1.8
119.04932	14.4
119.08578	4.0
121.02932	1.5
121.06529	2.1
121.10160	2.9
123.04436	14.2
123.08061	1.6
127.03888	1.9
129.05452	8.5
129.06989	2.8
131.08519	2.0
133.06482	3.0
133.10150	2.0
135.11745	1.7
137.05930	1.7
140.37477	1.5
145.10162	2.1
147.04399	85.4
147.11671	2.8
148.04707	3.7
149.09612	1.5
150.65996	1.5
157.10179	2.0
157.92413	1.4
159.07823	1.4
163.11209	2.6
165.05475	4.7
169.04999	1.9
171.06493	16.0
173.04541	2.2
173.05946	3.0
173.09718	1.6
173.11678	2.2
175.11183	2.3
180.95906	1.3
181.12206	1.7
185.09566	2.1
191.10713	1.6
193.12260	5.7
209.11761	2.9
211.13324	4.1
213.09036	2.1
229.14359	3.1
231.08504	2.4
257.51257	1.3
267.15924	4.6
275.09094	1.7
303.04965	16.4
335.11276	3.8
421.25888	2.3
422.26077	2.8
457.25488	1.8
461.06998	1.5
475.27026	2.9
517.27216	1.6
623.19635	1.5
637.32336	1.9
655.33008	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	655.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44360	1.4
53.03955	1.4
55.01862	1.6
55.05297	1.2
55.05510	14.7
57.03423	3.3
57.69081	1.2
61.02903	1.6
67.05502	11.7
69.03419	6.6
69.07056	2.7
71.04989	3.8
71.29337	2.4
71.29659	1.5
73.24944	1.1
79.05486	8.1
81.03413	13.8
81.07060	8.9
81.65266	1.3
83.04977	100.0
83.08587	2.7
85.02903	4.5
91.05489	11.6
93.07050	6.4
94.59486	1.2
95.04958	13.2
95.08589	4.8
97.02877	4.0
99.04432	3.8
105.07019	4.5
107.04943	8.3
107.08579	3.8
109.02896	3.1
109.06480	1.4
109.10156	7.0
111.04436	70.5
113.06015	1.5
117.07009	1.7
119.04942	17.3
119.08566	4.1
121.02917	1.3
121.06535	3.0
121.10120	4.5
123.04405	12.9
123.08082	1.4
127.03918	3.5
129.05493	10.0
129.06990	2.2
131.08545	2.8
133.10104	3.1
135.08055	1.5
135.11676	2.5
137.02330	1.3
137.05907	1.8
145.06448	2.0
145.10071	2.3
147.04405	99.1
147.11673	3.2
148.04810	1.6
153.05463	2.0
157.10071	2.7
161.06039	1.3
163.11229	2.0
165.05469	6.0
166.16074	1.3
167.07098	1.5
169.04948	2.5
171.06537	15.5
173.11652	1.5
175.11174	1.8
181.12256	2.0
185.78163	1.5
187.07460	2.5
193.12274	6.0
209.11696	4.0
211.13368	4.3
213.09102	2.5
224.70908	1.5
227.12708	3.6
229.14259	2.9
231.08662	4.5
257.07898	1.3
267.15851	5.7
268.16104	1.8
275.09024	2.1
283.15479	1.9
303.05048	17.6
309.35913	1.4
335.11212	7.9
421.25836	2.6
429.54126	1.6
475.27011	2.7
479.28241	1.3
493.27771	3.2
531.30273	1.3
655.32721	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	655.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01865	6.1
55.05509	29.3
57.03437	11.7
57.03672	2.1
57.07056	2.4
61.02919	2.6
65.03941	2.7
67.05501	41.6
68.99786	3.3
69.03427	16.7
69.07069	8.2
71.01342	3.5
71.04990	26.9
71.72173	2.1
73.02924	1.7
79.05491	19.9
81.03410	42.8
81.07053	48.9
83.04975	100.0
83.08630	8.8
85.02905	28.5
85.06537	4.5
91.05475	39.7
93.03429	2.4
93.07032	23.1
95.04961	24.6
95.08606	11.5
97.02890	14.8
97.06532	5.7
97.10160	4.7
99.04436	4.9
100.55516	1.7
101.04436	1.8
101.06010	3.3
105.07018	19.0
107.04948	25.3
107.08575	12.5
109.02865	9.0
109.06514	3.8
109.10143	9.9
111.04436	67.6
111.08039	3.8
113.05981	4.7
117.07014	6.0
119.04942	24.3
119.08579	10.9
120.05715	10.0
121.02876	4.5
121.06498	4.9
121.10123	9.8
123.04431	20.9
123.08050	3.0
123.11703	6.8
125.09602	4.1
127.03882	8.0
129.05486	15.5
129.07002	5.9
130.15765	1.7
131.08568	8.1
133.06479	2.9
133.10110	11.5
135.04472	1.9
135.11720	3.8
137.02364	8.4
137.05994	3.0
139.03876	3.6
143.08556	2.8
145.06509	1.8
145.10143	4.0
147.04399	38.7
147.08064	3.5
147.11668	12.4
149.05971	2.1
149.09627	5.9
149.13303	2.5
151.11148	2.7
153.01830	14.1
153.05447	5.5
153.12781	2.8
157.06445	1.9
157.10123	6.2
159.11693	5.3
161.05899	2.5
163.11176	3.9
165.05469	7.7
165.12767	2.8
171.06519	27.4
173.04471	5.2
175.11221	4.0
177.12830	2.4
181.32191	1.9
183.06592	1.8
187.13271	4.9
189.05524	5.4
189.07570	10.6
193.12256	17.9
195.13763	3.9
201.05438	3.0
203.03430	2.2
209.11584	2.5
211.13278	20.5
217.04977	16.0
227.12830	3.5
229.04953	6.2
229.14394	2.3
231.08594	2.6
235.13399	2.1
245.04491	19.4
257.04413	5.7
267.15958	9.8
269.17490	3.7
273.03897	20.0
274.04666	2.7
283.15463	2.3
285.03961	4.3
285.16937	4.8
301.03415	50.6
301.14124	1.8
302.04175	12.4
303.04984	75.9
315.05017	4.2
327.05023	4.6
329.03009	2.1
335.11157	4.2
337.16132	2.2
339.17929	2.3
383.25644	1.8
394.06671	1.8
395.07388	3.4
407.07593	49.7
421.09222	22.5
435.27277	3.9
449.08615	30.2
461.29092	6.4
467.09668	36.7
467.29938	3.9
479.09744	4.0
509.10489	4.7
511.32718	3.7
535.11890	4.4
559.12286	19.6
577.13153	5.5
595.14453	15.1
623.33832	2.2
637.15460	12.4
655.35681	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.3
55.01861	8.4
55.05504	36.4
57.03441	15.7
61.02883	2.6
62.73380	2.4
65.03932	7.7
67.05499	87.4
68.05817	4.4
69.03425	24.1
69.07059	17.5
70.07515	17.3
71.04995	16.6
71.05335	2.9
79.05486	93.9
81.03410	100.0
81.07050	76.6
82.07389	3.6
83.04974	51.5
83.08609	29.6
85.02898	29.6
85.06552	5.3
87.04465	2.7
91.05469	87.3
93.07035	81.8
95.01334	6.3
95.04955	42.5
95.08592	38.4
96.08907	2.8
97.02863	20.0
97.06532	10.0
97.10165	10.9
99.04452	5.6
105.07014	57.1
107.04924	17.4
107.08580	31.8
109.02881	12.2
109.06499	13.6
109.10143	19.4
110.10481	4.4
111.04424	14.9
111.08028	13.2
115.05482	3.6
117.06995	18.8
119.04915	4.6
119.08561	36.3
121.06496	10.8
121.10114	14.4
123.08082	7.3
123.11735	6.3
125.06018	2.8
125.09648	4.2
127.03940	8.3
128.06166	6.4
129.05472	9.2
129.06979	30.5
131.04912	4.5
131.08543	19.7
133.06468	9.8
133.10136	24.4
135.08012	4.1
135.11655	9.6
141.06984	4.0
142.07785	4.0
143.08556	13.5
145.06517	5.2
145.10080	16.1
147.04419	7.2
147.08069	7.2
147.11667	43.8
147.41400	2.7
149.09599	7.3
149.13261	3.7
153.12720	3.1
155.08560	5.8
157.10091	13.1
159.08028	3.9
159.11633	5.3
161.13232	12.6
163.11180	9.4
165.12845	3.3
171.06512	3.2
171.07997	3.6
171.11687	24.1
173.04448	4.1
175.11122	16.6
177.12746	3.6
181.12216	4.9
189.12756	10.8
193.12216	35.1
207.13789	22.4
211.13275	44.1
225.14868	3.7
227.12711	14.1
229.14308	5.6
249.14944	3.2
267.15894	23.9
281.17450	66.8
282.17453	3.3
283.15628	3.5
285.16949	18.9
287.16458	8.4
317.02841	4.6
318.03668	4.4
319.04330	3.2
355.17847	4.1
398.26266	7.7
411.27405	3.7
424.27853	4.1
429.21628	13.4
456.30350	11.5
465.08209	4.5
473.28922	48.4
474.29706	4.2
483.09488	3.4
491.29791	25.2
635.34320	26.2
653.34991	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	653.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01863	0.7
55.05505	4.9
57.03411	0.3
65.03925	0.9
67.05483	0.7
69.03420	0.6
69.07056	0.3
70.38118	0.8
71.04982	0.8
79.05475	0.4
81.03397	0.5
81.07041	0.9
83.04975	27.5
83.08595	0.2
85.02895	1.7
91.05473	9.7
92.59525	0.2
93.07043	0.3
94.10984	0.2
95.01312	0.3
95.04964	1.6
95.08585	0.4
105.07027	0.4
107.04941	3.4
109.06495	0.2
109.10181	0.4
111.00822	0.3
111.04437	16.0
112.04744	0.3
113.05974	0.4
115.05418	0.2
117.07009	0.4
119.04935	24.6
120.05772	1.1
121.02866	0.6
123.04402	1.2
129.05473	1.7
131.04913	0.2
133.06436	0.5
134.42564	0.3
141.06944	0.4
145.06541	0.3
147.04398	100.0
148.04761	1.5
151.03903	0.5
153.01826	1.5
153.05440	0.6
159.08011	0.4
161.06009	0.3
165.01828	0.3
165.05510	1.2
165.06743	0.3
169.04965	1.4
169.06392	0.5
171.06541	2.8
173.06010	0.7
185.05957	0.5
185.09618	0.7
187.07533	1.0
191.03375	0.9
197.05994	1.0
205.04967	0.6
211.07549	0.4
213.09076	1.8
215.07063	1.2
217.04866	0.4
219.02843	0.3
229.08513	0.3
231.10237	0.5
233.04445	0.6
239.07117	0.4
245.04475	0.9
257.08060	1.0
261.03918	1.1
273.03918	0.3
275.09119	1.0
289.03400	0.9
290.04303	0.3
301.03110	0.3
317.02850	3.6
318.03650	1.9
319.04443	7.6
329.02945	0.3
331.04581	0.4
335.11252	4.1
343.04410	0.6
361.05579	0.6
403.06271	0.3
411.06894	0.4
431.60034	0.2
437.08459	0.6
465.07962	1.7
483.09171	1.6
611.13904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24522	0.2
53.03941	0.3
55.01862	0.8
55.05242	0.4
55.05505	5.5
56.04677	0.2
65.03918	1.1
69.03419	0.4
70.27235	0.2
83.04973	30.0
91.05471	8.5
95.04983	1.5
97.02843	0.3
107.04969	2.3
109.06437	0.3
110.90887	0.2
111.00714	0.2
111.04440	14.7
111.68832	0.2
112.04739	0.3
113.02293	0.2
119.04934	21.0
120.05269	0.4
121.02882	0.5
123.04404	0.5
129.05455	1.3
145.06448	0.4
147.04398	100.0
148.04720	1.7
151.03902	0.5
152.06180	0.3
153.01808	0.7
157.06470	0.3
159.08017	0.3
165.05438	0.6
169.04974	1.9
169.06227	0.4
171.06537	1.6
171.07877	0.4
173.05986	2.0
183.08083	0.2
185.09586	0.6
187.07527	1.0
189.05478	0.3
193.12277	0.3
195.07909	0.3
197.05986	0.3
213.09073	2.6
215.07050	0.6
217.04913	0.4
229.08629	0.3
229.32608	0.3
231.10283	0.4
245.04385	0.4
257.08188	1.1
267.46356	0.2
275.09109	1.0
319.04465	5.0
320.04962	0.2
335.11212	6.6
411.06979	0.3
423.07007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.05510	9.6
57.03425	4.5
57.07049	2.5
59.04992	2.8
61.02894	3.4
65.03913	2.9
67.05499	100.0
69.03421	3.3
69.07059	3.9
71.04614	1.9
71.04982	20.8
71.72350	1.9
73.02881	1.2
74.70002	1.2
75.39758	1.1
79.05488	9.8
81.03404	2.8
81.07052	62.3
83.04967	4.8
83.08602	7.9
85.02885	3.7
85.06544	8.4
91.05460	17.8
93.07039	12.1
95.04958	1.9
95.08591	8.3
97.02871	4.0
97.06515	2.7
97.49049	1.1
99.08080	1.2
105.07028	6.9
107.04915	1.3
107.08599	8.8
109.02882	1.3
109.10145	72.0
111.04409	2.2
111.08068	4.1
117.07011	2.2
119.08563	6.6
121.10109	2.3
123.11720	10.5
127.03867	1.3
131.08591	1.8
133.10112	13.3
135.11671	2.1
137.09618	3.4
149.13237	4.2
149.97395	1.1
151.11189	5.5
155.10709	2.8
159.11620	2.3
173.11732	15.2
183.13689	2.6
187.13326	4.1
195.13824	1.6
229.14302	20.9
269.17526	4.5
301.20016	11.9
397.25824	82.2
398.26038	1.9
411.27365	5.4
423.27417	32.9
455.30023	94.8
493.95361	1.3
624.95538	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.6
53.04187	2.6
55.05514	15.3
57.03429	3.1
57.06810	3.3
57.07073	48.4
63.65277	2.6
66.08465	2.3
67.05503	45.0
69.03427	18.6
69.07063	18.4
69.76421	15.0
69.76833	4.1
71.04994	4.0
71.08629	41.0
78.03175	2.4
79.05494	23.7
81.03415	48.5
81.07053	66.4
83.04976	10.4
83.08601	18.3
85.06516	3.3
85.10178	20.8
91.05479	16.8
93.07048	24.9
95.04961	11.2
95.08608	40.5
97.02901	14.1
97.06525	5.8
97.10143	6.9
99.04417	5.3
99.08076	3.1
100.83212	2.4
104.30267	2.3
105.07035	8.8
107.08581	11.2
109.02862	6.0
109.06502	4.3
109.10165	13.0
111.04430	7.6
117.07019	5.1
119.08572	5.4
120.72958	2.3
121.10143	7.0
123.11703	8.8
127.03923	11.4
131.08571	7.2
133.10141	10.6
135.11728	6.4
137.13208	3.0
145.06511	4.3
145.10130	2.7
147.11664	7.6
149.13251	14.5
159.11688	8.1
163.02097	2.4
165.12744	5.0
175.11250	2.5
177.12775	6.2
195.13832	14.4
239.23741	10.9
258.10318	2.7
303.16306	2.8
313.27414	14.8
321.16901	7.0
339.18082	19.9
341.27042	3.5
383.27930	3.2
395.20676	10.3
459.21695	2.9
489.31604	3.0
504.73907	2.7
507.40533	16.6
651.28040	4.0
651.44556	100.0
652.44580	5.2
677.25391	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	651.41
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80057	3.0
53.03938	9.9
54.02793	2.8
55.01863	4.9
55.05510	33.2
57.03438	8.6
57.07065	12.9
57.33730	3.2
67.05499	100.0
67.90392	2.8
69.03426	33.3
69.07056	18.4
70.57036	2.7
70.91392	4.0
70.91734	5.9
71.04988	5.8
71.08624	9.0
79.05486	36.4
81.03413	68.2
81.07053	68.8
83.04978	31.0
83.08624	15.0
83.33051	2.9
85.02884	8.0
85.10164	3.0
91.05463	26.4
93.07036	35.6
95.04967	11.9
95.08598	51.3
97.02895	20.8
97.06515	3.1
97.10159	20.0
99.04442	6.0
105.07018	25.6
107.04951	4.4
107.08588	25.2
109.02888	10.6
109.06495	4.5
109.10142	50.6
111.04456	13.5
111.08071	6.8
115.05450	3.6
117.07007	17.0
119.08582	21.0
121.06501	3.9
121.10113	17.4
123.08046	3.1
123.11699	6.8
125.09647	12.7
127.03925	12.3
129.05444	13.3
129.06931	6.2
131.08598	13.5
133.06462	3.5
133.10126	12.2
135.08044	7.0
135.11720	13.8
137.09654	3.9
143.08566	9.8
145.10139	9.4
147.08052	2.9
147.11679	8.2
149.13260	6.2
155.08661	3.6
157.10114	5.7
159.11671	7.9
161.13303	4.8
163.11215	5.2
163.14880	3.2
169.10167	4.9
171.08064	3.6
171.11682	6.0
173.11720	10.3
173.13254	7.6
175.11174	4.1
177.12686	4.5
185.13242	3.6
189.11189	13.2
197.13174	4.3
227.12766	18.0
229.14291	21.1
231.30232	2.9
239.23700	4.0
245.13768	4.6
259.20636	3.6
261.22104	7.0
263.23566	4.4
299.15002	4.0
303.23303	4.4
313.27499	4.1
335.25800	12.2
337.27319	15.4
351.23099	5.0
369.24210	6.5
371.16736	3.5
373.23224	2.9
387.25381	5.0
507.36652	5.7
615.39825	8.4
633.39966	17.2
651.42401	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	651.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70042	0.8
52.72913	0.9
53.57596	0.7
67.01849	3.1
68.99784	7.2
69.03426	2.2
69.39012	0.8
71.17026	2.6
78.46291	0.8
91.05479	0.9
95.04929	1.8
95.42211	0.9
97.02854	1.7
98.20805	0.9
107.04929	1.7
111.00803	3.0
121.02876	3.6
124.43938	0.8
135.04391	1.9
137.02332	1.5
147.04424	2.2
153.01819	100.0
154.02187	2.0
163.03900	18.0
165.01797	1.6
171.02861	1.8
177.01724	1.1
179.03374	5.5
183.02972	1.4
185.02373	1.2
187.03923	1.1
189.01801	1.1
191.03386	31.0
192.01976	0.7
192.04146	3.1
193.04922	3.0
195.02850	3.4
199.03772	1.2
202.02452	1.7
203.03383	8.4
205.01190	1.1
207.02888	2.7
211.03914	1.3
215.03375	2.8
217.05022	2.1
219.02882	22.4
220.03571	6.9
221.04424	8.7
227.03384	2.7
229.04935	1.9
231.02875	31.1
232.03526	2.5
237.05428	1.4
239.03558	2.0
243.02867	2.3
245.04408	1.6
247.02374	20.7
248.03188	2.2
253.01294	1.2
253.04904	2.4
255.02873	3.7
259.02277	5.1
260.03488	1.2
261.03833	1.1
265.04877	1.7
267.02908	1.7
269.04483	2.1
271.02417	3.3
273.03806	1.5
281.00964	1.0
281.04385	3.3
283.02368	5.4
285.03867	4.2
287.01819	1.5
293.04431	3.8
294.03510	2.0
295.02515	1.8
295.05688	1.7
297.03702	1.9
299.01865	1.2
301.03400	3.0
302.04068	1.0
305.04437	2.7
307.05923	1.7
309.03864	4.3
310.04584	1.7
311.01855	2.2
311.05255	1.4
312.02823	1.2
313.03421	9.1
315.01279	1.3
319.04672	1.1
321.03949	5.3
323.01883	1.9
323.05521	2.9
325.03317	1.7
327.01205	1.3
327.04977	1.7
329.02908	27.0
330.03644	1.4
333.03986	2.2
335.05475	1.8
337.03445	3.5
338.03946	1.2
339.04904	1.4
343.04453	2.1
349.03427	3.6
350.04129	1.8
351.05051	4.8
353.03021	3.1
355.00720	1.3
355.04910	1.2
357.02234	1.0
359.03885	7.9
361.03287	2.7
363.04999	2.3
365.02905	8.9
366.03641	2.7
367.04593	1.4
369.02573	4.7
377.02991	5.9
378.03656	1.1
379.04633	7.9
383.04370	1.0
385.01968	3.5
389.02850	2.5
391.04401	3.0
393.02411	6.0
394.03162	10.0
395.04019	3.8
405.02353	4.9
406.03137	1.0
407.04041	8.1
417.02283	2.6
419.03897	1.9
421.01361	1.5
425.05124	1.8
429.02148	1.5
433.01776	3.5
435.03271	4.9
443.03741	1.1
445.01611	1.3
447.03369	3.7
451.03183	1.6
453.04315	1.8
461.01291	4.1
463.03098	2.3
469.05157	1.5
475.02594	1.3
481.04141	1.2
485.04922	1.5
489.01376	1.3
497.04605	1.2
503.05887	1.9
513.04218	3.9
525.04309	2.9
531.05194	2.0
541.03601	3.8
543.05469	2.3
547.04742	1.2
559.04895	2.5
569.03754	4.2
571.05017	16.1
587.04547	75.7
588.04395	3.1
589.06171	10.4
597.03040	6.4
605.05212	2.7
607.06854	3.8
615.04010	62.7
616.03882	3.0
633.05121	33.7
651.06012	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50869	2.6
51.02360	2.6
53.03941	14.1
55.01859	9.3
55.05289	2.6
55.05512	28.2
57.03436	12.7
62.47410	2.4
63.63976	3.0
65.03919	5.2
67.05499	70.4
69.03431	22.2
69.07063	16.9
71.01331	2.8
71.04969	5.9
71.70285	4.0
73.06536	4.9
79.05489	100.0
80.05824	2.7
81.02967	3.9
81.03414	49.9
81.07055	60.5
83.04982	23.9
83.08616	7.3
85.02890	12.5
85.06523	4.8
91.05476	93.0
93.07036	84.9
95.04955	33.8
95.08590	43.6
95.59209	2.5
97.02892	12.1
97.06522	7.4
97.10110	4.9
99.04442	6.5
103.05455	3.5
105.07022	64.9
105.07733	3.4
107.04951	15.9
107.08588	33.5
109.02859	7.1
109.06502	12.0
109.10143	9.6
111.04416	4.3
111.08077	2.5
115.05459	8.3
116.05434	2.8
117.07014	27.1
119.08556	38.4
121.06498	9.1
121.10133	11.4
123.04407	2.7
123.08037	9.6
126.72375	2.7
127.03876	8.0
128.06207	8.2
129.06992	34.0
131.08548	23.9
133.06476	7.8
133.10097	15.9
135.08049	7.2
135.11673	9.4
141.06958	6.5
142.07751	4.1
143.08565	22.3
145.06450	8.7
145.10095	20.1
147.08031	10.2
147.11673	42.0
149.09604	3.6
155.08502	6.9
157.06448	6.8
157.10117	6.8
159.08067	7.0
159.11720	5.7
161.05904	2.5
161.09627	4.6
161.13211	16.7
163.11194	4.4
167.08516	3.3
169.10135	6.2
170.39670	2.7
171.07993	5.2
171.11671	37.7
173.04396	8.3
173.13225	5.4
175.14787	2.9
177.12730	4.1
179.14256	4.5
181.10149	2.9
183.08098	3.2
183.11740	4.1
185.09624	2.7
185.13258	4.1
187.07414	3.5
187.11180	4.2
189.12730	19.4
193.04935	3.4
195.08189	2.6
195.11638	3.0
199.14787	3.3
207.13800	41.2
219.13789	3.8
221.15526	3.5
223.14787	4.5
225.14693	6.2
233.13077	3.2
233.15253	3.2
241.15858	6.1
251.14246	5.7
259.17221	3.5
269.15381	11.1
281.17459	50.9
287.16443	15.3
309.16910	4.3
322.42203	2.6
333.16864	2.7
343.19043	4.0
487.30536	42.4
501.32065	4.8
567.32941	7.5
618.86322	3.1
631.34583	9.1
649.17572	2.8
649.37292	8.8
649.50293	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	647.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
67.05512	3.3
69.07060	0.7
71.49691	0.4
71.71720	0.7
79.05496	1.8
81.03418	1.0
81.07056	1.9
83.16337	0.5
91.05480	1.4
91.82866	0.5
93.07049	2.0
95.08601	1.1
105.07014	1.1
107.08565	0.6
109.10150	0.9
117.07041	0.7
119.08569	1.1
121.10150	0.7
129.06993	0.8
133.10135	0.6
134.74968	0.4
145.10075	0.8
147.11684	0.6
159.11659	0.5
183.11687	0.5
203.05276	0.7
243.08391	0.7
429.26147	1.9
485.28989	1.4
506.35461	0.5
620.63898	0.5
647.33972	100.0
648.34460	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	647.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44265	0.2
53.00298	0.8
55.01859	0.4
55.05510	1.1
57.07060	0.2
59.14299	0.2
65.03934	1.3
67.05492	1.7
68.99784	0.8
69.03423	0.2
69.07057	1.3
70.95634	0.4
71.04977	0.3
79.05481	1.3
81.03414	0.2
81.07050	3.7
83.04976	0.5
83.08611	0.5
86.09727	0.2
91.05479	0.8
93.03376	0.2
93.07031	2.3
95.04980	0.6
95.08599	3.5
97.06535	0.3
97.10163	0.8
99.08090	0.2
100.44508	0.2
103.04229	0.1
105.07027	1.5
107.04940	0.3
107.08577	2.1
109.10146	2.2
111.00787	1.1
111.04443	1.5
111.08098	0.4
111.11652	0.2
115.05426	0.2
117.03241	0.2
119.08549	1.1
121.02847	1.1
121.10142	1.4
123.04425	2.3
123.08092	0.3
123.11696	1.2
125.09613	0.3
127.03899	1.1
129.06979	0.2
131.08586	0.3
133.10117	0.9
135.04407	0.7
135.11659	1.1
137.09616	0.3
137.13231	0.3
139.03885	100.0
140.04187	0.8
145.10074	0.3
147.11665	0.7
149.05933	0.4
149.13242	2.6
151.03894	6.4
151.11211	0.2
153.05458	0.9
159.04312	0.4
159.11661	0.2
161.05925	0.2
161.13255	0.4
163.03899	6.2
163.14803	0.6
165.05441	0.2
165.09151	0.2
165.16420	0.2
175.14749	0.2
177.05469	0.5
177.16434	0.2
179.03477	0.2
179.07001	1.2
179.14218	0.2
181.04936	0.5
184.07376	0.3
187.14836	0.3
189.16400	0.2
205.04938	3.1
215.07047	0.2
217.19098	0.2
247.05891	0.3
259.24210	0.6
261.04083	0.2
261.22125	0.3
265.21579	0.2
269.22610	0.3
271.06015	0.5
277.25287	0.7
279.23166	0.5
280.47110	0.2
287.23849	0.3
289.07037	12.4
290.07465	0.3
293.24640	0.8
301.06989	0.4
305.24716	3.7
307.08301	0.4
322.03043	0.2
323.25760	2.6
443.27856	0.2
450.47849	0.2
473.28064	0.2
593.31641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01867	1.3
55.05507	6.0
57.03435	6.6
57.07057	1.0
61.02903	1.7
62.35053	0.4
65.03930	0.8
67.05503	28.3
69.03410	1.1
69.07066	8.9
71.01345	1.9
71.04979	2.6
71.72529	0.8
74.61651	0.4
79.05488	21.6
81.03426	3.2
81.07053	25.8
83.04977	4.9
83.08614	4.5
85.02879	1.7
85.06530	2.0
91.03960	0.8
91.05479	10.2
93.07039	30.4
95.04958	2.6
95.08591	5.9
97.02864	1.3
97.06531	7.5
97.10174	4.3
99.04410	0.5
99.08059	0.9
105.07019	3.6
107.04939	0.7
107.08589	19.3
109.06512	1.3
109.10135	3.0
111.08062	2.6
111.11710	0.5
117.07001	3.7
119.08572	3.0
121.06512	1.5
121.10131	4.6
123.11691	1.7
125.09623	0.6
130.49205	0.5
131.08546	2.0
133.10120	4.6
135.08058	1.4
135.11684	20.2
137.09598	0.6
143.25600	0.5
145.10120	3.0
147.11652	1.0
149.13239	5.7
153.12695	1.0
159.11691	2.4
163.11128	3.1
177.12659	1.1
181.12286	3.3
184.07333	0.6
195.13809	4.2
213.14787	0.6
251.16461	0.8
255.15916	27.4
269.17487	15.8
449.28976	100.0
450.29297	2.5
593.32904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.46497	0.5
55.01860	1.2
55.05503	7.6
57.03434	9.7
57.07063	1.6
57.62434	0.5
59.10450	0.4
61.02916	1.2
63.64451	0.4
66.46069	0.5
67.05500	29.5
69.07071	9.8
69.71847	1.5
69.72277	2.4
71.01346	1.6
71.04982	3.2
72.76613	0.5
73.02921	0.8
75.64102	0.5
79.05035	1.1
79.05492	21.0
81.03406	2.6
81.07052	27.2
83.04971	6.8
83.08620	5.3
85.02893	2.0
85.06535	2.2
91.03938	1.0
91.05476	9.6
93.07039	35.1
95.04971	3.3
95.08595	7.7
97.02869	0.7
97.06525	8.1
97.10175	4.8
99.08084	1.6
105.07034	2.2
107.04941	0.9
107.08591	20.2
109.06516	1.3
109.10118	2.6
111.08068	2.9
117.06995	4.1
119.08565	2.4
121.06464	0.8
121.10148	9.2
123.11745	0.7
125.05997	0.6
125.09660	1.1
127.03883	0.5
131.08548	2.0
133.10098	2.3
135.08084	1.0
135.11691	20.2
145.10120	3.5
147.11757	0.5
147.59731	0.5
149.13234	9.8
153.12741	0.6
159.11703	5.2
163.11154	2.8
177.12732	1.7
181.12209	4.2
184.07277	0.6
195.12231	0.6
195.13748	3.2
199.13316	0.5
213.14838	0.7
233.55954	0.5
255.15907	30.6
268.30356	0.5
269.17465	26.0
276.95865	0.5
360.54663	0.5
429.11603	0.6
449.28970	100.0
450.29333	1.2
462.32016	0.6
509.06479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67859	0.6
63.98915	0.5
70.99168	1.3
70.99509	0.6
82.45695	0.5
106.49279	0.6
115.66204	0.5
268.64941	0.6
401.17554	1.0
402.18585	0.7
403.19202	1.4
415.19577	0.9
416.20325	0.8
417.20831	2.4
418.21561	1.0
429.16986	1.7
430.17398	0.9
431.18698	3.8
431.23386	1.2
432.23428	1.3
433.23813	5.8
444.19061	4.0
445.19827	5.0
446.21024	0.9
457.20520	0.8
459.21780	37.5
460.22690	7.1
461.23361	4.8
465.89957	0.6
470.19537	0.9
473.23331	2.0
487.25311	1.0
498.22830	0.7
505.26123	1.1
519.23730	6.1
531.23767	2.8
546.26337	1.9
547.27081	19.3
547.35565	0.9
563.26227	0.9
570.36719	0.6
574.25726	2.5
576.23090	0.9
591.26306	2.8
606.28351	100.0
607.28925	3.8
617.26025	0.9
628.47968	0.7
646.30963	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	645.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97274	0.1
53.00293	0.7
53.03944	0.2
55.01854	0.5
55.05252	0.2
55.05507	2.2
57.03421	0.2
57.07079	0.3
60.30913	0.1
65.03939	1.2
67.05504	1.1
68.99786	1.2
69.03415	0.4
69.07065	1.7
71.04976	0.2
72.57710	0.1
75.27132	0.1
79.05474	0.9
81.03377	0.1
81.07054	3.1
83.04980	0.7
83.08614	0.6
83.85337	0.1
85.02900	0.2
85.06532	0.4
87.19823	0.1
89.03902	0.1
91.05472	0.5
93.03400	0.4
93.07035	1.2
95.04971	0.3
95.08606	2.9
97.02898	0.2
97.06525	0.4
97.10167	5.8
98.21477	0.3
99.08077	0.2
101.05989	0.1
105.07058	0.7
107.04948	0.4
107.08589	1.2
109.06521	0.4
109.10139	1.7
111.00800	1.5
111.04453	1.8
111.08070	0.2
119.08538	0.7
121.02869	1.0
121.10149	1.0
123.04458	1.5
123.08053	0.4
123.11701	1.6
125.09620	1.6
127.03912	1.4
131.08560	0.2
133.02803	0.1
133.10141	0.5
135.04428	0.6
135.11699	0.7
137.09618	0.3
137.13226	0.5
139.03897	100.0
139.11165	0.4
140.04253	0.6
141.09097	0.4
143.10675	3.1
145.02800	0.2
145.10115	0.4
147.04408	0.3
147.11745	0.7
149.05989	0.6
149.13297	0.7
151.03906	4.4
151.07468	0.3
151.14810	0.5
153.05447	0.4
153.12711	0.2
157.12263	0.4
159.11739	0.4
160.42957	0.2
161.06027	0.2
161.13248	0.5
163.03909	7.4
163.14822	0.3
165.05522	0.2
165.12749	0.4
167.07068	0.3
167.14308	0.2
169.04961	0.2
169.08611	0.2
171.10133	0.3
173.13211	0.2
177.05481	0.6
177.12752	0.2
179.03403	0.2
179.07027	1.6
179.14337	0.3
181.04961	0.4
187.09579	0.2
187.14876	0.4
189.11253	1.3
195.13745	0.2
203.12778	0.2
205.04964	3.7
225.05505	0.2
229.04939	0.3
229.10863	0.2
229.16092	0.2
243.06578	0.2
245.22601	0.2
247.06035	0.4
247.16895	0.2
251.16383	0.3
253.40863	0.2
261.03940	0.4
261.07602	0.2
263.23691	0.2
271.06070	0.6
275.23737	0.3
285.22018	0.2
287.05606	0.2
289.07059	12.7
290.07489	0.2
291.23224	0.7
293.24780	0.2
298.99323	0.2
301.07028	1.0
301.10165	0.2
303.23206	2.0
307.08298	0.4
309.24246	1.8
315.15573	0.2
321.24258	5.3
339.25244	1.0
459.27567	0.2
471.27658	0.2
477.02823	0.2
483.27414	0.2
560.81525	0.1
584.04102	0.1
597.31671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68406	0.1
53.00304	0.6
53.03933	0.3
54.38880	0.1
55.01865	0.4
55.05506	2.5
65.03942	1.2
67.05499	1.5
68.99778	1.4
69.03412	0.5
69.06709	0.2
69.07066	2.3
71.28250	0.4
79.05477	1.0
81.07049	4.4
83.04969	0.7
83.08607	0.4
85.06541	0.3
89.03902	0.2
91.05463	0.3
93.03391	0.5
93.07035	1.6
95.04961	0.7
95.08600	3.1
97.02900	0.3
97.06518	0.7
97.10160	6.0
98.60381	0.2
99.08074	0.4
101.06007	0.3
103.05376	0.2
105.07040	1.0
107.04935	0.3
107.08588	1.2
109.06512	0.5
109.10141	1.3
111.00806	1.6
111.04440	1.8
111.08056	0.5
111.11706	0.5
114.46462	0.2
117.03374	0.2
117.06966	0.2
119.08544	1.1
121.02872	1.3
121.10121	1.8
123.04426	2.1
123.08093	0.3
123.11697	3.3
125.09613	1.3
127.03893	1.6
129.56973	0.2
131.08533	0.2
133.06519	0.2
133.10133	0.5
135.04439	1.0
135.11639	0.9
137.09599	0.3
137.13257	0.6
139.03891	100.0
139.11182	1.8
140.04230	1.1
143.10663	2.7
145.02853	0.3
145.10118	0.5
147.08008	0.1
147.11693	1.1
147.16878	0.1
149.05988	0.4
149.09647	0.2
149.13272	0.7
151.03899	4.1
151.14850	0.3
153.05446	0.7
153.12714	0.5
156.15923	0.2
157.10175	0.2
157.12221	1.5
159.04378	0.3
159.11690	0.5
161.05994	0.6
161.13255	0.5
163.03903	8.0
163.11154	0.4
163.14857	0.2
165.05495	0.2
165.12764	0.7
167.06967	0.3
168.07410	0.2
171.10156	0.1
173.05972	0.3
173.13245	0.3
175.14835	0.3
177.05495	0.7
177.12747	0.2
179.03452	0.2
179.07031	1.6
180.71506	0.2
181.04941	0.4
183.13831	0.2
187.03957	0.2
187.13318	0.2
189.11253	1.6
191.06990	0.2
197.05980	0.2
201.16393	0.2
201.92679	0.2
203.06931	0.2
203.12726	0.7
203.17918	0.2
205.04970	4.2
205.06892	0.2
233.15385	0.2
243.06471	0.4
247.06052	0.3
247.17010	0.2
251.16331	0.3
261.03928	0.3
269.17371	0.2
271.06055	0.8
275.23679	0.5
277.21518	0.2
285.22177	0.4
289.07053	14.3
291.23178	0.9
301.07074	0.7
303.23169	2.7
304.23706	0.2
307.08218	0.4
309.24179	1.1
321.24234	5.9
339.25320	1.8
432.08749	0.2
609.30658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79760	0.5
55.05500	1.7
57.03432	2.5
59.92645	0.5
61.02917	3.2
67.05495	5.9
69.03404	1.0
69.07059	2.9
69.72546	0.6
70.76845	0.8
70.77161	1.2
71.04982	1.0
73.02889	1.6
79.05476	2.7
81.03411	0.6
81.07049	19.2
83.04971	1.9
83.08596	2.4
85.02910	3.2
85.06526	1.5
91.03950	3.2
91.05470	4.9
91.46246	0.5
91.99339	0.6
93.07019	2.7
95.04972	1.1
95.08600	4.1
97.02852	2.0
97.06518	1.7
99.08067	1.2
105.07021	8.2
107.08600	3.4
109.06519	0.9
109.10146	0.6
119.08583	6.6
121.10126	5.7
123.08057	0.8
123.11700	10.5
124.03075	0.5
127.03899	1.3
133.10106	1.0
137.05942	1.3
139.03896	2.6
142.53465	0.6
145.04958	1.3
147.11674	23.2
163.06003	2.5
165.12735	11.1
175.11156	0.9
183.13811	1.5
193.12296	0.6
229.14389	2.9
267.12961	0.6
267.15887	22.3
285.16937	100.0
286.17328	2.1
429.21201	1.4
433.94031	0.6
447.22266	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	643.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25523	0.7
53.03945	1.6
55.01862	2.9
55.05492	2.8
60.63054	0.7
65.03959	0.9
67.05503	6.4
68.99789	4.8
69.03419	1.0
69.07062	3.9
69.65006	6.0
70.07362	0.8
71.04967	1.7
74.67706	0.7
75.49382	0.7
79.05487	7.9
80.05821	0.8
81.03436	1.4
81.07050	26.8
83.01337	18.5
83.04964	4.3
83.08603	1.7
85.02888	0.8
85.06522	1.1
91.05468	17.8
93.07038	8.5
95.04953	3.1
95.08607	5.0
97.06528	6.3
99.08087	2.5
103.05458	19.2
105.03365	2.1
105.07023	6.9
106.07359	0.8
107.04937	2.2
107.08564	2.7
109.06518	9.6
109.10146	1.2
111.04442	1.9
111.08066	1.3
113.05992	1.3
115.05441	5.2
117.06995	2.1
119.08549	3.7
121.06512	2.4
121.10108	1.8
123.08080	1.5
124.35782	0.7
125.05967	7.9
127.07542	21.1
129.07005	2.2
129.09102	5.0
130.99774	0.9
131.04913	98.3
131.08572	2.5
132.05276	0.8
133.10103	3.2
134.10434	1.0
135.04346	1.1
135.11728	1.1
137.09648	0.8
141.05426	1.8
141.06972	2.6
145.10104	1.9
147.11661	1.7
149.05951	6.7
151.07538	8.4
152.04671	3.5
153.05460	5.8
155.04948	2.1
157.06490	1.1
157.10147	1.0
159.11688	1.1
163.11172	1.0
167.03416	1.6
167.07036	3.5
169.04962	1.0
169.08588	27.9
173.05917	1.1
177.05446	5.9
178.07784	1.9
179.14377	0.8
179.85815	0.7
183.06505	2.0
185.04437	45.9
191.08528	10.9
193.10117	8.5
195.06511	97.8
196.06743	1.2
197.06067	1.1
197.08064	2.9
199.03926	1.1
201.38808	0.7
205.10078	4.0
213.07553	45.0
215.08679	1.3
215.10620	1.0
217.04941	17.6
219.08022	23.0
221.08125	3.4
222.88863	0.8
225.05447	2.1
229.08441	1.4
231.06537	3.8
233.09573	2.9
251.10539	0.8
257.11801	1.4
261.09201	2.8
271.09637	25.9
273.18405	1.4
275.19955	4.6
276.20346	2.3
277.20886	0.8
291.19562	0.9
297.11249	1.1
299.12747	100.0
300.13019	2.3
301.08807	1.5
303.10181	2.1
313.10696	2.8
319.09619	1.4
345.13318	8.3
347.09158	1.8
359.12949	1.0
373.14542	1.0
383.12524	1.2
387.15970	4.3
401.13577	3.8
408.91650	0.9
417.16757	1.2
429.16605	2.2
443.14877	2.1
479.14813	1.3
497.16129	4.4
515.16840	2.1
551.20764	2.2
569.21704	2.8
593.21777	1.0
611.22815	6.2
625.43610	1.6
643.25262	7.7
643.45264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.03937	1.1
55.01864	1.3
55.05511	3.4
57.03424	1.2
57.07058	0.8
65.03935	0.9
67.05497	5.8
68.99773	5.5
69.03407	1.8
69.07050	2.6
70.39489	2.6
71.04981	0.9
79.05476	7.6
81.03394	1.7
81.07047	27.7
82.07395	0.6
83.01333	16.9
83.04972	3.9
83.08601	1.8
85.02891	0.7
85.06558	0.8
87.08110	0.7
91.05470	17.8
93.07032	6.0
95.04942	2.9
95.08595	4.6
95.24440	0.6
97.06515	3.1
97.10149	1.6
99.04416	0.7
99.08088	1.4
103.05454	17.2
105.03385	1.5
105.07016	7.8
107.04937	1.3
107.08595	3.8
109.06499	9.1
109.10135	1.6
111.04430	2.2
111.08070	0.7
113.06013	1.0
114.52377	0.6
115.05424	6.9
117.06986	2.0
119.08561	3.5
121.06508	1.7
121.10140	1.6
123.08044	2.4
123.11655	0.7
125.05968	7.5
125.09577	0.7
127.07544	19.3
129.06985	2.2
129.09099	3.6
131.04913	88.8
131.08568	2.1
133.10126	2.2
135.08092	1.1
135.11693	1.7
141.05475	2.0
141.06926	0.9
143.08582	0.7
145.10135	1.7
147.08043	0.7
147.11688	2.7
149.05975	6.9
151.07526	6.5
151.11134	0.6
152.04649	5.4
153.05446	6.2
155.04898	2.0
157.04945	1.2
157.10063	0.8
159.11696	1.1
161.13249	1.1
165.05464	0.9
165.06929	0.9
167.03479	1.4
167.07022	3.4
167.08287	0.8
169.05049	1.3
169.08585	27.1
173.06104	1.0
173.13266	1.1
175.03865	1.2
177.05470	6.1
178.07843	1.3
181.06491	0.6
183.06490	2.3
183.11667	0.8
185.04440	48.0
186.04723	1.0
190.07799	1.3
191.08540	10.8
193.10120	8.3
195.06512	92.5
196.06853	1.3
197.06313	0.8
197.08084	2.8
197.13307	0.8
199.14725	0.6
203.08604	1.0
205.10112	2.7
213.07559	46.3
214.07852	0.7
215.08601	1.5
215.10683	1.0
217.04932	15.5
217.06950	1.1
219.08031	21.2
221.08047	1.7
225.05449	1.9
225.41991	0.6
227.12904	0.7
231.06464	2.2
233.09586	2.1
239.10611	0.9
239.17865	0.7
241.19516	0.8
243.06297	0.9
257.11703	2.4
259.20544	1.4
261.09052	3.0
271.09619	26.5
273.18219	0.6
275.20093	2.3
284.10440	0.7
285.09116	0.9
291.19586	1.4
293.21069	0.9
297.11377	0.6
299.12750	100.0
300.13129	1.2
301.08517	1.4
301.14172	1.4
303.10114	1.4
313.10718	2.6
333.24039	1.0
339.13904	0.9
345.13367	7.3
347.09119	2.5
355.13287	1.3
359.12698	1.2
371.12805	0.8
373.14160	1.0
383.12637	1.0
387.15887	5.9
401.13333	3.0
417.16910	1.4
427.15292	1.2
429.17194	1.6
443.14850	0.9
453.16864	1.1
479.15005	1.0
497.16092	3.5
515.16656	2.0
534.19031	0.7
542.24298	0.7
551.20349	1.6
569.21991	4.1
593.21814	0.8
607.43115	0.7
611.22827	8.5
625.44409	2.2
643.25012	4.2
643.44904	1.6
652.42194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40837	0.6
53.03939	0.9
55.05509	0.8
65.03934	0.7
67.01871	4.2
67.05492	2.0
68.99766	0.9
69.03433	0.7
69.07076	0.8
70.87689	2.3
77.03927	0.7
79.05505	3.8
81.07053	26.6
83.00864	1.1
83.01334	13.8
83.04960	3.2
90.86671	0.6
91.05473	4.6
93.07026	2.2
95.04953	1.4
95.08578	1.0
96.87841	0.6
97.06516	2.2
99.08090	1.4
103.05462	20.9
105.06998	1.3
107.04958	0.7
109.06512	6.9
109.10146	0.7
111.04408	1.7
115.05449	0.7
119.04917	0.7
119.08592	0.9
121.06524	0.8
125.05994	6.9
127.07553	15.5
129.07007	0.8
131.04922	43.1
137.05951	1.9
149.05984	3.6
151.07550	1.3
152.04701	3.4
153.05452	4.5
165.05424	1.4
167.07013	2.8
169.08618	4.0
177.05464	4.9
183.06516	34.9
185.04477	11.0
191.08545	1.6
193.10143	1.5
195.06520	94.8
197.06204	0.9
197.08076	20.2
213.07571	29.9
219.08038	7.9
235.11038	1.0
257.11737	1.7
261.09189	1.3
271.09647	4.2
281.12064	0.9
288.82129	0.7
299.12766	100.0
300.13235	2.3
325.10455	1.0
387.15781	4.2
399.44394	0.7
429.16998	6.0
429.47522	0.7
611.22314	2.2
643.25476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80139	0.9
53.03939	1.5
53.22255	1.1
54.80342	1.1
67.01858	4.5
67.05494	1.7
68.99784	2.7
70.67258	1.1
70.67622	3.8
79.05493	4.9
81.03394	1.4
81.07055	25.9
83.01329	13.0
84.40190	1.0
91.05492	5.5
93.07019	1.4
95.04956	3.4
97.06522	1.9
97.10081	1.1
103.05463	26.9
105.03400	2.1
105.07021	1.8
109.06517	8.1
111.04450	1.2
113.06036	1.1
115.05466	2.3
125.05998	5.6
127.07541	16.0
129.07002	2.2
131.04918	67.8
132.05225	1.3
137.05969	1.7
149.05995	5.8
151.07538	1.5
152.04674	4.3
153.05437	4.9
155.83603	1.1
157.06433	1.1
161.09615	1.9
165.05501	1.8
167.03387	1.7
167.07010	2.9
168.61234	1.2
169.08627	4.4
177.05467	4.7
183.06528	28.5
185.04440	47.8
191.08566	3.2
193.10167	3.3
195.06519	100.0
196.06839	1.9
197.08063	18.6
213.07565	28.5
214.09888	1.4
219.08023	11.3
221.44295	1.3
225.05484	2.3
235.11211	1.9
257.08081	1.9
257.11719	5.6
261.09079	1.9
271.09653	19.6
279.10199	1.7
295.09271	1.3
299.12759	98.4
300.13235	3.7
313.10516	2.8
325.10684	1.6
345.13412	3.4
355.11890	2.1
387.16016	8.7
411.15833	1.5
429.17053	7.2
478.75909	1.3
544.55304	1.2
569.20953	1.4
611.22314	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	643.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.0
79.05464	1.2
81.07048	1.9
91.05498	0.8
93.07050	1.3
95.08611	1.9
98.20716	2.9
121.10131	0.8
155.06552	0.8
163.42549	0.8
179.14301	1.5
284.72342	0.9
643.25208	100.0
644.25592	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	643.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01851	1.5
56.99642	0.9
67.05492	1.9
68.99784	4.6
79.05476	1.8
81.03428	2.4
81.07058	11.6
83.01350	8.3
83.04964	2.1
91.05474	6.3
92.24357	0.9
93.07048	1.3
95.04973	1.7
95.08586	1.1
97.06537	1.1
98.21500	1.7
103.05458	7.1
105.03307	1.3
105.07013	4.3
109.06493	3.8
111.04399	1.4
113.06038	1.2
115.05442	2.5
125.05980	2.5
127.07563	9.0
129.06949	1.4
131.04924	23.2
137.73315	0.9
149.05965	3.1
151.07463	2.1
152.04637	2.1
153.05437	3.0
167.03418	2.3
167.07014	1.4
169.08624	8.2
177.05414	1.9
178.07803	1.0
183.06551	3.8
185.04445	100.0
186.04797	1.4
191.08549	3.2
193.10170	4.5
195.06522	54.3
197.08052	3.1
211.90524	0.9
213.07564	14.8
219.08044	10.4
229.08679	0.9
239.10664	1.3
257.11749	4.1
261.09094	1.4
271.09619	40.4
272.09903	1.4
281.11740	0.9
299.12762	47.6
300.12991	2.4
313.10669	8.7
325.10492	1.4
327.12012	1.0
331.11575	1.9
345.13223	3.5
387.15930	11.8
401.13754	1.4
429.16940	5.4
569.21680	2.5
611.22626	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1497
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
52.22649	0.3
54.02039	0.2
57.03424	0.3
61.02919	4.0
62.82570	0.2
64.34734	0.2
68.99761	0.9
69.03412	0.8
71.63758	0.4
73.02896	1.1
77.73854	0.2
81.03410	0.3
85.02897	4.0
85.45432	0.2
91.03958	1.8
97.02876	2.4
99.04388	0.3
109.02853	0.9
111.00797	1.6
111.04368	0.3
127.03899	1.2
137.02298	1.3
139.03870	0.9
145.04913	0.6
147.04340	0.3
151.03873	0.3
153.01814	8.1
165.01816	3.4
166.02556	0.5
166.54745	0.3
179.03349	1.0
183.02855	0.9
189.05458	0.6
195.02820	0.4
203.03197	0.3
217.04945	2.3
227.03304	0.4
229.05046	0.3
235.05988	0.3
245.04448	4.0
249.33536	0.3
255.02870	0.4
263.05423	0.5
273.03894	3.4
290.04156	1.2
301.03418	0.9
318.02380	0.2
319.04446	100.0
320.04745	1.0
481.09726	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	643.1498
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
57.03423	0.7
61.02623	0.5
61.02922	7.7
68.99766	0.7
69.03420	1.7
70.81696	0.6
70.82056	0.8
71.05017	0.3
73.02906	2.5
81.03394	0.8
85.02393	0.5
85.02899	9.1
91.03446	0.5
91.03952	6.2
92.53863	0.3
95.59563	0.3
97.02885	4.8
99.04463	0.4
109.02850	1.3
110.88664	0.3
111.00790	2.4
112.94679	0.3
117.05419	0.3
126.10062	0.3
127.03900	3.2
137.02258	1.5
139.31319	0.3
145.04987	2.3
153.01807	8.9
161.05742	0.3
163.06076	1.8
165.01836	3.1
179.03326	1.0
181.06491	0.3
183.02827	1.0
189.05452	0.9
195.02911	0.5
199.03777	0.3
203.03351	0.5
209.04221	0.3
217.04979	2.8
231.02928	0.5
240.14268	0.3
245.04417	4.4
247.75159	0.3
255.03044	0.8
263.05414	0.6
273.03964	4.8
290.04089	1.1
301.03406	1.2
319.04459	100.0
320.04880	1.1
331.04327	1.6
343.04529	1.0
361.05539	2.1
385.05347	2.0
397.05270	0.5
427.06641	0.5
445.07721	0.8
463.08926	0.4
481.09851	3.8
519.66284	0.4
600.07611	0.4
608.91083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.15
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
53.03919	0.5
55.01865	0.5
57.03428	1.3
61.02618	0.4
61.02917	5.6
68.99781	0.8
69.03418	5.0
69.54785	2.1
71.04996	0.2
73.02901	1.8
81.03397	1.6
83.01334	0.2
85.02894	14.4
87.04443	0.6
91.03951	2.9
91.05479	0.3
97.02877	5.1
99.04446	0.6
99.52660	0.2
101.02346	0.2
103.03918	0.2
109.02876	1.7
111.00771	1.8
111.04432	0.3
115.03930	0.3
125.02321	0.2
127.03916	3.4
137.02341	1.7
139.03897	0.6
145.04935	2.5
147.04395	0.3
153.01807	8.5
153.05437	0.3
161.05913	0.3
163.05977	0.5
165.01794	2.5
166.02596	0.5
179.03366	1.2
183.02892	0.9
189.05414	0.6
195.02853	0.7
199.03951	0.3
202.52901	0.2
203.03384	0.4
207.02821	0.3
217.04941	2.7
227.03413	0.3
229.05051	0.3
231.02733	0.4
235.02234	0.3
235.05939	0.5
245.04456	4.9
255.02782	0.5
259.64963	0.2
263.05515	0.8
273.03885	4.1
290.04190	1.3
291.04849	0.4
301.03421	1.3
301.11795	0.3
318.03680	0.6
319.04446	100.0
320.04758	1.2
331.04385	0.3
343.04449	0.7
361.05536	1.0
481.09836	6.0
593.44568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35683	2.6
55.01847	4.0
55.05511	13.5
57.07068	29.3
67.05495	37.9
68.55109	2.5
69.07062	14.5
71.08612	22.3
71.33247	6.7
79.05460	15.7
80.65102	2.7
81.07046	34.6
82.01398	2.7
83.04978	8.6
83.08607	12.3
85.10184	10.5
91.05463	13.9
93.07035	21.5
95.04950	8.4
95.08613	24.6
97.06531	3.0
97.10154	4.8
99.08086	3.9
105.07020	11.2
107.08598	10.4
107.79726	2.7
109.10153	10.4
117.06994	5.5
119.08563	5.0
121.10164	5.0
123.11676	5.7
131.08612	3.0
133.10114	4.7
147.55533	2.9
149.13242	5.8
151.11201	5.3
163.11163	4.3
195.13634	3.1
226.21878	3.1
239.23691	5.4
269.17459	10.9
277.21548	7.7
313.27292	21.9
351.25369	9.5
507.40390	100.0
509.14627	3.1
560.46338	3.0
589.48218	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	642.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01870	1.9
55.05505	7.4
57.03416	3.0
57.07071	0.8
61.02917	2.9
66.53252	0.8
67.05500	19.5
69.03416	2.2
69.07068	7.0
71.04975	1.7
79.05487	18.0
80.05804	1.1
81.03404	2.3
81.07050	26.0
83.01334	3.4
83.04957	2.7
83.08601	3.9
84.60345	0.9
85.02884	2.3
85.06553	1.8
87.02238	0.7
91.03934	1.6
91.05474	22.9
93.07034	17.2
95.04942	3.5
95.08593	14.8
97.06509	4.8
97.10166	2.5
97.25085	0.8
99.04456	1.1
103.04053	0.8
103.05428	1.4
105.07022	24.4
107.04935	3.7
107.08586	9.1
109.06522	4.3
109.10143	5.7
117.07003	11.5
119.04903	1.0
119.08572	13.8
121.06491	1.9
121.10115	5.6
123.08041	1.7
125.05994	1.2
125.09571	1.1
127.07547	3.8
128.06215	1.2
129.06987	6.9
131.04924	4.7
131.08548	17.1
133.06555	0.9
133.10106	9.8
135.08081	2.1
135.11682	2.6
137.09660	1.8
139.07549	0.9
141.06953	2.5
143.08556	6.2
145.06493	1.8
145.10127	11.8
145.45465	0.9
146.10480	1.1
147.08009	2.0
147.11674	3.7
149.09618	2.6
149.13271	0.9
153.05435	1.2
155.08543	4.7
157.10095	5.5
159.07954	1.1
159.11681	5.0
161.13316	1.4
163.11133	1.6
167.07004	1.1
167.08533	2.1
169.08693	1.1
169.10114	3.3
171.11650	5.0
173.13248	2.6
175.11226	0.9
175.14844	1.4
181.10068	1.9
183.11703	2.7
185.04439	10.6
185.13243	1.8
187.14850	1.5
191.08543	1.0
195.06500	21.2
195.11693	1.7
197.13319	2.0
199.14798	1.4
209.13214	1.4
211.14799	1.4
213.07568	7.4
219.08022	1.3
219.13828	0.8
223.14806	1.2
223.72978	0.8
225.16443	1.3
230.65471	0.9
239.17847	1.1
243.17450	0.9
247.16971	1.6
259.16949	0.9
259.21002	0.8
261.18527	1.1
271.09760	5.1
275.20062	4.3
276.20407	2.8
287.20010	1.0
299.12762	25.5
300.13135	1.2
325.25143	1.6
335.23895	1.5
343.26059	1.8
349.23782	1.4
350.24063	1.6
353.24631	4.9
371.25842	6.5
387.15903	1.5
389.26877	6.3
445.29471	100.0
446.29691	5.6
463.30548	21.6
607.34564	1.0
622.26428	0.9
624.42542	1.0
642.44214	1.6
657.60394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01857	1.0
55.05289	0.6
55.05509	6.6
55.31682	0.6
57.03407	1.9
61.02915	2.1
65.03906	0.9
67.05503	14.6
69.03419	1.3
69.07066	4.3
71.04970	0.8
71.70177	1.0
79.05488	12.5
81.03385	1.0
81.07050	16.8
83.04977	1.3
83.08611	3.5
85.02889	2.1
85.06519	1.4
91.03937	1.6
91.05478	16.3
93.07043	14.0
95.04958	3.0
95.08598	10.3
97.02914	1.4
97.06533	1.7
97.10173	1.9
103.05425	1.0
105.07025	19.1
107.04941	1.8
107.08594	7.2
108.65022	0.6
109.06511	2.1
109.10138	5.3
111.08075	1.6
115.05470	0.8
117.07016	9.5
119.08575	12.7
121.06511	2.3
121.10158	4.7
123.08069	1.2
123.11688	0.8
125.09552	0.9
128.06242	1.1
128.84248	0.7
129.06999	6.8
131.08568	17.1
133.06512	1.7
133.10132	7.6
135.08066	1.9
135.11681	2.1
137.09663	1.6
141.06998	3.1
143.08554	6.4
145.06474	1.0
145.10127	9.8
147.08000	1.7
147.11676	2.1
151.11171	0.8
155.08530	4.4
157.10156	3.8
159.11696	4.6
161.09639	1.3
161.13284	1.3
167.08531	1.7
169.10130	3.2
171.11734	2.8
173.13223	2.2
175.11133	1.0
177.12856	0.8
181.10152	1.8
183.11749	1.9
185.13258	2.7
187.14839	1.1
187.74147	0.7
195.11700	2.0
197.13240	2.3
199.14793	0.8
201.12630	0.8
211.14751	1.4
215.14384	1.3
241.15854	0.9
247.16957	1.3
259.16855	0.9
271.16882	0.8
271.23141	0.6
275.20084	0.9
278.63754	0.7
303.65704	0.7
325.25302	0.9
326.28671	0.7
335.23776	1.4
343.26309	2.1
348.63000	0.8
353.24829	4.8
371.25833	4.9
389.26962	6.3
427.28125	1.0
445.29489	100.0
446.29956	2.5
463.30554	27.3
551.22839	0.8
587.55054	0.8
642.29553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
56.30058	0.5
57.03433	5.4
59.04997	1.0
60.04515	1.3
61.02929	1.0
64.35878	0.5
65.03922	0.5
67.77729	0.5
69.03420	23.2
70.31682	2.4
73.02916	0.7
75.04462	1.7
79.05488	1.6
81.03394	2.0
81.07043	1.7
85.02898	18.5
86.09704	0.9
87.03958	0.9
87.04459	13.2
91.05463	2.3
93.07014	0.7
94.04172	1.5
95.04957	1.0
97.02245	1.0
97.02881	19.7
99.04440	0.9
103.05438	1.5
105.07011	1.6
107.04939	55.9
109.02854	1.3
109.06498	2.8
111.04433	0.9
115.03918	20.8
117.07010	1.5
119.04914	0.9
119.08579	0.9
121.06487	4.2
121.10167	0.8
122.03638	3.5
123.04434	1.2
127.03876	1.8
128.06174	0.7
131.04936	4.4
131.08527	1.2
133.04950	15.7
133.06458	8.8
137.05960	100.0
138.06334	1.3
139.03894	7.5
140.04279	0.6
145.04942	2.5
145.06483	4.6
147.04413	0.6
147.08029	9.7
149.05943	1.4
150.07611	5.2
151.07527	1.9
157.06462	1.5
159.08012	1.9
159.11755	0.8
161.05956	3.7
163.03859	1.0
163.07458	2.7
165.05447	0.6
167.07034	4.6
169.04971	0.7
171.07951	1.0
173.05962	2.0
173.09572	1.0
173.20467	0.6
175.07516	0.9
177.09093	3.6
181.05023	3.0
184.07289	1.0
185.09625	0.9
187.07545	1.0
187.11169	12.8
189.12723	14.1
191.07002	1.4
191.10645	1.0
201.09111	0.7
203.07028	1.7
203.10658	0.6
205.07043	0.6
211.07652	0.6
213.12759	1.2
217.12242	1.7
219.13792	3.5
233.08099	0.6
241.06955	0.8
259.08206	0.7
277.09058	0.8
281.15500	1.1
289.07065	1.0
295.10260	1.6
295.16962	0.9
313.17935	52.7
314.18176	1.3
337.14142	1.0
337.17953	12.4
379.18942	4.0
385.12781	1.2
387.13895	0.5
391.18915	4.2
409.20166	1.4
643.23676	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55167	1.2
55.05481	1.0
56.79392	1.0
62.43374	1.0
63.04269	1.1
65.56818	1.0
66.20360	1.0
67.05489	4.5
69.07055	2.4
71.71615	1.7
79.05476	4.7
81.03410	1.5
81.07050	15.8
82.08186	1.1
83.01327	13.4
83.04971	3.3
91.05484	9.9
93.07009	3.9
95.04948	1.3
95.08585	3.3
95.70692	1.3
97.06522	1.9
97.96447	1.1
103.05457	3.0
105.07005	3.1
107.08566	1.5
109.06507	7.0
111.04395	1.9
115.05453	1.9
116.82870	1.1
121.06476	1.0
121.10115	1.2
125.06013	5.9
127.07548	15.0
131.04913	6.5
131.60893	1.4
133.10144	2.7
136.05481	1.1
149.05936	5.2
151.07487	2.4
152.04677	4.1
153.05463	3.1
157.06465	1.1
167.07007	2.5
169.08611	9.0
177.05458	4.5
177.73213	1.1
183.06491	1.8
191.08519	2.5
193.10121	2.1
195.06516	87.0
213.07581	35.5
213.09674	1.5
213.63609	1.1
219.08031	9.1
235.81766	1.2
243.17906	1.0
257.11652	1.7
275.20093	2.5
276.20361	2.6
297.11221	1.4
299.12756	100.0
300.13083	3.2
321.11404	1.7
387.15979	4.0
429.16953	8.2
510.43283	1.3
579.23566	3.2
597.24731	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	641.1497
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
51.42575	0.5
55.01838	0.7
55.05496	0.4
55.07795	0.4
56.80317	0.4
59.41463	0.4
63.02369	0.9
68.99786	0.7
69.03418	1.1
69.44360	5.2
76.87271	0.5
79.05463	0.7
81.03418	1.1
83.04980	0.5
85.02885	2.0
85.59072	0.5
89.03903	6.2
91.03944	0.5
91.05457	0.9
93.06996	0.9
95.04994	1.1
97.02851	1.1
98.20693	0.6
100.58076	0.5
103.05426	0.6
107.04943	1.0
109.02910	1.2
111.04415	1.1
117.03370	18.3
118.78024	0.5
127.03879	0.7
128.68489	0.4
129.06990	0.7
131.04930	0.8
134.03584	1.7
135.04387	1.0
137.02306	1.5
137.05960	1.2
137.72047	0.5
139.03882	3.2
145.02834	51.9
147.04390	1.5
149.05969	7.2
151.03896	1.8
153.01787	1.4
155.04926	0.6
161.05962	1.1
163.03856	1.3
167.06967	0.5
175.07486	0.6
177.05453	100.0
181.04897	0.8
183.04475	0.5
186.05472	2.4
187.07523	0.9
189.05482	0.6
191.03340	0.7
195.06525	1.7
197.06059	0.8
199.07574	0.8
201.05455	0.8
203.07011	0.8
205.04947	2.4
210.14906	0.5
215.07045	1.2
220.81226	0.5
229.05052	1.2
231.06474	2.0
233.07956	2.9
243.06462	3.7
245.08005	0.8
255.06596	0.5
257.04431	1.2
259.09613	1.3
261.07550	7.7
273.07614	1.3
285.07428	1.1
289.07147	0.7
291.08597	1.3
303.05008	27.6
303.08524	3.4
321.09683	12.7
339.10730	6.8
362.68640	0.6
411.10651	1.8
641.23334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.3
55.01863	17.9
55.05506	25.7
57.03441	4.4
57.07078	2.3
65.03939	3.2
67.05495	41.7
69.03413	6.6
69.07056	47.9
69.44519	17.2
79.05481	45.2
81.03410	9.7
81.07047	52.7
83.04980	8.4
83.08602	10.5
85.02914	1.9
85.06534	1.8
91.05469	55.3
93.07031	39.0
95.01304	9.7
95.04958	14.7
95.08591	36.6
97.02899	7.2
97.06516	31.0
97.10148	9.0
99.08097	2.0
103.05483	3.9
105.04510	2.2
105.07018	52.5
107.04937	23.7
107.08575	16.7
109.06542	9.1
109.10123	10.8
110.39846	1.7
111.04446	2.2
111.08092	2.0
113.06099	1.6
113.07231	1.7
114.49146	2.0
115.05470	2.4
117.07026	17.5
119.08566	32.7
121.06516	6.6
121.10130	8.5
123.04386	3.2
123.08072	6.0
123.11733	2.9
125.09646	6.8
125.63557	2.3
129.07025	6.6
130.79916	1.8
131.08545	24.6
133.06522	5.3
133.10121	30.9
133.11043	2.7
135.08044	4.7
135.11667	8.7
137.09618	5.8
143.08565	5.3
145.06532	3.0
145.10114	16.3
147.08119	6.8
147.11670	11.9
149.09628	5.8
149.13278	6.2
151.11176	2.7
157.10167	4.1
158.62247	2.2
159.11703	9.1
161.09682	5.4
161.13249	4.4
163.11220	4.0
165.09148	3.2
169.10077	4.5
171.11729	2.8
173.13300	2.5
175.11201	4.6
177.12753	2.6
179.14220	11.0
183.11746	4.0
185.13417	1.9
187.57556	1.9
189.11191	2.0
195.13779	2.2
197.13257	2.2
219.17468	3.8
223.13176	9.4
227.12857	5.8
232.30507	2.1
241.14232	2.0
245.19058	1.9
247.20486	2.6
249.14935	2.9
257.19067	8.2
273.18420	17.9
273.70557	2.0
275.20038	68.7
275.93820	1.7
279.16055	2.7
291.19489	60.1
293.21225	4.4
347.22479	5.0
349.23758	3.8
365.23444	2.0
392.24481	2.3
427.10300	2.3
466.30890	1.8
537.34900	2.2
621.41425	7.2
639.42676	100.0
640.43402	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	639.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.4
53.03939	13.4
53.73850	1.6
55.01864	16.2
55.05249	2.1
55.05503	33.2
57.03432	14.0
57.07067	3.0
59.04987	2.9
61.02894	1.9
65.03939	4.5
67.05499	100.0
68.05849	1.8
69.03420	35.4
69.07059	23.7
71.01336	4.9
71.04993	19.5
71.31342	3.7
73.02911	3.0
77.89424	1.8
79.05042	2.8
79.05488	55.3
81.03412	83.2
81.07051	90.5
81.23537	2.2
83.01363	2.6
83.04979	20.6
83.08609	20.8
85.02894	18.9
85.06528	7.1
87.04444	4.0
91.05474	49.5
93.07033	55.6
95.04954	19.0
95.08597	34.5
97.02887	29.2
97.06524	15.3
97.10147	14.0
99.04453	12.5
99.08067	2.7
101.02378	2.5
103.03966	2.2
103.05437	2.0
105.04484	4.0
105.07027	27.4
107.04939	16.2
107.08578	35.5
109.02869	24.5
109.06487	7.1
109.10151	25.1
111.04443	12.8
111.08064	9.0
115.05396	2.3
117.07011	15.4
119.08585	20.2
121.06472	9.2
121.10139	22.2
123.04424	3.6
123.08053	4.0
123.11687	6.9
125.05935	2.4
125.09627	11.4
127.03905	16.0
128.06184	1.9
129.05463	3.0
129.06976	6.6
131.04913	2.2
131.08566	15.5
133.06468	2.5
133.10100	14.7
135.04416	3.2
135.08052	6.2
135.11696	16.7
137.09593	3.6
143.08546	2.5
143.10674	1.8
145.06433	2.2
145.10109	10.7
146.39659	1.8
147.07997	2.7
147.11685	9.8
149.05919	2.4
149.09590	4.1
149.13260	16.3
151.11177	3.2
153.05511	1.7
153.12704	7.4
155.08549	1.7
157.10130	4.0
159.11644	11.9
161.09679	3.3
163.11174	13.0
163.56639	1.6
165.12758	4.2
171.06525	1.7
171.07997	1.7
171.11621	4.0
173.04456	33.0
173.05879	1.3
173.09613	3.4
173.11743	4.4
173.13191	2.2
175.11137	3.4
177.12756	4.4
179.14204	1.8
181.12212	4.8
183.06483	4.3
183.11861	2.0
185.13297	2.7
187.13234	1.9
189.11241	4.2
191.10632	8.6
193.12227	4.5
195.13814	13.8
197.13193	1.9
209.11731	16.4
211.13226	2.7
213.14775	3.0
225.11137	2.5
227.12782	15.7
229.14352	4.5
253.18045	2.5
261.14902	3.3
265.14319	2.6
267.15915	7.7
269.17514	11.4
281.14194	2.0
283.15350	7.2
285.17081	1.9
291.19226	1.9
339.18036	3.8
353.15918	4.6
367.17923	2.0
371.17264	2.6
403.24466	2.0
409.18518	3.9
423.27365	11.6
427.19666	3.1
437.29141	3.0
449.29285	2.4
453.28543	3.0
459.27335	4.0
465.09122	2.0
477.28305	15.7
495.29340	5.5
574.06049	2.1
605.77374	2.0
621.32587	12.9
639.33551	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	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74382	0.4
53.03941	5.8
55.01866	5.8
55.05506	17.5
57.03164	0.8
57.03431	10.1
57.07069	0.8
57.80128	0.5
59.04998	0.9
65.03933	1.5
66.41734	0.4
67.05500	24.4
69.03423	13.5
69.07063	7.0
69.37535	4.7
71.01343	1.1
71.04990	6.5
71.05371	0.4
71.13517	0.4
73.02911	1.0
79.05486	27.4
81.03410	100.0
81.07048	29.4
82.03723	0.6
83.04972	19.8
83.08612	21.5
84.08906	0.4
85.02898	21.8
85.06536	2.1
87.04453	0.9
89.25740	0.6
91.05472	32.6
92.05807	0.6
93.07034	18.2
95.04961	27.9
95.08598	10.6
97.02879	14.1
97.06524	5.6
97.10152	5.0
97.10744	0.6
98.21447	1.2
99.04455	4.2
99.08078	1.4
101.02378	0.5
101.05979	0.5
103.03963	0.9
103.05461	0.7
105.03445	0.4
105.07021	24.0
107.04951	7.9
107.08588	9.2
109.02867	17.4
109.06518	5.5
109.10143	3.6
111.03662	0.7
111.04432	13.3
111.05167	0.8
111.08071	10.3
113.06010	2.1
115.05457	1.7
116.06208	0.5
117.07016	3.7
119.04942	1.5
119.08570	18.9
119.09425	1.0
120.08932	0.7
121.06488	3.3
121.10136	10.5
123.04429	1.7
123.08030	2.8
123.11697	2.5
125.06007	0.9
125.09638	3.1
127.03899	8.9
127.07594	0.5
128.06233	1.0
129.05464	2.0
129.06993	11.8
131.04883	0.9
131.07658	0.8
131.08566	10.4
133.06491	4.2
133.10117	10.0
135.04410	0.9
135.08047	2.0
135.11674	2.9
137.05994	1.9
137.09616	1.6
139.03906	0.8
141.06979	0.9
142.07787	3.4
143.08557	1.6
145.04927	0.5
145.06479	1.6
145.10110	3.7
147.04391	0.9
147.08058	3.9
147.11678	17.0
148.11945	0.4
149.05968	1.4
149.09596	6.2
149.20558	0.4
151.11176	1.1
153.09123	0.6
153.12740	2.3
155.08563	1.2
157.06505	0.6
157.10104	12.6
159.06784	0.4
159.08093	0.9
159.11670	0.9
161.05936	0.9
161.09627	0.8
163.07547	0.6
163.11156	5.0
164.11581	0.4
165.12740	5.2
167.06970	0.6
167.08549	0.4
171.08041	0.7
171.11642	0.7
173.04437	1.8
173.05901	0.8
173.09590	1.6
175.07414	0.4
175.11174	13.5
181.12196	3.6
183.06587	0.8
183.11707	0.6
185.13397	0.5
187.11166	0.6
189.11226	2.0
189.12755	1.1
191.10718	3.4
193.12227	46.0
194.12547	0.8
195.11830	0.5
195.13747	0.6
199.11185	0.6
205.12337	0.8
207.13776	0.5
209.09711	0.5
209.11716	1.2
211.13274	67.5
212.13702	2.2
213.12773	0.5
213.14908	0.8
217.12315	1.1
227.12720	7.2
229.14215	2.3
230.99573	0.5
233.15298	0.9
235.13310	1.9
249.14891	2.4
255.13756	0.8
259.13028	0.7
265.14441	0.6
267.15881	19.7
268.16492	0.5
273.14841	3.2
277.14294	1.2
283.15421	1.9
285.16962	12.7
286.17267	0.6
289.14227	1.0
301.14264	4.1
303.15823	0.6
309.16901	1.3
319.15448	2.5
337.16406	3.7
349.21573	0.6
351.17896	1.1
355.17517	5.5
357.24149	0.6
367.22726	1.6
375.17941	1.3
385.23657	2.9
393.19019	2.4
403.24814	1.3
411.20029	6.4
429.21249	2.2
459.27426	7.5
477.28519	9.1
478.28708	0.6
495.29474	13.5
496.29773	0.7
501.28082	0.9
511.29083	1.2
519.29572	1.0
561.30365	0.8
567.29065	0.8
573.30731	0.7
585.30585	2.3
603.31305	2.1
621.32788	7.6
622.32343	0.5
639.33667	35.5
640.34039	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72189	1.2
53.03947	7.0
53.85442	1.1
55.01864	5.5
55.05508	18.1
57.03433	11.0
65.03934	2.1
67.05499	26.9
69.03420	15.3
69.03752	2.1
69.07062	6.2
69.67756	3.9
69.68189	5.4
71.01316	1.3
71.04979	7.1
73.65295	1.1
79.05484	25.6
81.03410	100.0
81.07048	28.3
83.04517	2.2
83.04972	22.4
83.08614	21.8
85.02897	22.8
91.04931	2.3
91.05473	31.4
93.07037	19.5
95.04964	30.1
95.08591	8.3
97.02895	15.3
97.06519	6.3
97.10157	6.0
99.04456	5.5
99.08094	1.4
105.07020	22.2
107.04938	8.4
107.08585	10.1
109.02871	18.2
109.06506	4.9
109.10175	3.1
111.04439	13.8
111.08077	10.5
113.02331	1.3
113.06010	1.8
115.05476	2.1
117.07018	5.0
119.04950	1.5
119.08576	18.3
121.06486	4.4
121.10139	9.0
123.04427	2.5
123.08105	1.7
123.11705	3.3
125.09618	3.1
127.03904	10.1
129.05486	1.6
129.06992	10.6
131.04880	1.4
131.08557	9.8
133.06470	4.3
133.10117	10.1
135.08044	2.9
135.11697	2.6
137.05948	1.7
137.09619	2.3
142.07771	2.0
143.08531	1.7
145.10143	4.2
147.04437	1.6
147.08066	4.3
147.11690	14.9
149.06059	1.6
149.09656	6.8
151.92126	1.2
153.12715	2.1
157.10135	13.1
163.11192	4.6
165.12755	6.6
171.11739	1.9
173.04416	1.7
173.09686	1.9
175.11165	17.5
181.12224	4.7
189.11243	1.9
191.10733	4.5
193.12236	46.1
197.75488	1.2
209.11766	2.2
211.13280	83.6
212.65891	1.1
227.12779	6.9
229.14291	2.1
235.13353	2.1
249.14720	2.0
267.15909	21.2
273.14929	2.9
277.14346	1.7
283.15625	2.6
285.16937	14.5
289.14368	1.5
301.14185	5.7
313.16702	1.8
319.15335	2.7
337.16528	4.1
339.23404	1.4
355.17456	8.8
385.23837	4.4
393.19247	3.7
403.24698	2.9
411.20233	6.1
429.21060	3.2
459.27423	8.3
477.28339	12.9
495.29529	16.0
496.29858	1.5
498.22321	1.5
511.28922	2.1
519.29712	1.4
585.30725	2.1
603.31586	2.8
621.32654	10.2
636.87457	1.6
639.33691	45.8
640.33746	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	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
53.48562	0.9
55.01881	6.2
55.05513	23.0
57.03430	9.8
61.02888	1.0
65.03949	1.9
67.05499	28.1
69.03429	17.2
69.07065	8.6
71.01348	1.2
71.04984	6.4
79.05494	27.8
81.03415	100.0
81.07052	36.4
83.04973	34.7
83.05476	1.1
83.08620	22.4
85.02902	21.9
85.06519	2.6
91.05479	33.9
92.99184	0.9
93.07040	19.7
95.04965	31.4
95.08598	12.3
97.02895	16.4
97.06526	6.5
97.10158	7.6
98.10975	1.0
99.04463	5.2
99.08094	1.6
103.05477	1.2
105.04510	1.5
105.07025	26.0
105.07730	1.6
107.04950	45.1
107.08589	11.6
108.05284	2.2
109.02861	17.5
109.06516	5.7
109.10155	3.9
111.04446	26.8
111.08072	11.1
113.06026	2.3
115.05468	2.1
115.56290	0.9
117.07020	4.5
119.04960	1.6
119.08572	20.0
121.06512	6.1
121.10145	10.0
123.04429	2.2
123.08074	2.4
123.11671	3.1
125.09628	3.3
127.03899	8.2
128.06209	1.4
129.05469	3.0
129.07008	12.5
131.08557	13.2
133.06523	3.4
133.10129	10.9
135.08046	1.0
135.11678	4.2
137.09615	2.1
141.07034	1.5
142.07773	3.2
143.08598	1.8
145.06476	3.0
145.10115	4.3
147.04417	1.7
147.08060	4.1
147.11679	17.9
149.05981	3.3
149.09621	6.4
149.13289	1.2
151.11131	2.9
153.12764	2.9
154.46490	1.1
155.08598	1.3
157.06496	2.1
157.10127	13.0
159.11682	1.0
163.11177	4.4
165.12753	5.7
171.06566	6.7
171.07892	1.6
171.11554	1.3
173.04445	2.2
173.09631	1.6
173.74174	1.0
175.07709	1.5
175.11195	12.8
181.12259	3.7
189.11272	2.0
191.10709	3.7
193.04951	1.2
193.12238	41.1
195.13844	1.4
209.11726	4.0
211.13287	66.7
212.13603	2.2
213.14830	1.1
217.12160	1.8
219.13931	1.2
227.12733	8.3
229.14494	2.4
233.15453	1.2
235.13283	1.5
249.14903	1.9
267.15933	16.8
273.14880	2.1
277.10858	2.5
277.14331	1.2
283.15515	2.4
285.16949	14.3
289.14362	1.3
292.47647	1.1
301.14386	5.1
303.04968	5.0
319.15497	1.8
337.16483	4.5
351.18179	1.2
355.17557	6.9
367.22794	1.6
375.18198	1.7
381.92664	1.1
385.23657	2.8
393.19025	2.7
403.24982	1.4
411.20267	7.6
429.21487	1.4
459.27292	8.9
477.28464	13.1
486.60797	1.1
495.29724	14.9
511.28735	1.4
585.30463	2.2
603.31689	3.3
621.32782	10.9
639.33698	43.8
640.34271	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	639.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96100	0.7
59.43296	0.7
67.05514	0.7
69.54115	4.6
69.54530	1.2
98.37554	0.7
114.11497	0.6
123.25262	0.6
124.52774	0.6
141.32169	0.7
197.95625	0.7
390.18381	1.7
391.19202	1.4
403.19724	1.7
404.20108	1.4
405.20734	9.1
417.20914	1.3
418.21637	0.8
419.22385	4.8
420.23114	5.0
421.23834	1.1
432.22818	1.0
433.24063	3.4
434.24426	1.3
435.18359	1.0
445.19785	1.0
447.21326	4.4
449.19815	2.7
450.20303	1.4
463.21503	1.8
464.22079	3.2
465.22836	4.0
477.22763	2.6
478.23373	1.2
479.24423	25.8
480.24719	2.1
487.20792	0.9
491.24313	2.1
492.25177	1.6
493.25931	4.3
505.26019	1.8
507.27359	1.1
519.23962	1.3
520.28430	1.3
547.26666	3.1
551.26544	8.0
564.27484	2.6
565.19611	0.7
565.27515	3.5
566.28802	11.9
567.29364	0.8
579.29431	10.1
580.30127	1.3
639.31714	100.0
640.32007	7.0
657.20410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2802
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01861	1.0
55.05499	2.5
60.89341	0.6
65.03954	0.7
67.05495	5.2
69.07066	2.5
69.36239	0.8
71.04952	0.8
71.72718	1.2
79.05469	4.6
81.03410	1.7
81.07056	4.2
83.04957	1.0
83.08598	1.0
91.05469	5.4
93.07039	2.6
95.04963	2.4
95.08594	2.7
97.06540	2.1
97.10189	0.8
98.24253	0.7
105.07011	3.8
107.04984	1.5
107.08598	1.6
109.10168	1.1
117.07008	1.5
119.08580	3.0
121.10162	1.5
123.57767	0.6
125.09546	0.8
126.74682	0.6
128.06223	0.8
131.08585	2.0
133.06378	0.8
133.10129	2.4
145.06532	1.0
145.10175	1.6
147.11713	0.8
149.09625	1.5
157.10127	1.0
165.64647	0.9
179.14275	0.9
223.13498	0.7
267.11066	0.8
273.18604	1.2
275.19928	3.8
291.19577	3.1
358.27142	0.7
368.96051	0.8
376.05832	0.7
405.16907	1.1
407.18658	2.3
419.14676	0.9
420.19870	1.6
421.20383	5.1
422.21127	1.5
423.21948	0.9
433.16769	2.3
434.16962	1.0
435.17682	1.8
435.22827	1.2
436.22861	1.5
447.22330	0.8
448.19016	2.4
449.19641	9.0
450.20541	3.0
462.20584	0.9
463.21552	5.2
464.22125	4.5
465.23251	1.0
475.21243	1.9
477.18774	5.0
478.19806	2.5
479.20386	1.5
493.23080	0.9
505.22614	0.9
507.24152	0.9
523.23743	1.9
535.23175	2.0
536.24255	1.4
537.21411	1.2
550.25336	1.0
551.26605	2.7
561.24780	2.8
564.23914	3.0
565.24194	2.5
579.26001	7.2
595.25427	2.4
601.01050	0.8
607.25555	1.2
610.27710	0.9
621.26703	3.9
624.25647	4.3
639.28052	100.0
639.42419	3.7
640.28741	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	639.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.00308	0.8
53.03942	1.0
54.13350	0.4
55.01864	0.9
55.05509	3.3
56.48389	0.4
57.03428	1.5
65.03934	2.2
67.05495	7.3
68.99787	1.6
69.03426	2.7
69.07054	1.5
69.07400	0.4
71.04996	4.5
71.35174	0.4
71.46169	0.8
79.05496	5.4
81.03410	11.0
81.07046	7.7
83.04994	3.4
83.08612	2.1
85.02905	2.9
85.06546	4.6
86.09743	0.5
91.05470	12.2
93.07039	5.2
95.04976	3.6
95.08603	2.5
97.02900	3.5
97.06528	1.2
97.10161	1.2
99.04433	0.6
105.03397	0.6
105.07006	4.9
107.04959	3.0
107.08587	2.9
109.02872	2.0
109.06489	1.0
109.10145	3.0
111.00793	3.0
111.04433	4.1
111.08076	1.0
117.07004	1.0
119.04941	15.7
119.08570	2.9
120.05288	0.4
120.08154	0.6
121.02851	1.8
121.06483	0.9
121.10123	1.9
123.04417	1.9
123.08090	0.7
123.11691	1.2
123.65195	0.4
125.05900	0.4
125.09642	0.7
127.03877	2.8
129.05496	0.6
129.07027	1.6
131.08556	2.0
133.02882	0.6
133.06451	0.6
133.10107	5.5
135.04373	1.3
135.08029	0.9
135.11688	0.9
139.03888	100.0
142.07724	0.5
143.08531	0.9
145.06456	0.7
145.10106	0.8
147.04396	77.8
147.11659	2.8
148.04736	2.5
149.04927	0.6
149.06009	0.7
149.09599	0.8
151.03879	6.4
151.11151	4.5
153.05385	0.7
155.08534	0.9
156.29407	0.4
157.10107	1.9
159.08020	0.8
159.11728	0.5
161.05959	0.9
163.03893	12.3
163.11182	1.0
165.05446	1.2
165.06932	0.4
165.12767	0.5
169.12218	4.6
173.04457	1.7
175.11136	2.1
177.05441	0.8
177.12813	0.5
179.03355	1.3
179.07010	2.0
181.04947	0.8
187.13292	9.0
189.11281	0.5
193.12167	3.7
197.05981	0.5
205.04939	5.1
209.11618	0.6
211.13257	3.8
214.25664	0.4
223.13206	0.5
227.12767	1.0
229.14326	0.7
243.06621	0.5
267.15976	2.0
269.17612	0.6
271.06036	0.6
277.39200	0.4
285.07489	0.5
285.16852	1.6
287.05493	0.7
289.07037	38.1
301.06680	0.5
328.05307	0.6
329.05719	0.6
333.16882	1.2
337.16257	0.8
347.06464	0.5
385.23682	0.6
396.07953	0.6
403.24564	0.5
411.19687	0.7
431.27664	0.5
435.10187	0.6
459.27231	2.8
477.28436	2.6
495.29584	0.8
603.31128	0.7
621.32721	2.0
639.24200	0.4
639.33875	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.9
53.03945	1.0
55.01872	1.3
55.05508	2.5
57.03418	1.5
58.56633	0.3
59.02864	0.3
61.82711	0.4
65.03934	3.0
67.05502	6.4
68.99783	2.2
69.03416	2.8
69.07050	1.5
69.56439	3.3
71.04997	2.2
79.05477	4.7
81.03411	9.5
81.07050	6.7
83.04966	2.8
83.08595	2.0
85.02882	2.2
85.06531	2.6
91.05470	14.1
93.03390	0.5
93.07030	3.9
95.04962	3.6
95.08586	1.8
97.02872	3.0
97.06513	0.7
97.10158	1.3
99.04443	1.0
105.07020	4.4
107.04964	2.1
107.08582	2.6
109.02853	1.9
109.06514	1.2
109.10140	1.6
111.00780	1.9
111.04433	3.0
111.08076	1.0
117.07008	1.3
119.04931	18.6
119.08561	2.5
121.02863	0.9
121.06503	0.9
121.10121	2.0
123.04453	1.9
123.08067	0.6
123.11720	1.0
125.09583	0.6
127.03902	2.7
129.05467	0.5
129.06993	1.6
131.04892	0.4
131.08560	2.2
133.02856	0.5
133.06497	0.7
133.10110	3.4
135.04422	0.8
135.11690	0.6
137.05943	0.6
139.03886	100.0
140.04190	0.7
143.08525	0.6
145.06497	0.4
145.10092	1.3
147.04393	75.5
147.11714	2.7
148.04718	0.7
149.05978	0.7
149.09647	1.0
151.03880	6.6
151.11153	2.4
155.92407	0.3
157.10112	1.4
159.08015	0.4
159.11670	0.4
161.05956	0.4
163.02509	0.6
163.03883	11.9
163.11194	0.6
165.01817	0.4
165.05519	0.4
165.12737	0.7
169.12233	2.5
171.11681	0.4
171.78308	0.4
173.04431	1.3
173.05824	0.5
173.09634	0.5
175.11192	1.8
177.05408	0.5
177.12715	0.5
179.03362	1.1
179.07004	1.7
181.04938	1.1
181.12256	0.5
187.13277	4.5
189.11166	0.5
193.12218	4.1
193.13817	0.5
205.04962	3.3
209.11848	0.4
211.13274	5.0
227.12651	0.9
229.14284	0.7
267.15958	2.0
271.05981	0.6
285.16891	1.4
289.07037	38.8
307.08072	1.3
309.17072	0.6
319.15302	0.4
333.16904	0.8
337.16409	0.7
367.22736	1.0
371.05414	0.4
385.23566	0.6
393.19235	0.5
411.20114	0.5
459.27478	2.0
477.28287	2.9
495.29602	0.6
603.31647	0.5
621.32391	1.5
639.33826	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	637.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03721	2.3
53.03934	13.4
55.01872	10.1
55.05513	22.5
57.03447	16.2
60.90429	2.2
65.03941	4.8
67.05151	5.4
67.05501	73.8
67.05860	4.0
69.03430	18.8
69.07061	22.0
69.43513	25.8
71.04993	7.6
79.05490	75.6
81.03407	48.5
81.07048	85.1
83.04977	35.6
83.08625	14.6
85.02890	8.2
85.06556	3.5
87.04427	2.5
91.05479	68.8
91.06050	3.5
93.07036	81.6
95.04960	24.2
95.08601	35.5
97.02898	15.1
97.06525	11.5
97.10167	5.7
99.04459	4.4
102.25937	2.3
105.07019	47.6
107.04951	7.1
107.08578	31.9
109.02866	7.7
109.06503	6.7
109.10146	7.4
111.04436	9.8
111.08066	6.1
117.07021	15.0
119.08593	25.8
121.06537	4.8
121.10172	13.0
123.08085	6.4
123.11701	5.9
127.03917	7.7
128.06250	3.1
129.05499	3.0
129.06976	14.8
131.08571	11.7
133.06500	3.5
133.10147	20.8
135.08014	3.2
135.11687	7.2
138.30066	2.4
141.06963	4.4
143.08572	10.0
145.06404	3.7
145.10130	9.7
147.11676	32.8
149.13271	11.2
159.07957	3.1
159.11743	9.9
161.13229	11.1
171.11690	24.7
177.12747	5.4
183.06671	3.5
189.12752	9.8
195.13806	6.8
207.13809	31.1
225.14830	4.5
267.16119	2.9
269.17557	14.9
281.17462	61.2
339.18008	9.8
394.37207	2.9
395.20569	4.1
413.21786	30.7
475.30600	100.0
476.31412	3.4
590.62921	2.8
619.34680	51.0
637.38470	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.6
55.01855	6.2
55.05507	32.0
57.03431	16.1
57.07061	3.4
65.03930	5.7
67.05500	80.0
69.03428	24.2
69.07066	24.3
70.07822	14.5
71.04982	8.2
79.05489	89.4
81.02962	2.5
81.03414	46.5
81.07050	100.0
83.04978	27.8
83.08624	14.0
85.02901	14.3
85.06528	6.1
91.04948	4.3
91.05479	75.7
93.07039	97.3
95.04955	25.9
95.08601	39.9
97.02879	9.1
97.06521	13.7
97.10155	4.7
99.04462	5.0
99.08096	4.8
103.05382	2.6
105.07014	45.5
107.04945	11.2
107.08596	37.8
107.38884	2.1
109.02876	6.1
109.06502	7.6
109.10139	9.4
111.04406	2.6
111.08071	6.9
113.81805	2.1
115.05468	5.1
117.07014	19.3
119.04885	2.6
119.08559	28.4
121.06505	8.9
121.10136	15.6
121.39149	2.4
121.74062	2.1
123.08078	4.2
123.11699	2.8
127.03881	7.0
128.06201	5.7
129.05475	5.5
129.06987	18.8
131.03346	3.2
131.04926	3.2
131.08548	24.8
133.06438	5.6
133.10141	14.1
135.08086	3.4
135.11664	9.6
137.09459	3.1
139.11176	2.7
141.06995	3.2
141.77560	3.1
143.08540	13.8
145.06448	6.5
145.10091	8.8
147.08044	4.4
147.11667	25.2
149.06041	2.1
149.13246	25.7
155.08513	4.8
156.09344	2.6
157.06467	3.6
157.10118	3.4
159.08017	5.4
159.11661	15.7
161.09627	5.7
161.13187	11.1
167.08571	4.9
171.08002	5.1
171.11673	22.0
173.04387	4.4
173.09622	2.6
173.13228	4.8
175.07397	2.5
175.11224	2.6
177.12682	3.2
184.44109	2.5
185.13216	3.6
189.12723	9.9
195.13794	14.7
197.13118	2.3
204.09308	2.3
207.13786	25.5
213.12822	3.4
221.15369	4.4
223.14799	2.5
225.14835	5.4
241.15869	5.0
245.15381	2.9
249.14584	3.0
259.17081	3.7
269.15271	3.4
269.17535	36.0
281.17517	29.1
282.44299	3.2
287.16620	13.1
305.17490	2.4
413.21536	8.2
425.21692	3.3
475.23825	4.7
475.30566	92.1
489.32019	6.1
555.33008	7.3
619.34625	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.9
55.01870	12.8
55.05508	28.3
57.03437	9.6
57.07047	2.2
59.04976	1.9
65.03919	4.5
66.14786	1.2
67.05496	51.1
67.57841	1.3
69.03419	20.6
69.07072	9.1
70.15900	1.1
70.76103	5.0
71.01339	3.0
71.04984	24.9
72.75623	1.2
73.51016	1.4
79.05044	2.5
79.05486	40.2
80.89075	1.3
81.03410	100.0
81.07049	53.7
83.01321	3.5
83.04972	33.1
83.08606	19.3
85.02410	1.6
85.02892	20.6
85.06518	3.9
91.05473	52.0
93.07037	35.0
95.01297	1.8
95.04957	32.9
95.08600	17.0
97.02885	18.7
97.06511	10.0
97.10170	8.4
99.04443	7.9
99.08070	1.9
103.05474	1.6
105.06364	2.1
105.07021	33.9
107.04942	17.7
107.08588	22.8
109.02873	24.1
109.06514	8.8
109.07114	1.4
109.10168	12.1
111.04427	23.0
111.08074	10.2
113.05997	1.4
115.05424	3.3
117.07005	11.9
117.38987	1.3
119.04910	9.3
119.08576	22.5
121.02849	2.0
121.06519	7.1
121.10126	13.5
123.04359	2.5
123.08047	4.3
123.11677	5.2
125.02306	2.2
125.05907	1.9
125.09613	5.8
127.03927	13.6
129.05466	2.8
129.07005	10.8
130.07808	1.6
131.04886	2.7
131.08569	13.7
133.06464	5.0
133.10126	14.9
135.04410	2.5
135.08073	3.5
135.11688	9.1
137.05983	3.1
137.09558	2.9
139.07527	1.6
141.07001	1.8
142.07674	1.5
143.08519	4.1
145.06471	5.1
145.10112	12.9
147.04396	31.8
147.08000	5.1
147.11668	11.7
148.04724	1.5
149.05943	5.7
149.09567	5.7
149.13187	6.0
151.03854	3.4
151.11084	2.4
153.12730	7.4
155.08467	2.9
157.06525	1.9
157.10124	12.5
159.11697	4.7
161.06006	2.6
161.09607	1.7
163.11179	15.1
165.12738	4.9
169.10086	1.5
171.08125	1.6
171.11606	3.0
173.04407	6.4
173.05894	3.2
173.09563	3.2
175.11179	11.7
177.12701	2.8
181.12209	6.5
183.08017	2.0
183.11627	1.6
183.13737	2.5
187.13306	3.6
189.05389	1.7
189.11177	1.9
189.12704	1.6
191.10640	5.2
193.12221	25.7
195.13808	3.1
207.13797	2.3
209.11682	6.2
211.13257	32.5
216.20314	1.7
217.08524	1.7
219.13748	1.5
227.12776	13.0
229.14270	3.4
241.12215	1.5
247.13200	2.3
249.14757	3.5
257.17319	1.5
261.14917	2.2
267.15955	9.1
267.64084	1.4
269.17410	3.9
272.16238	1.5
273.14841	4.0
277.14444	1.8
283.15540	9.2
285.17023	2.6
287.12561	1.5
289.14188	3.2
301.14185	7.3
303.04819	3.1
307.15393	1.9
319.15176	3.3
325.03491	2.0
333.13373	3.5
335.14877	2.1
337.16418	3.8
339.18039	1.5
351.14102	4.3
353.15778	4.7
355.17407	5.1
375.17847	2.6
383.22171	2.3
393.18896	2.3
411.19861	4.1
425.17587	1.7
435.27325	3.2
439.27347	1.7
440.26941	4.8
457.25806	4.1
458.20471	1.4
475.26566	9.0
493.27823	7.6
513.09875	1.5
543.28949	1.8
545.27106	3.1
587.31348	2.1
601.30103	2.0
605.32910	3.8
619.30713	6.6
637.32086	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01871	0.6
55.05510	2.1
57.03434	0.6
65.03933	1.9
66.64447	0.3
67.05502	3.1
69.03427	3.3
69.07047	0.7
70.18410	0.8
70.18801	0.9
71.04963	0.6
77.36342	0.4
79.05480	2.5
81.03408	3.2
81.07052	2.6
81.49687	0.3
83.04978	4.0
83.08607	1.0
85.02899	1.8
85.06550	0.4
91.05474	13.1
91.06049	0.7
93.07040	2.5
95.04942	2.1
95.08591	1.4
97.02877	1.2
97.06535	0.5
97.10168	0.6
97.48242	0.3
98.20737	0.3
99.04440	0.6
105.07007	1.5
107.04961	1.8
107.08566	1.5
109.02874	0.7
109.10110	0.9
111.04440	8.2
117.06994	0.9
119.04931	23.7
119.08562	1.4
121.02874	0.9
121.06505	0.6
121.10114	0.8
123.04420	2.0
123.08102	0.5
127.03884	0.8
129.05466	0.7
129.06963	0.5
131.08508	1.0
133.10086	1.0
135.11690	1.3
137.02338	4.4
137.05942	0.7
139.03873	2.1
145.06502	0.4
145.10153	1.0
147.04393	100.0
147.11691	0.7
148.04729	1.2
149.09619	0.5
151.03911	1.1
153.05421	2.8
157.10132	0.6
159.07910	0.4
161.02290	0.6
163.03929	1.0
163.11150	1.4
165.05507	1.3
167.03340	0.5
169.06477	0.4
171.04393	0.5
171.06509	0.7
171.08003	0.4
173.04524	0.5
176.84259	0.4
177.01773	0.4
189.01794	0.4
189.05412	0.5
193.12213	0.6
197.05914	0.6
201.05309	0.4
203.03334	0.7
209.11612	0.5
211.13275	0.9
219.10181	0.5
225.05438	0.5
227.12714	2.1
251.09200	0.7
257.04559	0.4
271.05701	0.5
287.05347	0.4
299.05475	3.8
299.08713	0.7
301.14011	0.5
302.04129	1.0
303.05032	2.4
315.04953	5.6
316.05640	0.8
327.04974	13.5
328.05350	0.4
335.11258	4.1
341.06448	0.5
345.06006	12.5
353.06534	1.7
355.04446	0.6
367.08148	1.5
369.06180	2.0
387.07089	6.7
395.07635	7.9
396.07773	0.6
407.07516	3.3
413.08511	2.7
431.09644	0.6
473.10577	1.2
475.27344	0.7
491.12015	0.7
508.23138	0.4
515.09796	0.8
602.96161	0.4
619.30835	0.5
637.14636	0.8
637.31641	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	637.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01863	0.9
55.05507	4.8
57.03426	0.4
63.01690	0.1
65.03924	1.2
67.05502	2.5
69.03419	1.2
69.07050	0.5
71.01346	0.2
71.04986	1.2
71.70264	0.2
73.02905	0.2
76.62112	0.2
79.05488	1.6
81.03408	3.2
81.07054	2.4
83.04973	28.1
83.08594	0.8
84.05316	0.3
85.02904	1.2
85.06520	0.3
91.05472	10.3
92.50334	0.1
93.07036	1.4
95.04958	2.3
95.08581	0.7
97.02866	0.7
97.06550	0.2
97.10168	0.3
99.04461	0.3
101.05992	0.3
104.71110	0.1
105.07015	1.3
107.04943	2.2
107.08599	0.9
109.02866	0.6
109.06493	0.4
109.10146	0.7
111.04433	14.7
111.08041	0.3
115.05457	0.1
117.06995	0.6
118.59438	0.1
119.04932	24.0
119.08571	0.6
120.05826	0.2
121.02887	0.4
121.06514	0.4
121.10164	0.4
123.03662	0.2
123.04399	0.9
123.11653	0.1
125.09642	0.2
127.03918	0.5
128.06198	0.2
129.05490	1.8
129.06987	0.6
131.04916	0.3
131.08566	0.5
133.06503	0.4
133.10098	0.6
135.08057	0.2
135.11708	0.3
137.02290	0.5
139.03889	0.2
141.06964	0.4
143.08620	0.2
144.05727	0.2
145.06451	0.5
145.10103	0.3
147.04396	100.0
148.04735	1.3
149.09569	0.3
149.13205	0.2
151.03906	0.3
151.11206	0.3
153.01894	0.7
153.05466	0.3
155.08548	0.2
157.06470	0.3
157.10112	0.3
159.08020	0.6
159.11754	0.2
161.05995	0.3
163.11137	0.4
165.05449	0.8
165.06880	0.3
165.12640	0.2
167.08485	0.2
169.04942	1.2
169.06357	0.3
170.07193	0.2
171.06511	1.8
171.08031	0.5
173.04456	0.4
173.05986	1.2
173.09625	0.2
175.11145	0.4
177.05484	0.2
177.12686	0.2
183.02882	0.2
183.07993	0.2
185.05971	0.4
185.09593	0.6
187.07513	0.9
189.05481	0.3
189.09036	0.3
190.03030	0.2
191.03366	0.5
191.10689	0.2
193.12285	0.6
197.06010	1.1
201.05328	0.2
203.10681	0.2
211.07530	0.3
211.13255	0.5
213.09067	1.6
214.46170	0.1
215.06975	1.2
217.05011	0.3
227.12672	0.4
229.04900	0.6
229.08600	0.4
229.14343	0.5
231.10199	0.2
239.07057	0.5
245.04539	0.2
246.02609	0.2
257.04382	0.4
257.08163	0.9
267.15881	0.5
273.23395	0.1
275.09079	1.0
283.15546	0.2
285.03943	0.3
301.03409	0.5
301.14178	0.3
302.04181	0.2
303.04965	7.2
315.04950	0.5
335.11224	3.9
351.14279	0.2
355.22504	0.2
375.17880	0.3
391.17630	0.2
393.19061	0.2
395.07471	0.5
407.07544	1.4
413.08646	0.3
421.09061	0.4
421.25525	0.3
439.26776	0.5
440.26962	0.4
449.08710	0.9
467.09702	0.7
475.26529	0.6
595.14923	0.2
619.30487	0.2
637.15240	0.2
637.32031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70485	0.3
52.45266	0.2
53.03934	0.4
55.01864	0.6
55.05247	0.3
55.05505	5.0
58.54085	0.3
65.03915	1.5
67.05480	1.1
69.03424	0.7
69.07024	0.4
70.88256	0.5
71.04956	0.5
79.05452	0.5
81.03394	1.3
81.07032	1.1
83.04974	28.8
85.02877	0.5
91.05470	9.6
93.07021	0.5
95.04969	2.0
97.02866	0.4
105.07016	0.7
107.04942	2.1
111.04434	15.4
119.04932	22.1
121.02901	0.4
123.04420	0.4
128.10826	0.3
129.05455	1.2
129.06972	0.4
129.86014	0.3
131.08559	0.4
133.10078	0.3
137.02328	0.3
145.06485	0.4
147.04395	100.0
148.04729	1.2
151.03983	0.4
153.01820	0.6
153.05475	0.3
156.11153	0.3
157.06560	0.3
165.01865	0.4
165.05461	0.9
169.04950	1.9
169.06375	0.5
171.06548	1.4
171.07852	0.3
173.05919	1.5
185.05963	0.3
185.09587	0.7
187.07521	1.6
193.12189	0.5
195.07967	0.3
197.05991	0.5
201.05449	0.4
213.09120	2.9
215.07014	0.9
229.05058	0.3
231.10219	0.5
257.08057	1.2
275.09125	0.7
292.31732	0.3
303.04984	6.0
315.05035	0.4
335.11240	6.8
407.07626	1.3
473.35489	0.4
637.31622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01861	2.3
55.05504	11.1
57.03170	0.9
57.03431	10.3
57.07059	0.8
58.94740	0.8
59.05003	3.6
61.02918	4.2
65.03918	1.9
67.05497	70.1
69.03424	3.6
69.07066	5.3
70.30515	2.9
71.04987	4.3
73.02904	1.2
78.06230	0.7
79.05485	13.2
81.03410	36.4
81.07050	22.8
81.07484	0.5
83.04518	1.3
83.04977	15.6
83.08611	18.6
85.02893	17.2
85.06536	3.6
91.03931	2.2
91.04939	1.5
91.05470	22.3
93.07039	10.8
95.04960	16.5
95.08592	10.1
96.69807	0.8
97.02893	4.4
97.06526	2.1
97.10145	2.3
99.04422	1.0
99.08095	0.9
103.03915	1.1
105.07022	11.7
107.04939	7.5
107.08569	4.9
109.02845	1.4
109.06496	3.2
109.10144	64.9
111.04443	9.9
111.08060	9.8
113.05979	1.9
115.05427	1.4
115.30180	0.7
117.06992	1.4
117.39210	0.8
119.04945	7.9
119.08560	15.0
121.02892	1.4
121.06504	1.0
121.10126	5.3
123.04390	2.3
123.08071	1.5
123.11676	1.4
125.09631	1.8
126.05540	0.8
127.03922	1.6
129.05452	1.7
129.06995	5.9
131.08534	7.0
133.06474	1.5
133.10097	7.4
137.02354	1.1
137.09596	3.4
139.03862	1.8
142.07777	1.3
145.10114	2.1
147.04396	36.9
147.08025	2.2
147.11668	10.3
149.09576	2.8
151.03868	0.8
153.01805	3.4
153.05475	3.9
155.10645	2.9
157.10112	9.4
163.11130	1.5
165.01898	0.8
165.12782	2.1
171.06509	1.3
173.11722	20.9
175.11134	9.6
193.12233	28.2
211.13277	41.4
218.34872	0.8
227.12886	0.9
229.14340	59.6
230.14655	1.2
231.08522	1.6
267.15875	14.4
285.03848	1.9
285.16940	37.0
303.04999	9.3
315.04825	5.0
316.62433	0.8
318.02298	0.7
339.18225	0.8
345.06152	2.6
351.08560	1.3
361.07019	1.4
379.08002	1.4
387.07132	1.6
395.07773	1.9
407.07584	8.5
421.25778	15.1
439.26865	100.0
440.27112	3.5
449.08734	0.9
477.56485	0.8
637.15662	3.8
637.32153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05503	3.1
55.17112	0.8
57.07040	0.8
65.03938	1.7
67.05502	5.6
69.07064	4.5
71.72870	1.3
74.75777	0.7
79.05482	6.0
81.03380	1.4
81.07048	12.7
83.04972	5.2
83.08611	2.3
91.05470	21.8
91.81272	0.8
93.07038	13.8
95.04952	4.9
95.08597	15.6
97.06530	1.7
97.17185	0.8
103.05492	0.9
105.07011	15.7
107.08582	18.6
107.09255	1.5
109.06525	1.6
109.10152	9.2
109.58851	0.8
111.08088	2.4
117.07012	2.7
119.04932	25.7
119.08569	21.1
121.10136	14.9
123.08109	0.9
123.11707	4.9
124.50746	0.8
125.09615	3.6
129.06996	1.5
131.08556	8.1
133.10115	14.7
135.11662	5.4
137.09541	1.1
143.08543	5.2
145.10112	13.8
147.04395	100.0
147.11685	6.6
149.13263	3.9
151.11140	1.7
155.08549	0.9
157.10120	2.7
159.11693	14.8
161.13246	6.6
163.11140	1.0
163.14821	4.7
169.10225	1.3
171.11745	2.2
173.13229	7.1
175.14778	7.3
177.16356	7.0
187.14803	14.9
189.16367	20.2
191.14314	3.9
191.17995	3.7
197.13367	0.9
199.14876	3.0
201.16365	20.3
203.17926	5.8
205.15906	2.5
207.17516	1.0
211.14957	0.9
213.16379	8.7
215.17961	9.3
217.15872	4.7
217.19513	2.4
219.17404	14.1
219.19478	0.9
227.18105	1.7
227.61031	1.0
229.19481	1.0
231.17430	1.8
233.19032	2.1
235.16887	7.2
241.19551	2.3
243.21111	2.1
245.22345	0.8
246.38972	0.8
247.16980	3.2
255.21075	1.6
261.18393	3.0
267.21094	3.1
389.32043	2.9
407.33087	25.1
409.34677	3.9
435.32480	5.5
453.33597	18.8
518.82318	0.9
598.02100	0.8
635.37500	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	635.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73474	0.9
56.71301	0.9
64.76505	0.9
69.65060	7.2
75.73864	1.1
84.37167	1.0
161.73341	1.2
171.39027	0.9
171.63336	1.0
209.10652	1.1
235.12376	1.4
236.09787	1.0
249.14116	1.2
388.17581	1.0
389.17761	2.2
401.17868	2.7
402.18427	1.6
403.19104	4.6
404.19882	2.2
405.20847	2.1
415.19583	1.6
417.16254	2.1
417.21390	6.4
418.21603	3.7
419.22427	2.9
429.16370	1.2
429.21393	1.7
430.17435	1.5
431.18164	9.9
432.19272	2.9
433.23834	3.4
444.19443	2.9
445.19781	9.2
446.20786	2.5
447.21722	2.0
459.17294	2.1
459.22165	3.6
460.22498	3.9
461.23340	3.2
473.18784	1.6
475.21704	1.7
487.25330	1.4
488.22131	3.4
489.23093	6.8
491.24731	1.2
501.22675	1.2
505.22943	1.3
515.24744	1.6
519.26379	1.2
532.24713	1.7
547.27490	8.8
575.26532	20.4
576.26477	1.8
635.28601	100.0
636.28668	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	635.3938
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03941	1.2
55.01827	0.5
55.05505	3.8
57.03420	1.4
57.07069	1.4
57.36037	0.5
61.02916	1.6
63.79357	0.5
65.03926	2.0
67.05502	5.6
69.03403	1.5
69.07063	5.4
69.44724	4.9
73.02911	0.7
79.05483	5.3
81.03394	0.9
81.07050	11.6
81.09171	0.5
82.29172	0.5
83.04977	3.4
83.08614	3.0
85.02899	2.8
91.03939	1.6
91.05469	18.5
93.07034	11.4
95.04967	2.5
95.08596	20.0
97.02869	2.0
97.10125	1.3
99.08070	0.9
105.07018	16.5
105.07722	0.8
107.08585	19.9
109.06500	1.9
109.10151	12.4
111.08043	2.8
117.07012	2.7
119.04936	27.5
119.08574	23.7
121.06520	0.6
121.09265	0.9
121.10136	12.6
123.08028	1.8
123.11685	4.8
125.09618	4.3
129.07004	1.8
131.08569	8.5
133.10121	16.2
135.11694	7.2
137.09605	1.3
137.13252	1.2
143.08580	3.5
144.09309	1.2
145.10118	16.8
147.04399	100.0
147.11655	8.7
148.04764	1.3
149.09596	1.7
149.13258	5.0
151.11150	1.5
153.09091	0.9
155.08524	0.9
157.10121	3.7
159.11699	14.2
161.13220	8.6
163.11174	1.3
163.14812	5.3
165.05472	6.9
165.16335	0.9
169.10104	1.2
171.11702	3.2
172.12471	0.8
173.13242	7.8
175.14810	8.6
177.12733	0.9
177.16373	7.1
183.11676	1.3
185.13269	2.2
187.14809	19.7
189.16380	20.7
191.14323	3.4
191.17917	3.8
193.15875	1.7
197.13208	0.9
199.14830	4.7
201.16359	28.2
203.17935	8.5
205.15883	3.8
207.17419	1.9
213.16365	10.0
215.17935	11.1
217.15855	5.6
217.19492	3.1
219.17404	11.9
221.15422	0.7
225.16342	1.1
227.17953	2.4
229.15918	0.9
229.19472	1.4
231.17467	1.8
233.18961	2.4
235.16960	8.2
239.17975	1.6
241.19563	3.0
243.21169	2.3
245.22629	0.6
247.16942	4.3
253.19414	0.9
255.21059	2.2
257.22699	0.7
261.18530	3.5
267.20950	3.1
269.22501	0.8
275.20221	0.8
281.22693	1.7
283.24176	1.1
295.92801	0.7
311.25803	2.4
327.23199	0.9
349.29062	1.3
379.33496	0.7
389.32053	4.8
395.29294	1.7
407.33057	20.9
408.33350	1.0
409.34680	2.1
423.32605	2.1
425.34225	1.2
435.32578	6.8
453.27658	1.2
453.33636	16.9
635.38690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58362	0.7
53.03933	2.8
55.01867	3.8
55.05507	29.2
56.92775	0.8
57.03431	1.3
65.03941	1.6
66.01379	0.7
67.05496	6.1
68.99788	1.7
69.03425	2.7
69.07062	1.0
70.25396	2.3
71.04990	1.5
76.34532	0.8
79.05486	4.6
80.76095	0.6
81.03403	8.0
81.07034	4.2
82.04173	1.2
83.04973	100.0
83.08613	1.4
85.02892	2.4
91.05466	14.5
93.07018	5.9
93.66299	0.7
95.04960	24.0
95.08619	2.0
97.02876	2.2
97.06491	0.8
99.04459	1.2
103.05476	2.6
105.07021	4.0
107.04947	9.7
107.08607	2.2
109.02885	3.1
109.06503	1.6
111.00764	0.9
111.04434	56.7
115.05476	1.0
117.07020	1.8
119.04935	27.2
119.08580	3.0
120.05712	1.5
121.02873	1.9
121.06505	2.1
121.10157	0.8
123.04420	36.2
125.02356	0.8
127.03915	1.9
128.06161	0.9
129.05472	1.3
129.06999	2.7
131.04929	0.9
131.08504	1.8
133.06447	1.3
133.10123	2.0
135.04427	1.6
137.02319	2.1
137.06007	0.9
139.03940	1.2
141.06963	1.3
141.22916	0.7
143.08569	1.3
145.06528	1.8
147.04393	16.7
147.11678	3.0
153.01814	31.8
153.05452	1.6
157.06482	1.7
159.04420	0.9
159.08084	2.4
161.13252	0.8
163.03923	2.2
165.01845	4.2
165.05470	19.9
165.06831	1.6
166.02618	1.7
169.06523	0.7
171.04411	1.8
171.08057	0.9
171.11674	1.3
173.05978	2.9
175.03920	0.9
177.01895	1.2
177.05453	1.9
179.03371	2.1
183.02908	2.0
183.08092	1.1
185.06001	0.7
187.03934	2.5
187.07574	2.0
189.05466	1.2
189.12570	0.9
191.03404	2.3
193.05086	1.0
193.12303	2.3
199.03914	1.2
200.04759	1.0
201.05499	2.8
203.03465	2.6
205.04984	3.5
211.07571	1.6
211.13329	3.2
213.05516	2.0
213.09129	7.4
215.03418	1.6
215.06970	1.9
216.03978	0.8
217.04890	4.4
218.05605	1.0
219.02846	4.3
226.90337	0.8
227.03442	1.7
228.04250	2.1
229.04909	5.2
229.08426	1.4
230.05777	2.2
231.02875	1.9
231.06532	2.4
233.04384	8.5
234.05127	0.9
241.01184	0.9
241.04976	1.5
243.02954	1.6
244.03635	1.7
245.04439	5.2
245.06657	0.9
246.05170	1.0
247.02391	1.1
255.02975	3.3
255.06615	1.6
256.03674	1.7
257.04324	4.6
258.05237	1.8
258.08966	1.1
259.06049	1.9
261.03885	7.8
266.05844	0.8
267.06512	0.9
269.04645	2.2
271.02402	6.2
271.05804	1.3
272.03119	0.9
272.06055	0.8
273.03925	4.6
281.17511	1.4
283.02414	2.5
283.06052	2.6
284.03067	1.9
285.04004	4.6
287.01816	1.3
287.05493	0.9
288.02676	1.4
289.03415	9.9
290.04218	2.1
295.05914	1.7
297.03912	2.1
299.01813	4.1
299.05057	0.9
300.02576	6.4
301.03394	11.4
302.04236	2.6
303.04941	1.0
307.05936	0.8
309.03973	1.2
309.07516	1.9
311.05347	3.5
313.03506	2.9
314.04306	1.9
315.01459	1.4
316.02133	1.5
317.02908	24.9
318.03644	20.6
319.04333	12.4
323.05551	1.8
325.03305	1.2
327.04987	1.1
329.02890	32.6
329.06799	1.6
330.03650	17.2
330.07355	1.3
331.04462	33.2
335.05502	1.7
336.06522	1.1
337.07108	1.3
339.04898	4.6
340.05792	2.1
341.02756	1.2
341.06546	3.3
343.04358	5.4
344.01556	5.4
345.02380	17.2
346.03238	1.7
350.04324	1.1
351.05121	1.8
353.02933	6.4
353.06689	2.7
355.04434	1.4
355.08356	1.6
356.05371	1.2
357.06073	1.6
358.07077	1.3
364.05914	1.5
365.06696	3.9
366.07092	1.0
367.04376	9.1
367.07730	0.9
368.05374	6.2
369.05997	6.8
370.03247	3.1
371.03885	3.8
372.04828	1.2
373.05365	4.1
381.05920	3.5
382.06827	6.1
383.07599	8.4
385.05420	5.7
386.06348	6.3
387.02618	3.9
387.07593	6.2
392.05328	1.6
393.06104	2.7
395.03912	7.0
403.08139	1.6
409.05597	5.3
410.06277	37.3
411.07056	21.5
427.06516	1.5
428.07434	2.4
429.08142	5.8
437.08582	5.8
447.07260	3.4
449.08704	3.4
452.07449	9.7
453.08167	13.4
463.06711	1.4
465.08170	19.2
471.09149	7.2
477.08191	1.6
483.09189	6.0
487.10397	3.0
493.07840	2.1
495.09286	4.6
501.11853	2.0
505.11459	5.5
509.07022	4.2
515.09802	2.9
517.07550	1.3
519.12158	0.9
523.08258	1.3
529.11316	12.5
533.10614	8.8
535.08679	1.3
537.10223	8.9
547.12238	7.2
551.12323	15.0
557.10754	8.2
575.11780	48.1
576.12262	1.1
577.09631	3.6
593.12921	16.4
599.11804	0.9
617.03217	1.6
617.12860	20.2
635.13763	3.5
635.34161	5.1
659.64136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0876
Annotation	Strictinin
Peak:m/z	Relative Intensity
51.02373	1.0
55.01872	0.8
55.51876	0.4
57.03432	0.4
61.26518	0.3
64.24232	0.4
69.03419	0.6
71.70138	0.6
78.39722	0.3
79.01850	6.7
81.03413	0.8
85.02884	0.9
85.23904	0.3
91.44575	0.3
97.02885	1.4
107.01319	1.9
109.02880	0.5
111.12654	0.4
115.05457	0.5
125.02340	5.0
127.03928	0.6
131.05026	0.4
139.03932	0.6
143.03383	10.1
152.09352	0.3
153.01819	100.0
153.02849	4.6
154.02132	2.5
163.03918	0.6
171.04395	0.7
179.03391	0.6
181.68335	0.4
187.03893	1.0
189.05489	0.7
199.03882	1.4
203.03395	0.6
213.05486	0.5
215.03307	1.7
217.04910	0.4
227.03387	1.2
229.04892	0.5
231.02858	1.4
239.03342	0.6
241.05042	0.4
243.02832	1.8
245.04419	0.5
247.02332	0.5
255.02855	1.0
255.05173	1.7
257.00662	0.6
259.02316	1.9
261.03998	0.9
265.05008	0.4
269.04434	0.6
271.02289	2.2
273.03891	2.1
275.01874	0.7
277.03430	1.0
283.02429	1.3
285.03650	0.5
287.01971	0.5
287.05341	0.6
289.03436	5.5
295.02261	0.4
297.03925	0.6
299.01834	5.3
301.03464	3.9
303.01474	2.2
303.04584	0.7
305.02911	1.3
313.03360	1.4
315.01392	6.1
315.05112	0.9
317.03027	1.1
319.04446	1.1
327.01346	4.2
328.99246	1.3
329.02670	0.6
331.00815	3.3
333.02423	0.4
339.01303	0.8
339.04926	0.5
341.02914	1.5
343.00482	0.5
343.04523	0.6
345.02393	19.8
346.02795	0.5
353.03043	0.5
355.04510	0.6
361.01810	0.6
367.04596	1.0
369.02554	1.8
373.05560	0.5
381.02438	1.3
383.03909	0.7
385.05539	1.7
393.02676	0.6
399.03485	1.1
411.03433	2.2
429.04340	0.8
447.05530	1.2
464.50580	0.4
465.06696	3.1
483.07892	0.8
635.06134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02409	1.8
53.03931	7.6
55.01865	3.7
55.05506	15.6
57.03434	4.2
57.07064	5.1
57.80850	1.5
59.04977	3.1
65.03928	5.0
67.05498	100.0
68.30559	1.8
69.03423	34.2
69.07057	13.6
71.04980	6.3
71.08622	2.1
71.72898	2.6
79.05486	32.6
81.03414	23.0
81.07047	43.2
81.64350	1.6
83.04996	8.3
83.08607	13.1
85.02915	4.1
85.06517	3.6
91.05466	31.4
93.07038	35.0
95.04971	12.8
95.08595	32.9
96.70466	1.9
97.02885	4.9
97.06504	3.6
97.10136	7.4
99.04451	3.4
99.20636	1.9
103.05434	1.9
105.07016	27.4
107.04927	5.9
107.08590	22.1
109.02881	5.7
109.06496	5.3
109.09415	4.0
109.10146	61.2
111.04435	8.0
111.08075	4.7
115.05436	3.8
116.56001	1.7
117.07012	13.3
119.08572	21.6
121.06480	5.6
121.10154	12.4
123.08036	4.3
123.11734	2.0
125.09634	4.5
126.73715	1.6
127.03896	4.8
128.06213	2.1
129.06992	7.0
131.04913	2.6
131.08553	14.0
133.06485	4.3
133.10132	13.1
135.08035	6.3
135.11652	8.5
137.09601	6.6
141.06958	3.2
142.07790	2.6
143.08569	8.8
144.09256	2.2
145.06470	2.5
145.10118	15.6
147.08003	4.8
147.11635	9.3
149.09575	3.0
149.13310	4.6
155.08543	4.1
155.10654	3.0
157.06372	1.8
157.10196	8.4
159.08058	2.0
159.11684	9.8
161.09554	4.4
161.13237	5.6
163.03862	2.0
163.11179	2.2
169.10112	6.2
171.07994	2.9
171.11638	5.3
173.09572	3.0
173.11707	14.2
173.13266	5.5
175.11179	4.0
177.12819	2.4
181.10014	3.1
183.11638	3.2
185.13220	4.2
187.14862	2.5
189.12772	4.0
195.11661	2.6
197.13231	4.7
199.11230	1.7
203.14197	2.1
211.14728	2.1
213.12640	2.4
225.12759	2.6
229.14290	19.7
277.21487	2.0
278.21176	1.8
299.15176	2.8
301.21564	8.2
303.23209	2.1
309.57513	1.8
313.21704	1.8
315.23029	2.3
319.22388	2.6
327.23627	2.1
331.26279	4.8
345.24203	3.0
351.23212	5.1
353.24664	2.3
357.24628	1.8
369.24045	11.6
371.25546	2.4
387.25174	5.3
436.77487	2.0
443.28058	5.1
461.28772	6.5
597.37836	4.8
603.41412	3.1
615.38995	8.8
633.39941	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.3
55.01861	4.8
55.05508	20.0
57.03430	5.0
57.06431	1.7
57.07047	2.3
59.04988	3.0
61.82629	1.7
65.03933	3.3
66.09180	2.1
67.05498	100.0
68.99819	2.3
69.03422	30.8
69.07066	11.9
71.02594	1.7
71.04972	6.2
71.71268	2.0
71.71633	2.3
79.05485	32.8
81.03020	2.1
81.03415	22.3
81.07049	46.7
83.04970	9.6
83.08623	11.1
85.02879	6.4
85.06522	4.6
87.04427	2.3
91.05476	34.0
93.07034	37.8
95.04957	11.5
95.08597	28.4
97.02886	8.0
97.06501	5.7
97.10134	7.7
99.04426	4.0
103.05403	1.9
105.07025	20.9
107.04951	2.5
107.08582	21.3
109.02843	7.1
109.06500	5.0
109.10152	61.7
111.04430	5.1
111.08041	5.7
115.05392	2.1
117.06994	16.7
119.04799	1.8
119.08561	26.0
121.06509	3.1
121.10143	12.5
123.08054	3.4
123.11672	2.6
125.09627	5.6
127.03893	4.6
128.06181	4.3
129.06981	6.1
131.04919	2.5
131.08545	14.8
133.06432	3.5
133.10121	14.3
135.08015	4.9
135.11613	9.9
137.09622	8.7
141.06967	3.2
143.08589	8.9
145.06511	4.2
145.10123	14.3
147.07996	2.8
147.11667	10.2
149.09624	4.6
149.13200	4.0
151.11150	1.8
155.08470	4.2
155.10675	1.9
157.10066	6.4
159.08012	2.5
159.11627	10.9
161.09619	2.5
161.13242	6.0
163.11118	2.3
169.10071	5.2
171.08011	2.0
171.11668	7.8
173.09541	2.7
173.11717	20.8
173.13232	9.3
175.11131	2.1
175.14784	3.4
177.12737	3.0
179.08600	1.9
181.10107	2.3
183.11732	4.1
185.09528	3.8
185.13231	7.1
187.14835	4.1
189.11180	5.8
189.12659	2.6
193.10052	1.8
193.12137	1.9
197.13225	5.5
199.14824	2.9
211.14880	2.4
215.14276	2.0
223.14861	1.9
227.12614	2.3
229.14291	17.8
245.13805	2.0
259.20486	3.1
261.22110	1.9
271.20642	1.9
277.21655	3.7
289.21680	2.0
299.15262	2.4
301.21579	7.9
313.21744	2.3
327.23206	2.3
341.24814	2.3
351.22931	8.7
355.17462	2.5
369.24200	11.4
381.44168	2.1
387.25186	6.6
393.26395	2.4
439.53085	1.9
443.27798	6.1
461.28775	6.1
585.37848	2.2
597.37476	7.2
615.29974	1.9
615.38751	10.7
633.39917	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.1
53.00286	0.8
53.03938	0.1
53.35881	0.1
55.01860	0.5
55.05511	0.1
60.68896	0.1
65.03937	1.5
66.04700	0.1
67.01846	0.1
67.05495	0.5
68.99779	0.9
69.03416	0.2
71.71008	0.1
79.05474	0.2
81.03394	0.2
81.07059	0.2
83.04988	0.5
85.02868	0.2
89.00638	0.1
91.05473	0.3
93.03381	0.4
93.07034	0.1
95.04954	0.5
97.02852	0.3
103.05415	0.1
105.07025	0.2
107.04945	0.4
109.06518	0.1
109.49790	0.1
111.00790	0.6
111.04435	1.7
114.66106	0.1
115.05458	0.1
117.03375	0.1
119.04956	0.1
121.02861	1.3
123.04428	2.4
127.03911	0.3
133.02859	0.4
134.03549	0.1
135.04410	0.2
137.05969	2.4
139.03888	100.0
140.04221	0.7
143.04872	0.2
147.04401	0.1
149.05968	0.5
151.03893	7.0
151.07523	0.4
153.01807	0.9
153.05431	0.2
159.04337	0.1
159.07994	0.1
161.05974	1.2
163.03896	4.0
163.07501	0.6
165.07005	0.3
167.07126	0.1
169.04979	0.1
175.03891	0.2
175.07495	0.2
177.05507	0.4
179.03363	0.2
179.07053	0.7
179.08531	0.2
181.05011	0.5
181.06464	0.1
182.07289	0.2
185.05978	0.1
187.03868	0.1
188.04666	0.5
189.05537	0.1
191.07018	0.3
193.06509	0.6
194.07326	0.1
197.09688	0.1
201.05246	0.1
203.03427	0.2
203.07011	1.2
205.04974	1.2
205.08574	2.7
207.08067	0.2
209.06215	0.1
209.08090	0.4
210.06779	0.4
213.05463	0.1
221.05988	1.1
222.06700	0.1
223.07515	0.1
224.08289	0.3
225.09070	1.0
233.08052	0.2
235.07581	0.1
237.09271	0.1
238.06184	0.3
239.07080	0.1
239.10594	0.1
243.53896	0.1
249.08873	0.2
251.07310	0.1
252.07782	0.3
253.08575	1.5
254.09174	0.1
255.06560	0.4
265.08679	0.2
267.10141	0.9
269.08096	0.1
269.12106	0.1
271.06018	0.1
277.08710	0.3
280.07297	0.2
285.07904	0.1
285.11169	2.3
287.05536	1.6
287.09100	0.4
287.12137	0.1
289.07037	7.3
294.08768	0.1
295.09781	0.5
297.11151	0.6
299.09094	0.5
309.11194	0.6
311.09067	0.3
319.04654	0.1
323.09323	0.1
325.10843	0.1
327.12247	5.8
327.58142	0.1
328.12622	0.1
329.10043	0.2
329.13782	1.7
331.11954	0.2
339.12305	0.4
341.10736	0.2
345.13242	1.6
351.12250	0.1
357.13242	0.3
359.11115	0.7
371.11252	0.3
383.11441	0.1
471.21863	0.2
481.14941	0.1
495.16458	0.4
507.16510	0.2
547.35675	0.1
587.04144	0.1
633.27417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.2
53.00286	1.1
55.01864	0.4
55.05497	0.2
57.03444	0.1
65.03935	1.4
67.05495	0.2
68.99776	0.9
69.03426	0.2
70.53606	0.5
78.85791	0.1
79.05486	0.5
80.74169	0.1
81.03409	0.2
83.04962	0.4
85.02875	0.2
89.03881	0.3
91.05446	0.6
93.03387	0.6
93.07043	0.1
94.04169	0.2
95.04945	0.5
97.02879	0.3
103.05456	0.3
105.07026	0.2
107.04952	1.8
111.00798	0.4
111.04433	1.8
112.04772	0.2
117.03374	0.2
119.04904	0.2
121.02861	1.7
121.06486	0.7
121.50655	0.1
122.03625	0.5
122.21688	0.1
123.04412	2.7
125.02325	0.2
127.03925	0.2
131.04892	0.5
133.02856	1.0
133.06454	0.3
135.04427	1.4
137.05969	9.5
139.03889	100.0
140.04260	0.8
143.03429	0.2
143.04912	0.2
145.02869	0.3
147.04420	0.5
149.05975	1.3
150.06772	0.6
151.03900	7.5
153.01819	4.0
153.02904	0.2
153.05380	0.2
157.06525	0.2
159.04367	0.3
161.04755	0.1
161.05994	1.8
163.03894	7.2
163.07530	0.3
165.05502	0.3
165.06892	0.1
169.01303	0.6
169.04982	0.2
173.05972	0.3
175.03883	0.6
175.07549	0.2
177.05479	0.5
179.03419	0.3
179.07021	1.6
181.04944	0.7
181.06413	0.2
187.03903	0.2
193.06488	0.3
195.06464	0.2
195.08119	0.2
197.05992	0.2
199.07486	0.2
203.07025	2.3
205.04980	1.3
209.05949	0.2
213.05492	0.3
215.06874	0.2
223.07820	0.1
227.06938	0.3
233.04422	0.3
235.07553	0.4
239.70084	0.1
241.04866	0.2
241.08592	0.2
247.05972	0.2
249.92174	0.1
253.08481	0.3
255.06522	0.3
255.10107	0.2
257.08096	0.5
261.03787	0.2
267.10181	0.2
269.08151	0.6
271.06161	0.3
281.08130	0.5
285.07703	0.2
285.11172	0.5
287.05618	0.9
287.09088	8.1
288.06305	0.2
289.03745	0.3
289.07043	5.5
299.09116	1.5
301.07169	0.1
305.06668	0.2
311.09131	0.5
313.07050	0.3
319.04404	0.4
327.12207	0.7
335.03891	0.2
392.14636	0.1
419.10919	0.2
437.12451	0.9
597.07397	0.4
613.66827	0.2
633.26965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.9
53.68065	0.7
55.01862	1.2
58.93225	0.8
59.12959	0.8
61.62072	0.8
68.99786	1.6
69.03424	0.7
71.70469	1.4
71.70834	0.8
79.01851	6.2
97.02842	1.1
107.01303	1.4
109.02888	0.9
111.00791	1.5
121.02822	1.2
125.02369	4.5
127.03871	2.7
131.79341	0.8
137.02353	1.3
139.03894	26.0
141.01816	1.1
143.03381	9.4
147.04314	0.8
149.02318	1.8
151.03922	3.6
153.01820	100.0
161.02309	1.0
162.03122	2.2
163.03909	8.0
165.01848	6.6
175.03827	1.0
177.01768	4.0
177.05408	2.0
179.03383	4.6
181.04892	1.3
183.02905	7.2
190.50977	0.8
191.03381	3.1
195.02878	2.2
197.99519	0.7
203.03387	3.2
205.05016	1.9
207.02930	1.5
213.05371	1.2
219.02878	4.0
221.04465	2.0
223.02354	3.0
233.04411	4.1
241.04845	1.6
245.04639	1.5
245.15068	1.0
249.03984	2.1
253.05237	1.2
267.05017	1.8
269.04367	1.8
271.06021	1.5
277.03412	3.1
287.05490	48.7
288.06195	6.3
295.04456	6.1
299.05542	1.3
313.05441	15.2
325.05499	3.0
327.04971	2.3
339.05005	1.6
353.06506	2.2
355.04645	0.9
367.04456	1.2
427.06503	2.9
445.07623	14.7
463.08499	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	633.1078
Annotation	Myricetin 3-(2''-galloylgalactoside)
Peak:m/z	Relative Intensity
53.03954	0.4
62.71255	0.3
69.03411	1.0
69.55106	2.6
74.64471	0.3
79.01852	3.1
81.03439	0.4
85.02897	1.7
97.02887	10.7
103.05435	0.3
107.01308	1.5
109.02860	1.5
110.42773	0.4
122.52125	0.4
125.02352	2.9
127.03902	2.1
131.04922	2.7
133.02882	0.3
137.02281	0.6
143.03391	6.4
145.04932	0.7
147.04417	0.7
151.03931	0.4
153.01822	100.0
154.02190	0.4
159.04410	5.8
161.02364	0.4
161.06009	0.7
163.03920	1.6
165.01828	1.0
165.05411	0.4
171.02911	1.5
171.04269	0.4
175.03929	1.4
177.05473	2.0
179.03427	1.4
179.06921	0.4
181.01340	1.2
183.02786	0.7
186.01431	0.4
187.03902	1.5
191.03416	2.6
193.04887	0.7
197.00821	1.0
199.03944	0.7
203.03404	0.8
205.04944	8.1
207.02875	8.3
209.04462	0.8
211.02376	0.9
215.03386	1.8
217.04956	1.1
219.02869	0.4
221.04404	3.7
223.02386	0.9
233.04449	11.3
235.02420	0.8
237.03903	2.2
242.93968	0.3
243.02980	0.5
245.04454	1.0
249.03891	2.4
251.05334	0.8
261.03973	3.2
273.03937	0.8
279.04971	5.4
290.04068	0.5
297.06091	5.5
301.03613	0.4
315.07120	5.0
319.00674	0.8
319.04468	15.8
326.16339	0.3
326.34689	0.4
336.38455	0.4
343.04352	0.6
371.46347	0.5
371.60455	0.4
463.08368	0.4
481.09668	0.4
519.01208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82502	0.9
53.03944	1.8
55.01858	2.2
55.05507	9.3
57.03175	1.1
57.03431	15.2
57.07054	1.1
61.02913	1.7
65.03922	1.5
67.05497	42.0
69.03409	1.7
69.07063	12.7
71.01340	3.7
71.04974	4.0
71.72243	1.7
73.02933	0.9
78.19614	1.1
79.05033	1.8
79.05485	33.2
81.03416	6.5
81.06609	1.8
81.07047	18.8
82.18333	1.0
83.04976	10.5
83.08602	4.8
85.02914	2.1
85.06531	2.2
91.05462	13.3
93.07036	40.9
95.04955	6.8
95.08609	7.5
97.02870	1.3
97.06526	9.3
97.10154	9.8
99.08084	1.8
105.07018	5.3
107.04949	1.5
107.08581	29.5
109.06541	1.8
109.10132	7.6
111.08048	2.4
117.07005	3.8
118.23265	0.9
119.08534	5.5
120.84290	0.9
121.06520	1.7
121.10160	6.4
125.09595	2.1
129.07010	1.2
133.10094	4.4
135.10629	2.2
135.11676	43.4
137.09579	2.2
141.55771	1.2
145.10110	7.7
147.11670	1.2
153.01802	2.8
153.12643	1.5
163.11159	6.1
181.12198	9.3
193.12184	2.4
199.13243	1.7
211.13280	1.6
218.10538	1.0
229.14331	2.2
241.14256	1.4
255.15895	64.2
267.15942	1.1
269.17471	2.4
285.17010	2.1
435.27386	100.0
436.27451	1.5
439.26904	2.6
479.30182	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	633.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
65.03905	0.7
67.01849	3.0
68.99780	6.0
69.03409	1.6
70.04131	0.9
70.04553	2.3
70.47197	0.6
79.01858	0.9
79.05485	0.6
81.03427	1.2
81.07044	0.7
84.99572	0.5
85.02901	0.7
91.05455	1.4
95.04948	1.6
97.02901	2.8
107.04932	1.6
109.02892	0.7
111.00790	1.9
119.04941	0.9
121.02836	2.5
123.04473	0.7
123.74705	0.6
127.03901	1.0
131.04897	1.2
135.04398	2.2
136.68466	0.6
137.02307	2.7
139.03896	1.2
143.03352	1.5
147.04414	1.4
153.01814	96.6
159.04428	0.7
163.03889	20.0
165.01857	1.3
171.02834	2.1
175.03903	1.0
177.05446	0.8
179.03384	4.7
181.01306	1.0
187.03894	1.1
191.03380	37.4
192.04109	2.4
193.01376	0.7
193.04968	1.4
195.02887	2.1
199.03862	1.1
202.02640	2.5
203.03360	8.0
205.04982	2.2
207.02916	3.4
209.04468	1.6
211.03839	0.8
215.03311	1.7
217.04860	1.1
219.02856	14.8
219.04768	1.0
220.03650	2.2
221.00980	0.7
221.04375	6.6
223.02226	0.7
227.03366	1.8
229.04930	1.4
230.02173	0.9
231.02852	35.5
232.03554	2.7
233.04402	2.1
235.02347	1.1
237.00301	0.8
241.05040	0.8
243.02852	1.2
245.00824	0.7
245.04460	2.2
247.02377	25.6
248.03049	1.2
253.05048	2.4
255.02867	4.3
257.04437	1.0
259.02356	8.0
260.03116	0.8
261.03943	2.0
265.04977	1.3
267.02887	0.7
267.06512	0.8
269.04572	1.0
271.02341	3.0
273.00372	1.0
273.03937	1.4
274.04480	0.7
277.05063	0.6
281.04437	2.5
283.02304	4.9
284.03207	0.8
285.03946	2.4
287.01895	1.4
293.04446	2.0
295.02612	1.4
295.06049	2.5
297.06281	1.0
299.02014	1.4
300.02747	0.8
301.03461	2.6
302.04175	1.0
305.04486	1.9
307.05881	0.8
309.03946	2.7
310.04340	0.7
311.01984	0.7
312.02499	1.1
313.03439	5.1
315.01559	0.9
315.07108	1.2
317.03165	0.7
319.04370	5.3
320.10605	0.7
321.03796	3.3
322.04538	1.2
323.01956	1.4
323.05536	1.9
325.03156	1.6
327.01160	1.1
329.02890	26.1
330.03641	1.9
333.04031	1.7
335.05542	1.5
337.03381	2.6
339.04819	0.8
341.03061	1.1
343.05182	0.7
345.03705	0.9
349.03403	2.7
350.04260	1.7
351.01459	0.7
351.04892	3.4
353.02643	1.3
357.02008	0.9
359.04022	7.4
361.03537	2.0
363.05179	2.1
364.02124	0.9
365.02875	12.3
366.03687	3.9
367.04492	1.2
369.02246	3.2
373.03497	2.0
377.02908	3.9
378.04004	0.8
379.00662	1.8
379.04657	2.7
381.02509	1.6
385.01941	2.9
389.03015	2.4
391.04752	2.8
393.02377	6.3
394.03189	12.1
395.04166	1.8
405.02243	3.4
406.02951	1.0
407.04004	7.5
413.06665	0.9
417.02420	0.8
419.04178	1.7
419.90060	0.7
421.01566	1.2
423.03644	0.8
429.02191	1.2
433.01642	3.0
435.03351	3.7
439.03223	1.1
447.03159	4.2
453.03833	1.2
457.05569	1.0
461.01511	2.5
463.03046	0.9
467.04245	0.7
469.05612	1.1
485.04941	1.8
489.00900	0.7
513.04395	2.9
525.04382	1.2
531.05841	1.2
541.04028	3.4
543.05585	2.2
553.04248	0.9
559.05200	2.8
569.03345	3.2
571.05042	22.2
572.05225	0.9
587.04535	100.0
588.04803	4.3
589.06354	1.1
597.02936	8.2
598.02985	0.8
605.05487	1.9
615.04028	35.2
616.04449	1.7
633.05219	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.5
53.03933	0.1
55.01855	0.5
55.05493	0.2
55.92200	0.1
57.53813	0.1
60.94228	0.1
65.03932	1.3
67.05486	0.4
68.99780	1.1
69.03429	0.3
69.73383	1.0
70.96164	0.1
71.04997	0.1
79.05473	0.3
81.03436	0.1
81.07040	0.2
83.04969	0.7
91.05450	0.5
93.03413	0.6
93.07043	0.2
95.04968	0.3
97.02877	0.4
99.06656	0.1
103.05463	0.1
105.03355	0.2
105.07021	0.1
107.04951	0.3
111.00787	0.6
111.04434	3.6
115.05434	0.3
119.04922	0.8
121.02847	1.0
122.03625	0.2
123.04430	2.0
127.03914	0.2
129.06929	0.1
133.02840	0.3
135.04387	0.4
137.05971	2.8
138.06284	0.2
139.03885	100.0
140.04218	1.2
143.04889	0.2
145.02803	0.3
145.06371	0.2
147.04391	0.8
149.06027	0.6
150.06708	0.2
151.03885	4.3
151.07509	0.2
153.01785	0.4
153.05431	0.2
159.04416	0.4
161.05966	0.3
163.03877	4.3
163.05168	0.3
164.04643	0.1
165.05516	0.8
165.06776	0.2
167.06998	0.3
173.06006	0.5
175.03905	0.3
175.07523	0.2
177.05499	0.5
177.06953	0.3
179.07001	0.5
181.04945	0.6
186.03105	0.6
187.03897	0.2
188.04616	0.2
189.05461	0.2
191.03391	0.4
191.08604	0.2
194.07312	0.4
201.05469	1.3
203.06976	0.6
204.05638	0.1
205.04842	1.5
205.06586	1.0
206.07039	0.1
207.02916	0.2
207.06413	0.3
209.04399	2.1
209.06137	0.2
211.07666	0.1
221.06013	0.5
222.06711	1.0
223.07474	0.2
227.07047	0.2
229.04855	0.2
233.06071	1.1
234.06723	0.2
235.07571	0.2
237.09062	0.9
239.06963	0.3
247.05511	0.2
247.07782	0.2
249.05457	0.5
249.09131	0.1
250.06190	1.2
251.06981	0.4
253.08403	0.2
261.05475	0.3
264.07889	0.5
265.08566	1.8
266.09247	0.1
267.06485	0.3
271.05917	0.2
272.10440	0.2
275.06979	0.3
277.04816	0.2
278.05606	0.7
279.06555	0.2
279.10083	0.3
282.08823	0.3
287.05466	0.8
289.07050	5.3
292.07294	1.4
293.08029	1.9
294.08792	0.2
295.09573	0.2
297.07913	0.2
297.11276	0.4
299.09140	0.2
305.07938	0.1
307.09637	2.7
310.08350	0.2
325.10657	6.4
326.10852	0.3
327.12296	0.4
337.10751	0.3
339.08670	0.4
341.06610	0.1
343.11816	0.8
351.08698	0.3
357.09741	0.5
363.08603	0.1
493.14972	0.4
653.11285	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	631.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.5
53.03933	0.1
55.01855	0.5
55.05493	0.2
55.92200	0.1
57.53813	0.1
60.94228	0.1
65.03932	1.3
67.05486	0.4
68.99780	1.1
69.03429	0.3
69.73383	1.0
70.96164	0.1
71.04997	0.1
79.05473	0.3
81.03436	0.1
81.07040	0.2
83.04969	0.7
91.05450	0.5
93.03413	0.6
93.07043	0.2
95.04968	0.3
97.02877	0.4
99.06656	0.1
103.05463	0.1
105.03355	0.2
105.07021	0.1
107.04951	0.3
111.00787	0.6
111.04434	3.6
115.05434	0.3
119.04922	0.8
121.02847	1.0
122.03625	0.2
123.04430	2.0
127.03914	0.2
129.06929	0.1
133.02840	0.3
135.04387	0.4
137.05971	2.8
138.06284	0.2
139.03885	100.0
140.04218	1.2
143.04889	0.2
145.02803	0.3
145.06371	0.2
147.04391	0.8
149.06027	0.6
150.06708	0.2
151.03885	4.3
151.07509	0.2
153.01785	0.4
153.05431	0.2
159.04416	0.4
161.05966	0.3
163.03877	4.3
163.05168	0.3
164.04643	0.1
165.05516	0.8
165.06776	0.2
167.06998	0.3
173.06006	0.5
175.03905	0.3
175.07523	0.2
177.05499	0.5
177.06953	0.3
179.07001	0.5
181.04945	0.6
186.03105	0.6
187.03897	0.2
188.04616	0.2
189.05461	0.2
191.03391	0.4
191.08604	0.2
194.07312	0.4
201.05469	1.3
203.06976	0.6
204.05638	0.1
205.04842	1.5
205.06586	1.0
206.07039	0.1
207.02916	0.2
207.06413	0.3
209.04399	2.1
209.06137	0.2
211.07666	0.1
221.06013	0.5
222.06711	1.0
223.07474	0.2
227.07047	0.2
229.04855	0.2
233.06071	1.1
234.06723	0.2
235.07571	0.2
237.09062	0.9
239.06963	0.3
247.05511	0.2
247.07782	0.2
249.05457	0.5
249.09131	0.1
250.06190	1.2
251.06981	0.4
253.08403	0.2
261.05475	0.3
264.07889	0.5
265.08566	1.8
266.09247	0.1
267.06485	0.3
271.05917	0.2
272.10440	0.2
275.06979	0.3
277.04816	0.2
278.05606	0.7
279.06555	0.2
279.10083	0.3
282.08823	0.3
287.05466	0.8
289.07050	5.3
292.07294	1.4
293.08029	1.9
294.08792	0.2
295.09573	0.2
297.07913	0.2
297.11276	0.4
299.09140	0.2
305.07938	0.1
307.09637	2.7
310.08350	0.2
325.10657	6.4
326.10852	0.3
327.12296	0.4
337.10751	0.3
339.08670	0.4
341.06610	0.1
343.11816	0.8
351.08698	0.3
357.09741	0.5
363.08603	0.1
493.14972	0.4
653.11285	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14933	2.6
53.03936	7.1
55.01846	3.9
55.05511	13.7
57.03400	3.2
57.30464	2.5
65.03912	2.5
67.05491	11.6
68.99767	7.9
69.03432	13.5
69.07069	4.7
71.05001	6.8
79.05489	11.3
81.03412	4.9
81.07066	15.7
83.01318	7.2
83.04977	74.0
85.02886	2.9
91.05476	100.0
91.06055	5.2
93.07037	11.3
95.04948	10.5
95.08612	5.2
97.02879	3.7
97.06498	8.2
98.20687	7.3
99.04443	7.8
101.06094	3.4
103.05456	10.6
105.03385	37.0
105.07023	9.3
107.04981	3.7
107.08588	6.1
109.06508	6.2
109.10146	4.7
111.04400	3.1
111.08069	3.1
115.05450	23.2
117.06989	8.3
119.08556	4.6
120.22697	2.7
121.02826	3.5
121.06491	12.1
121.10133	3.0
123.04381	5.9
123.08043	4.3
125.05984	51.5
127.03907	5.6
129.07014	16.6
131.04930	15.0
131.08566	5.7
132.91541	2.6
133.06432	3.4
133.10094	4.5
135.04327	3.4
137.05956	4.8
139.03987	3.7
139.07556	12.0
141.05453	9.7
141.06955	6.6
143.06989	11.3
143.08600	3.3
145.10060	3.2
147.08060	4.0
147.11604	3.0
149.05984	12.9
150.71396	2.9
151.03886	6.8
151.07539	5.5
152.06187	8.4
153.01788	7.0
153.06961	6.1
157.06491	5.6
161.06006	7.8
163.03952	3.2
163.07497	4.3
165.05612	4.7
165.06989	13.4
166.07788	5.2
167.07034	15.0
167.08514	70.9
169.05045	4.5
169.06441	4.7
169.08665	4.0
173.06012	2.8
175.07465	3.6
177.05478	12.6
177.12648	2.7
178.07748	7.9
179.03369	3.8
179.07056	6.0
179.08553	8.7
181.04944	18.1
181.06480	9.1
181.10072	5.4
183.08009	5.2
185.04454	24.3
185.05959	4.3
187.03784	6.2
191.06911	8.1
191.08556	20.6
192.04167	6.2
192.09435	3.5
193.10103	10.5
195.06506	12.4
197.05876	5.1
201.05421	3.8
202.07771	7.0
203.06940	6.2
203.08607	9.8
204.09268	6.0
205.04938	6.0
205.10184	15.0
207.06532	7.8
207.11777	4.6
209.06018	5.1
211.05972	12.6
211.07761	3.3
213.07353	3.6
215.06784	3.8
215.08589	39.0
216.09351	5.8
217.10143	17.9
219.06360	6.2
219.08257	5.7
220.07277	24.7
221.08112	10.3
223.06003	9.5
226.07751	4.3
228.09349	10.7
229.10121	15.7
230.03941	3.7
231.06116	5.8
231.08339	14.7
231.11708	3.7
233.09599	10.5
235.07516	5.7
239.08543	5.3
240.09233	5.2
241.10172	8.9
243.11885	2.8
247.05931	19.6
252.09344	11.1
253.10095	9.3
255.08144	13.8
255.11838	5.3
256.08994	3.4
257.09573	15.0
258.10443	5.0
259.11206	23.9
261.09207	6.9
265.07028	9.6
265.10095	10.4
267.11658	4.3
268.08783	3.8
269.09644	6.8
271.09741	11.8
273.09045	9.3
275.10645	6.7
277.09894	5.9
277.12433	6.6
278.10635	3.6
279.11707	3.9
281.09543	6.4
283.11090	3.8
285.08987	11.2
285.11697	5.6
287.10715	7.5
289.07034	9.3
290.10904	3.2
291.11798	3.2
293.09747	4.8
293.13202	7.1
294.10266	3.0
295.07825	4.3
295.11145	17.1
296.12027	2.9
297.08691	5.4
297.11530	5.9
299.10300	4.2
301.08112	3.0
302.10699	3.6
303.10150	6.2
305.09546	2.9
305.13217	4.5
307.08041	3.3
307.11160	6.3
308.12115	3.7
309.09222	6.9
309.12766	4.8
311.10596	11.5
311.14148	4.3
313.12347	3.3
317.13309	3.1
319.11353	4.2
321.09067	4.1
321.12683	9.3
323.10718	5.0
325.11417	3.2
327.10223	12.1
329.11438	3.9
335.10678	4.5
337.11951	8.9
337.15927	3.4
338.12930	3.1
339.10062	7.2
339.13794	9.4
341.14941	3.8
343.08038	5.9
343.11813	5.3
345.11353	3.7
347.14282	6.3
348.11606	3.1
349.12094	3.6
353.11310	11.1
363.13943	14.8
365.15427	23.2
367.13217	22.1
371.11191	31.9
379.13284	5.2
381.10651	6.1
381.15173	17.5
383.12408	9.5
383.16406	25.9
385.13339	14.2
391.13278	7.5
395.11087	6.7
397.13062	10.7
399.15759	8.4
405.14676	4.8
409.14380	25.0
413.12399	12.5
417.14734	3.9
423.15845	9.2
425.13828	4.9
427.15302	10.8
431.13290	6.2
433.14255	12.2
445.16016	9.5
451.15402	58.0
459.15652	4.9
463.15381	14.4
469.16486	26.0
487.15323	8.5
487.26050	2.9
497.17328	4.2
505.16162	20.3
515.18622	7.5
523.17340	4.0
533.19525	18.9
547.21246	8.5
551.20416	16.9
557.19446	13.2
575.20673	40.6
593.21631	15.4
629.28510	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	629.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01855	4.9
55.05500	8.9
55.84681	2.3
57.53106	2.2
59.04987	3.3
65.03925	4.9
66.09386	2.4
67.05500	14.9
68.99786	8.8
69.03423	11.6
69.07059	3.1
69.72968	2.6
71.04957	3.3
76.46685	2.5
79.05473	10.5
81.03419	3.4
81.07053	18.8
83.01318	8.9
83.04979	69.1
90.57970	2.5
91.05478	100.0
93.07028	8.8
95.04955	11.6
95.08588	7.6
97.02853	5.1
97.06506	6.5
99.04451	5.1
103.05477	18.7
105.03382	38.8
105.07024	11.7
107.04948	4.1
107.08559	4.4
109.06503	8.7
109.10165	3.0
111.04446	3.0
115.05465	32.0
117.07014	8.3
119.08544	7.0
121.02844	3.8
121.06496	9.1
123.04449	3.6
123.08070	6.5
125.05983	57.0
127.07600	3.4
128.06219	3.6
129.06970	14.4
131.04922	43.9
131.08569	4.0
133.06494	3.4
133.10143	4.3
135.04376	4.4
135.08025	3.2
139.07523	10.4
141.05444	8.3
141.06973	5.0
143.04889	3.7
143.07007	9.2
145.06468	5.6
149.02226	3.9
149.05980	11.3
151.03935	5.8
151.07535	27.2
152.06204	6.2
153.01852	3.5
153.05396	3.2
153.06931	7.3
157.06497	6.4
161.05998	6.7
163.07469	4.0
165.05582	3.6
165.06985	12.4
166.07707	6.3
167.03433	2.8
167.07013	17.3
167.08560	67.9
169.05025	3.9
169.06407	4.2
169.08606	69.7
171.04373	3.1
173.05931	5.7
175.03848	4.9
175.07506	4.4
177.05447	10.3
178.07758	9.7
179.07069	6.4
179.08553	8.4
181.04926	17.5
181.06502	9.3
181.10078	9.0
183.08017	5.1
185.04454	80.5
185.05949	4.6
187.03923	7.1
189.05507	3.2
190.07776	2.6
191.06975	7.9
191.08562	25.4
192.04193	4.3
193.10059	18.2
195.06523	27.4
197.05824	3.4
199.07475	4.2
201.05464	2.8
202.07771	8.0
203.06920	6.3
203.08560	9.7
204.09329	4.7
205.04871	7.3
205.08585	2.7
205.10159	20.1
207.06468	7.1
207.08194	4.1
211.05916	12.9
213.07497	9.1
215.08568	41.1
216.09305	9.3
217.10109	11.4
219.06313	4.2
219.08060	9.7
220.07253	18.5
221.08009	8.9
223.05997	10.8
227.08745	3.3
228.09346	9.6
229.10211	17.5
231.06213	5.5
231.08354	16.2
231.11676	7.4
233.09624	13.9
239.08505	8.5
240.09337	4.7
241.10150	14.6
245.09686	7.0
247.05989	10.3
247.11067	3.4
252.09341	10.7
253.10052	8.0
254.11073	2.9
255.08072	16.4
255.11899	3.2
257.09631	17.6
258.10315	5.6
259.07645	3.3
259.11169	32.5
261.09113	8.9
265.07150	10.3
265.10141	14.2
266.10941	4.3
267.11554	7.2
268.08835	5.5
269.09619	9.6
270.10593	3.2
271.09543	36.5
273.09149	4.7
275.10703	9.7
276.09149	3.2
277.12476	5.4
278.10880	7.6
279.11841	3.5
281.09644	4.4
283.10803	6.8
285.08994	11.1
285.11703	4.6
287.10703	4.5
289.07080	5.5
289.10065	4.7
293.09500	8.7
293.13168	5.0
295.07697	3.4
295.11157	12.3
295.14294	3.0
297.11636	4.8
299.10178	5.2
299.13272	4.6
301.08453	3.1
301.12183	4.3
303.10172	9.2
307.11200	4.5
308.11905	3.5
309.09097	7.1
309.12558	4.7
311.10562	10.8
311.13989	6.1
313.08099	3.9
319.11032	5.1
320.11948	3.0
321.08817	3.3
321.12708	6.5
325.10727	42.1
327.10156	13.3
331.12000	3.4
335.10510	3.7
335.14496	4.1
337.12088	8.3
339.10043	5.3
339.13705	13.1
343.11548	5.1
347.14224	3.9
349.12164	6.4
350.12634	3.6
351.13684	5.5
353.11462	9.5
357.14941	5.1
363.14050	14.2
365.11569	4.9
365.15411	23.3
367.13272	23.4
371.11255	23.5
373.11746	3.2
379.13300	6.1
381.10626	4.8
381.15176	22.6
383.12189	12.4
383.16794	23.7
385.13031	11.7
389.11389	4.2
391.13290	7.7
395.11224	4.1
397.13660	8.1
399.15833	9.2
405.14563	3.9
407.12820	6.1
409.14496	22.6
413.12277	10.5
423.15808	9.3
425.13528	7.8
427.15540	11.8
431.13062	7.4
433.14160	10.2
435.16425	4.0
441.15909	3.7
443.14697	3.3
445.15717	8.7
451.15390	55.5
463.15115	8.9
469.16379	31.9
487.16949	8.7
505.16077	17.7
515.18506	9.8
523.18109	8.7
529.19708	4.5
533.19312	18.9
547.20819	8.3
551.20782	16.1
557.19324	11.1
575.20667	36.5
586.34900	2.8
593.21698	21.0
611.23138	12.5
614.69464	2.8
648.42407	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	629.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03922	0.9
55.01867	0.3
55.05488	0.7
65.03928	0.8
67.01858	0.3
67.05495	2.3
67.73861	0.2
68.99770	2.1
69.03423	2.1
69.07050	0.7
70.04193	0.2
71.01340	0.3
71.04673	0.2
71.04985	2.3
71.72600	0.4
73.35059	0.2
74.96399	0.2
77.03961	0.3
79.05478	3.1
79.66935	0.3
81.03391	0.9
81.07048	18.3
82.07375	0.3
83.01334	15.3
83.04971	3.9
83.08612	0.3
83.94204	0.2
85.06508	0.3
91.05472	16.1
93.03384	0.3
93.07027	2.0
95.04972	1.7
95.08587	0.8
97.02863	1.0
97.06530	2.6
99.04445	19.7
99.08052	1.1
100.04801	0.3
103.05457	7.7
105.03392	2.0
105.04559	0.3
105.07020	11.3
105.07727	0.6
107.04917	1.3
107.08548	0.4
109.06503	7.6
111.04437	2.7
111.07996	0.3
112.05238	0.3
113.05962	0.5
115.05444	4.6
115.07516	0.2
115.63132	0.3
117.06982	0.5
121.02831	0.3
121.06509	1.2
123.04410	0.5
123.08037	1.1
124.05189	0.3
125.05977	7.4
125.06898	0.4
127.07542	17.0
129.06984	1.1
131.04913	31.0
132.05199	0.5
133.10139	0.5
135.04411	0.7
137.05917	0.4
139.02866	0.4
139.03883	5.6
139.07523	0.8
141.05460	0.4
145.06479	0.4
145.10135	0.3
149.05966	5.6
151.07529	3.2
152.04665	4.3
153.05444	5.3
155.04912	1.2
155.08557	0.4
157.01311	1.9
157.04948	1.0
157.06462	0.4
165.05550	0.4
165.06932	0.8
167.03403	1.1
167.07021	3.3
167.08557	0.8
169.05022	0.3
169.08588	10.1
171.06584	0.3
173.05968	1.0
175.03891	0.4
177.05461	5.3
178.06360	0.3
178.07755	1.0
179.08545	0.6
180.04109	0.3
181.04932	2.4
181.06429	0.5
183.06476	0.7
183.07994	0.4
185.04439	34.7
186.05161	0.8
190.07761	0.3
191.08527	6.0
192.09195	0.4
193.10127	7.4
195.06511	100.0
196.06876	1.2
197.09595	1.0
198.05350	0.3
199.05995	1.5
201.05417	0.9
202.07806	0.5
203.08704	0.3
204.09167	0.3
205.10104	0.7
206.05627	0.3
207.11810	0.5
209.04419	5.1
211.05821	0.3
213.07558	47.0
214.07854	0.7
214.09850	0.6
215.08466	1.1
215.10593	0.9
216.09471	0.4
217.10237	0.3
218.07378	0.4
219.08046	17.1
220.08458	0.4
221.08064	0.8
225.05559	0.4
225.09116	0.9
229.08427	0.5
231.08046	0.3
233.09612	1.0
239.10663	0.6
243.06488	7.6
243.10100	2.2
244.10771	0.4
251.10709	0.3
253.08572	0.8
257.09561	0.3
257.11826	1.7
259.11139	0.6
261.09293	0.5
271.09625	16.3
272.10321	1.6
277.12280	0.4
280.10593	0.2
281.11743	0.7
283.09662	0.3
284.10321	0.7
285.08682	0.4
285.11377	0.6
286.11896	1.1
297.11209	1.9
297.69516	0.3
298.12091	0.7
299.12750	67.5
300.13086	1.4
303.10056	0.4
313.10675	1.3
314.11310	0.5
321.11118	0.5
325.10513	0.3
327.10272	0.3
331.11679	0.4
347.12775	0.6
369.14819	0.4
387.15881	26.8
388.16370	0.8
391.12115	0.3
397.14114	0.3
405.57443	0.3
429.16721	0.5
447.17841	0.5
451.15579	0.4
497.15857	0.4
505.16846	0.3
523.17548	0.5
541.18298	0.8
551.20435	1.2
569.21649	28.0
570.21942	0.7
629.23541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01863	1.6
55.05508	4.3
57.03430	1.5
65.03941	2.9
66.31134	0.9
67.05505	4.9
67.97948	1.0
68.99798	2.1
69.03426	7.6
69.07070	1.8
71.01348	3.1
71.04980	5.5
71.30576	2.2
75.04427	1.1
79.05495	2.1
81.03410	1.6
81.07056	7.0
83.04980	13.9
83.08588	1.4
85.02908	9.5
90.87630	1.0
91.05476	4.7
93.03387	1.1
93.07037	2.9
94.04131	0.9
95.04964	6.1
95.08601	5.3
97.06556	0.9
97.10193	0.9
99.04452	1.5
101.05991	0.9
103.05446	1.1
105.07024	1.6
107.04945	28.4
107.08606	3.6
109.02898	0.9
109.10146	2.3
110.87042	0.9
111.00814	1.9
111.04449	8.6
114.78916	1.1
115.04389	0.9
116.51222	0.9
118.73563	0.9
119.04955	9.7
119.08562	1.0
120.05705	15.1
121.02854	4.3
121.06493	3.4
121.10144	2.7
123.04434	17.9
123.10826	0.9
123.11722	3.6
127.03925	1.7
129.05449	7.0
129.60478	0.9
131.04941	0.9
133.10117	1.4
137.05959	6.2
137.13229	1.4
139.03891	100.0
139.11183	1.3
147.04420	10.3
147.08076	1.1
148.05151	1.7
149.05972	3.4
149.13248	2.4
151.03893	11.1
152.87326	0.9
153.01843	7.7
153.05479	4.0
159.11697	1.0
161.05942	2.1
163.03928	11.1
165.01874	1.0
165.05470	12.5
167.07059	3.3
173.05855	0.9
177.05469	3.7
181.04974	1.9
191.03380	3.1
193.04930	1.1
203.07088	1.7
205.04936	8.9
217.04951	1.0
217.08476	1.0
219.02870	3.4
233.04460	7.8
234.05064	1.3
243.02930	1.5
244.03653	1.1
245.04326	1.6
261.03946	10.8
289.03470	9.4
289.07077	13.1
290.04245	1.2
293.10226	1.4
294.11017	2.4
295.11841	5.2
301.03436	2.5
301.06998	17.2
305.24756	3.9
317.02902	44.7
318.03687	16.8
319.04453	29.3
323.25909	2.3
329.02899	2.2
331.04724	1.0
343.04660	1.7
369.89050	1.0
410.06281	1.7
411.07153	2.1
432.14844	1.1
437.08899	4.5
443.27631	1.1
465.08224	18.8
483.09183	9.2
495.08557	1.1
496.18301	1.0
575.11932	3.8
593.12701	1.3
611.13843	9.6
625.18695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46160	0.7
52.51722	0.6
53.35241	0.7
53.59987	0.7
55.05510	1.0
57.03432	4.4
67.05488	1.4
68.99756	1.1
69.03420	4.1
71.01337	0.9
71.04988	29.9
71.39925	1.4
75.04456	0.9
76.02210	1.1
79.05460	1.2
81.07052	1.2
83.04964	2.5
85.02900	30.2
85.26407	0.8
87.04459	0.9
91.05472	4.0
93.07031	1.3
95.04960	5.4
95.08604	1.0
95.30798	0.7
103.05444	1.2
107.04950	3.3
109.02863	2.8
111.00800	1.4
111.04424	1.9
112.24772	0.7
112.26627	0.7
119.04942	11.1
121.02850	0.8
121.06493	0.9
123.04424	13.6
126.03162	0.7
129.05473	7.6
135.04443	1.1
137.02350	1.5
137.05968	1.9
139.03893	3.5
147.04398	8.6
147.06445	0.9
148.04776	1.4
151.03850	0.9
153.01830	10.4
163.03857	2.0
165.01872	1.4
165.05501	5.3
166.02678	0.8
167.07037	2.0
171.57249	0.8
177.05446	1.1
179.03389	1.0
181.04971	2.8
187.10062	0.8
205.04974	1.5
206.05783	2.0
208.03609	1.9
217.04964	2.1
219.02890	12.3
220.03641	0.7
233.04440	6.4
234.05164	1.4
243.02859	1.3
244.03558	1.8
245.04491	2.7
247.02438	1.6
257.04474	1.1
261.03973	3.2
269.17511	1.0
273.03922	2.2
285.04068	0.8
285.16937	0.8
289.03357	5.9
290.04163	4.7
297.03769	0.9
301.03479	3.0
303.05011	2.6
313.03421	0.8
315.04932	1.2
317.02872	2.3
318.03699	69.0
319.04471	36.2
329.02893	2.6
330.03799	2.4
331.04404	2.4
332.04968	1.1
341.03210	1.1
342.03598	1.6
343.04480	4.5
346.85510	0.7
361.05728	1.0
385.05530	2.0
411.06995	1.0
437.08740	1.0
461.08768	0.8
465.08112	1.4
483.09210	100.0
484.09653	3.3
493.07709	1.4
495.08984	1.0
507.09326	3.4
525.10052	2.5
531.18634	0.8
537.10156	2.2
549.10114	2.7
593.13232	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
53.12190	1.3
55.05515	7.6
57.03398	1.3
61.02913	2.4
69.03426	81.9
70.89188	4.2
71.01336	3.9
71.04987	12.2
71.71817	1.2
83.04974	41.6
85.02885	8.8
91.05462	5.1
95.04947	7.2
97.02882	1.7
99.04443	8.5
107.04964	8.2
111.00812	1.9
111.04436	25.1
119.04952	13.2
123.04413	18.7
127.03823	1.3
129.05469	39.6
137.02321	2.3
139.03867	6.0
147.04396	100.0
149.05901	1.4
151.03923	2.4
152.04303	1.4
153.01830	13.4
165.01842	3.0
165.05507	5.4
167.07022	4.1
182.72588	1.2
189.05702	1.7
189.07579	19.1
201.05511	1.5
213.09169	2.3
217.04938	3.1
219.10063	2.3
227.17841	1.2
245.04486	4.6
273.03937	3.5
293.10101	9.7
319.04477	76.6
320.04971	3.0
323.09058	1.4
331.04443	3.9
361.05392	4.5
429.08234	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	628.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
54.55720	0.4
55.01852	0.8
55.05500	1.9
57.03428	3.8
57.07063	0.7
61.02917	4.8
64.88100	0.4
65.03929	0.6
67.05498	14.5
69.03409	1.1
69.07056	4.2
69.47266	1.7
69.47696	1.9
71.04975	1.4
73.02904	2.0
79.05492	5.8
80.09070	0.4
81.03399	0.8
81.07050	18.3
83.04966	1.4
83.08621	3.8
85.02899	5.4
85.06505	1.0
91.03947	3.9
91.05493	3.3
93.07034	14.7
95.04951	1.5
95.08586	5.0
97.02878	2.3
97.06523	2.8
97.10113	0.4
98.21567	0.4
99.04446	0.6
99.08067	1.2
105.07000	1.3
106.02456	0.3
107.04935	0.5
107.08579	6.9
109.06480	0.7
109.10162	0.8
111.08059	1.8
113.09647	0.4
117.07005	2.4
119.08556	0.5
121.10133	5.5
123.11624	0.5
127.03893	1.0
127.07497	0.4
131.08575	2.1
133.10104	2.3
135.11684	3.3
139.03850	1.4
139.11212	0.5
145.04967	1.5
147.11676	0.6
149.09573	0.6
149.13243	13.1
159.11674	6.0
163.06020	2.7
165.16954	0.4
167.07019	0.8
177.12737	3.3
181.04932	0.5
195.13795	4.8
213.14838	0.8
224.41228	0.4
269.17453	100.0
270.17889	1.1
388.78821	0.4
413.21732	1.3
418.25394	0.4
431.22763	2.3
579.29120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.9
53.03939	5.5
53.78587	1.1
55.01869	13.2
55.05508	35.5
57.03438	9.3
57.07061	5.1
57.28565	1.1
57.40405	1.2
57.77257	1.1
59.04976	1.5
65.03927	7.6
67.05499	99.1
69.03418	2.9
69.07066	32.0
69.84932	3.1
69.85356	4.4
71.04987	5.2
71.08600	1.6
71.53823	1.3
74.11895	1.2
77.03937	1.6
79.05487	74.9
80.05862	1.5
81.03410	3.3
81.07050	100.0
82.07381	1.2
83.04968	7.4
83.08614	18.5
85.06523	3.3
91.05473	55.7
93.07035	70.0
95.04962	13.4
95.08600	60.5
97.06526	20.2
97.10161	11.1
99.08086	2.6
103.05474	2.4
105.04530	2.1
105.07019	50.4
107.04945	13.0
107.08585	49.0
109.06515	9.0
109.10143	32.0
111.08081	4.8
111.11714	1.4
115.05388	1.2
117.07005	21.9
117.65224	1.2
119.08572	36.8
121.06496	3.6
121.10133	32.0
123.08058	6.3
123.11696	10.0
125.09608	7.4
128.06218	2.0
129.06995	9.7
130.07787	2.0
131.08553	28.9
133.06541	1.6
133.08623	1.7
133.10126	31.5
135.08060	4.9
135.11678	17.9
137.09645	4.5
137.13243	1.3
137.69373	1.1
139.11198	3.1
141.06972	3.7
143.08563	8.7
145.10110	27.4
147.08047	2.3
147.11679	21.5
149.09604	16.2
149.13232	7.7
151.11163	2.7
153.12808	1.3
155.08553	3.9
157.10098	9.9
159.08087	1.2
159.11685	20.7
161.09637	2.4
161.13237	10.0
163.11183	6.6
163.14812	3.9
165.09148	1.7
165.12758	5.1
167.08629	2.0
169.10095	7.0
171.11700	8.5
173.09479	1.4
173.11852	2.0
173.13261	13.7
175.11232	3.5
175.14830	3.5
175.96106	1.2
177.12793	1.8
177.16513	1.9
179.14314	1.9
181.10146	2.3
183.11682	6.0
185.13290	6.1
187.13394	1.7
187.14793	7.5
189.11212	4.6
191.14276	1.4
193.12177	1.4
195.11800	2.2
197.13329	5.3
199.14828	4.8
201.16422	4.5
205.15865	1.5
207.13828	1.9
209.13327	1.7
211.14900	2.6
213.16435	2.2
215.17963	2.7
219.17380	2.6
223.14967	2.1
225.16597	1.9
227.12769	5.0
229.14328	1.7
229.19550	3.0
239.18019	4.9
241.19598	2.1
243.20990	1.5
247.20567	2.6
257.18948	9.1
259.20499	5.4
261.22049	7.7
267.15927	2.5
273.18637	2.1
275.20032	56.0
277.21695	2.5
293.21133	8.9
317.24854	1.8
331.22720	1.7
333.24063	2.9
335.25778	33.4
349.23721	20.2
367.30057	2.6
383.33200	1.3
515.37256	2.9
517.40668	2.7
535.41156	5.4
553.42505	3.8
555.40564	1.8
590.05713	1.4
591.44025	2.0
609.45117	38.9
610.45856	2.5
627.46185	59.4
628.46912	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	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.4
53.03933	5.3
55.01865	15.9
55.05508	20.6
57.03435	18.5
64.98103	1.9
65.03947	3.3
67.05501	75.0
69.07061	29.6
79.05489	55.3
81.03397	5.1
81.07052	71.5
83.04964	5.3
83.08606	9.5
85.06516	3.6
91.05473	61.2
93.07039	61.2
95.01302	4.5
95.04952	9.4
95.08596	49.9
97.06529	28.3
97.10168	4.3
99.04462	4.0
103.05426	2.2
105.06337	4.2
105.07020	60.3
107.04977	12.0
107.08591	27.7
109.06562	4.8
109.10140	20.6
110.06103	2.0
117.06992	17.6
119.08563	35.6
119.42281	2.0
121.06503	4.9
121.10135	19.2
123.08060	5.4
123.11739	4.4
125.09612	3.5
125.13165	2.4
129.06972	3.5
131.08568	28.8
133.10118	31.6
135.08035	5.3
135.11685	15.2
137.09583	4.5
143.08511	4.7
145.10104	16.8
147.11665	11.8
149.09595	6.1
149.13217	4.0
155.08493	2.9
157.10106	4.3
159.11659	12.7
161.13196	6.1
163.11160	2.9
171.11595	2.3
173.13269	6.0
174.47415	2.0
175.48102	2.3
179.14317	9.4
185.13141	3.6
192.65462	2.4
201.16307	5.0
203.14343	4.1
219.17424	100.0
229.90353	2.5
257.19006	8.2
261.09241	2.2
275.20038	57.2
291.19595	3.2
293.21265	3.3
296.38635	2.2
335.25781	83.8
349.23727	17.8
471.51776	2.6
532.99469	2.6
548.96210	2.2
609.45050	60.1
627.45514	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	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.5
55.01866	13.4
55.05280	2.7
55.05509	34.0
57.03443	11.0
57.07051	4.6
64.84443	2.2
65.03917	6.7
67.05499	95.5
69.07060	26.7
69.44071	21.5
71.04982	5.8
71.08616	3.5
79.05029	3.7
79.05490	70.5
80.57027	2.2
81.03392	4.0
81.07050	100.0
83.04958	5.0
83.08601	17.3
83.78242	2.2
85.06517	4.5
91.05472	57.0
93.07035	70.0
95.04945	13.3
95.08595	63.2
97.06527	20.7
97.10178	7.2
99.08095	4.8
105.04476	2.3
105.07022	47.1
107.04942	8.4
107.08584	39.8
109.06523	12.0
109.10161	28.2
111.08093	3.9
117.06992	17.1
119.07745	2.9
119.08566	43.1
121.06509	3.9
121.10143	31.3
123.08055	5.0
123.11678	11.2
125.09618	5.7
129.06976	9.0
131.08540	28.5
133.10115	31.2
135.08051	5.2
135.11687	16.2
137.09645	6.3
141.07014	3.2
142.41391	2.1
143.08543	9.0
145.10118	26.9
147.07985	2.4
147.11674	25.5
149.09589	15.6
149.13248	9.4
151.11150	7.2
153.85307	2.3
155.08556	7.3
157.10161	10.3
159.11691	17.8
161.09575	2.2
161.13235	11.4
163.11165	9.2
163.14809	2.5
165.12735	4.2
167.08783	2.0
169.10106	4.7
171.11691	7.1
173.13264	7.7
183.11682	5.4
185.13200	7.1
187.14845	5.1
189.11174	2.6
197.13185	6.3
199.14761	4.1
201.03319	2.3
209.15208	2.6
227.12794	2.8
229.19510	5.1
239.17921	5.6
239.83302	2.3
241.19568	2.1
247.20523	4.2
257.18951	8.7
259.20447	4.7
261.22110	5.1
267.15976	3.7
275.20041	50.1
277.21713	2.3
279.16010	2.6
286.09308	2.4
291.19391	2.6
292.19946	3.0
293.21136	5.6
335.25775	32.4
349.23605	19.0
400.50696	2.6
487.46771	2.4
517.40521	2.5
529.38159	3.4
534.34937	4.0
535.41156	4.7
555.39825	2.2
561.51563	2.7
600.43726	2.4
609.45038	37.2
627.46338	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	627.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66444	0.6
51.99140	0.6
53.52287	0.5
55.01868	0.6
57.03419	2.0
61.02922	10.0
62.84940	0.5
68.99773	1.3
69.03413	2.1
71.04986	5.4
71.12154	1.1
71.12515	0.6
73.02898	3.0
81.03406	1.6
85.02898	20.6
91.03949	7.9
97.02888	6.1
109.02853	1.6
111.00795	2.3
111.04443	0.7
115.03895	0.8
121.02854	1.2
127.03905	3.9
129.05450	1.9
137.02316	4.2
139.03905	0.7
145.04932	3.4
149.02412	0.7
153.01816	7.4
163.05965	2.1
165.01793	3.7
177.71303	0.6
179.03334	0.7
183.03029	1.2
195.02721	0.6
201.05481	1.6
217.05095	1.2
229.05038	4.3
245.04553	1.9
247.06247	0.7
250.52217	0.6
257.04504	3.0
273.03870	1.9
285.03864	0.9
290.03970	0.6
301.03421	1.0
303.04977	100.0
304.05289	2.0
315.04849	2.8
319.04462	42.1
320.04877	0.7
327.04865	0.7
331.04498	1.3
341.06442	1.1
343.04483	1.6
345.06003	3.1
361.05524	2.7
369.06058	2.0
369.41183	0.6
381.57269	0.7
385.05612	1.1
411.07385	1.0
421.52896	0.8
429.08102	1.7
447.09106	1.8
465.10233	3.8
481.09778	7.1
539.83563	0.6
588.92535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1548
Annotation	Myricetin 3-neohesperidoside
Peak:m/z	Relative Intensity
55.01880	0.6
55.05484	0.6
57.03436	3.0
61.02905	0.8
68.99784	0.8
71.04984	23.8
71.15979	0.5
75.04469	1.1
77.79586	0.4
83.04980	0.6
85.02895	24.6
87.04450	0.5
97.02883	0.7
109.02810	0.5
111.00795	2.6
111.04452	0.6
127.03921	0.7
129.05460	6.1
137.02336	2.1
139.03896	0.5
147.06493	0.9
153.01801	8.0
153.02936	0.6
165.01826	2.8
166.02626	0.5
179.03387	1.6
183.02866	0.8
189.05450	0.6
203.03403	0.7
217.04961	2.2
229.05003	0.8
243.46767	0.4
245.04535	3.8
255.02829	0.5
263.05447	0.7
273.03928	3.3
290.04123	0.9
301.03500	1.0
303.04962	10.1
319.04449	100.0
320.04840	3.0
361.05353	0.9
465.10208	1.2
481.09760	15.9
482.10046	1.2
550.91180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1552
Annotation	Gossypetin 7-glucosyl-(1->3)-rhamnoside
Peak:m/z	Relative Intensity
51.96434	1.0
53.03945	1.3
55.01865	2.5
55.05503	9.5
57.03438	8.3
61.02911	5.2
64.99880	1.1
68.99793	1.1
69.03423	14.3
71.04580	1.4
71.04982	23.2
71.70596	1.0
73.02901	3.1
75.04469	3.5
81.03418	6.3
82.47060	1.0
83.04459	2.5
83.04974	67.2
85.02896	82.0
87.04434	2.1
87.69457	0.9
88.29089	1.0
91.03965	2.3
97.02888	17.1
99.04459	4.6
101.06008	2.3
103.79540	1.3
109.02863	4.7
111.00830	2.3
111.04431	34.7
111.85090	1.0
127.03894	15.1
129.05466	31.2
135.52571	1.0
137.02315	1.5
137.05977	1.0
139.03893	2.6
142.91400	0.9
145.04930	13.7
145.92039	1.0
147.06516	4.6
149.05922	1.1
153.01822	12.7
159.25424	1.1
165.01839	2.6
179.03351	1.3
183.02901	1.3
191.03334	1.1
195.02940	1.4
217.04898	2.7
229.04947	1.4
237.07654	1.4
245.04416	3.1
255.08606	4.1
273.03964	4.3
290.03998	1.2
297.03918	1.3
303.05008	12.7
315.05045	1.4
319.04459	100.0
329.02893	3.8
331.04468	7.4
343.04626	3.6
361.05530	15.9
385.05463	2.0
411.07254	2.6
429.08078	7.6
447.09229	4.4
465.10526	5.1
627.15607	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1341
Annotation	Myricetin 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
51.04543	0.4
53.03951	0.4
55.85656	0.4
61.02920	0.8
65.03931	1.0
65.09881	0.4
67.05506	1.0
68.99786	0.4
69.03427	0.7
69.07053	0.6
70.06581	0.4
70.14774	0.9
70.15171	1.1
75.17266	0.4
79.05477	0.4
81.07056	3.6
85.02891	1.9
85.06538	0.4
91.03937	0.5
91.05475	7.9
93.07013	0.9
95.04971	0.6
95.08627	0.5
97.02878	1.4
105.07011	1.7
107.04969	0.9
107.08593	1.0
109.02857	0.6
113.25732	0.4
119.04934	20.3
119.08591	1.1
121.02847	1.5
121.10107	1.1
123.11688	1.8
127.03905	0.7
131.04886	0.5
133.06502	0.4
135.04388	1.0
137.02373	0.4
139.03894	2.8
145.02840	1.1
145.05043	0.5
145.06436	0.7
147.04396	100.0
147.11687	4.5
148.04761	0.8
151.03856	0.5
153.01823	2.2
157.06480	0.7
163.03909	4.9
165.01929	0.5
165.05482	1.7
165.12679	2.1
167.07106	0.5
169.06429	0.6
177.05484	1.1
179.03455	0.5
185.05954	0.9
187.07576	1.1
191.37675	0.4
194.14490	0.4
199.07436	0.5
201.05501	0.6
203.03302	0.6
203.07014	1.3
205.04771	1.0
213.05487	0.6
215.07001	0.6
229.08656	0.9
229.14262	0.4
231.06476	4.5
245.04536	0.9
261.07721	0.6
267.15897	2.6
273.03989	0.6
273.07596	2.3
285.16953	9.8
289.06900	0.4
291.08597	9.3
303.05084	1.3
309.09622	4.8
319.04468	15.0
627.24103	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.8
52.54253	1.4
53.03936	4.6
55.01867	6.7
55.05508	33.4
57.03428	4.2
57.07072	2.4
65.03940	2.1
67.05499	66.3
67.05858	3.2
69.03418	13.3
69.07062	40.6
69.11745	1.3
69.80051	1.4
71.04980	4.5
71.08654	1.5
71.72589	1.6
77.03925	1.9
79.05488	58.9
81.03411	4.9
81.07048	49.2
83.04957	7.8
83.08614	10.9
85.06503	1.9
86.61265	1.5
88.42801	1.3
89.14271	1.8
91.05472	38.2
93.07034	49.9
95.01363	1.8
95.04961	15.1
95.08597	32.0
97.02895	12.8
97.06534	4.8
97.10152	13.3
97.55107	1.3
105.07026	28.2
107.04939	7.3
107.08581	27.8
109.06499	6.2
109.10148	16.8
111.04435	1.6
111.08119	2.1
115.05418	2.1
117.07005	14.0
119.08569	21.5
121.06507	3.2
121.10131	15.9
123.08031	7.3
123.11728	2.7
125.09611	8.4
128.06129	1.6
128.32451	1.5
129.07010	5.1
131.08553	18.6
131.88698	1.4
133.06438	1.6
133.10123	12.7
135.08041	4.1
135.11670	10.0
137.09586	2.4
143.08557	5.8
145.10088	11.1
147.08069	4.1
147.11659	7.6
149.09612	3.9
149.13255	4.2
155.08612	2.1
157.10133	3.1
159.11760	8.2
161.09550	3.7
161.13188	3.6
165.09123	2.4
169.10187	2.7
171.11690	3.8
173.13249	3.5
175.11191	2.6
175.14738	1.7
181.10165	1.5
183.11728	3.2
185.13301	2.7
189.11194	3.6
192.44801	1.4
197.13223	2.2
199.14902	1.5
201.16431	2.1
205.12296	1.7
213.14836	1.7
223.13268	23.1
227.17885	1.7
245.19012	3.4
249.14934	2.6
259.20746	2.0
261.22177	4.2
261.94827	1.6
273.18451	17.0
276.60928	1.3
291.19513	100.0
292.19974	2.6
316.94696	1.6
335.25986	3.6
341.98126	1.5
347.22137	4.5
365.23721	2.5
607.43854	4.0
625.44537	89.4
626.45123	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99043	1.1
53.03938	3.6
55.01863	5.4
55.05509	28.1
57.03428	4.3
57.07064	2.2
65.03936	3.1
67.05501	57.7
69.03426	12.4
69.07066	36.0
71.04992	1.8
71.73223	1.5
79.05490	51.7
81.03411	4.2
81.07051	41.0
83.04989	4.7
83.08620	9.2
85.06503	1.5
91.05473	31.5
93.06439	2.7
93.07034	45.4
95.04952	11.1
95.08598	27.4
97.02892	10.5
97.06531	3.6
97.10141	9.4
103.42535	1.1
105.07037	20.7
107.04933	6.0
107.08590	21.8
109.06529	4.6
109.10149	13.9
111.08083	3.6
115.05407	1.3
117.07015	9.6
119.08578	18.6
121.06521	2.5
121.10140	15.4
123.08061	3.6
123.11700	1.9
125.09625	7.0
128.06241	2.5
129.07010	4.9
130.07793	1.6
131.08562	16.2
133.06480	3.6
133.10118	12.0
135.08081	4.5
135.11693	8.9
137.09666	1.5
143.08583	3.9
145.06392	1.5
145.10121	10.6
147.08055	3.7
147.11676	4.7
149.09573	1.8
149.13268	5.3
155.08524	1.8
157.10196	2.9
159.11658	5.9
161.09647	1.8
161.13239	3.3
165.09207	2.2
169.10094	3.6
171.11711	3.5
173.11827	1.4
173.13225	3.0
173.51677	1.3
175.11137	3.2
175.14862	1.7
177.12811	2.5
181.10139	1.2
189.11263	3.1
199.14729	1.7
205.12312	2.8
223.13312	20.3
223.15359	1.8
225.95941	1.3
249.14774	2.0
261.22150	2.6
273.18506	12.3
277.60596	1.3
291.19528	100.0
295.07996	1.2
317.25021	1.8
335.25659	2.0
365.23026	2.5
448.41812	1.4
472.68198	1.4
551.40820	1.6
607.43878	2.8
608.46448	1.6
625.44580	76.9
626.45129	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01868	38.7
55.05508	31.2
57.03419	10.7
57.07066	6.3
64.51917	2.6
67.05501	64.7
69.03436	2.9
69.07063	81.7
71.04977	4.8
71.22971	5.8
74.21486	2.5
78.04726	2.5
79.05483	46.1
81.03419	9.4
81.07048	69.7
83.04997	12.0
83.08611	14.2
85.06532	2.4
91.05473	56.3
93.07041	54.1
95.01364	5.0
95.04978	9.7
95.08598	50.9
97.06518	45.4
97.10181	6.4
99.08086	4.9
101.91629	2.4
105.07021	66.3
107.04931	17.6
107.08585	30.9
109.06522	7.2
109.10143	20.2
111.06513	2.3
111.08081	6.2
115.05472	3.2
116.06274	3.3
117.06995	21.8
119.08574	49.3
121.06482	4.6
121.10115	16.3
123.08073	6.3
123.11678	3.5
125.09634	5.3
128.06279	6.0
129.06999	20.1
130.07805	3.8
131.08557	41.8
133.06465	3.6
133.10123	46.2
135.08061	4.2
135.11639	12.9
137.09618	4.5
141.06995	6.7
142.07872	3.9
143.08543	32.9
145.06514	6.4
145.10104	40.5
147.08070	2.8
147.11671	26.5
149.09605	10.0
149.13274	8.6
155.08498	15.3
156.09395	3.2
157.10121	25.7
159.11682	36.0
161.09657	4.0
161.13252	19.5
163.11234	6.0
167.08606	7.0
169.10124	17.0
171.10248	4.5
171.11673	29.8
173.13271	18.8
175.11154	2.8
175.14874	8.4
177.12766	4.0
179.14394	6.1
181.10094	15.2
183.11694	16.1
185.13232	18.8
187.11244	4.2
187.14867	8.8
193.10115	4.7
195.11642	12.0
197.13271	14.7
199.14870	10.4
201.12820	3.8
201.16388	2.9
209.13254	7.5
211.14984	7.0
213.12900	2.9
213.16489	7.6
221.13269	4.9
223.14911	9.0
225.16425	5.5
233.13319	3.3
235.14821	5.5
237.16344	4.4
239.17975	5.6
241.19453	17.0
251.18297	2.9
257.19138	8.7
259.20575	19.6
265.19528	4.4
273.18604	5.3
275.20050	41.4
277.21725	4.4
279.16119	3.1
291.19568	5.3
297.22110	5.2
299.23578	4.0
309.22061	2.9
311.23770	4.0
315.23206	4.9
333.24197	25.1
349.23734	30.9
353.24805	3.2
363.27765	2.8
391.30002	3.1
393.28040	2.7
419.33252	4.0
435.32617	8.2
437.34134	23.4
509.36334	3.2
511.37637	16.0
513.36017	8.7
515.38904	5.2
527.38043	4.4
529.38989	4.5
533.40131	11.9
537.43146	3.0
551.41132	10.2
555.36945	5.1
556.37695	4.0
597.46014	4.6
607.43518	59.0
625.28979	5.9
625.44659	100.0
626.45453	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01392	2.7
53.03936	5.7
55.01866	24.8
55.05510	32.5
57.03428	9.1
57.07074	5.2
59.38633	2.3
62.97512	2.7
65.03931	3.5
67.05502	68.7
69.03436	3.4
69.07061	69.0
69.41213	20.8
69.41636	6.0
71.04991	5.8
71.08644	2.3
75.67259	2.5
77.03913	4.1
79.05489	52.9
80.05833	2.9
81.03419	9.9
81.07052	64.2
82.70014	2.4
83.04984	10.3
83.08603	18.0
85.06559	4.7
91.05468	61.9
93.07034	58.8
95.01334	5.1
95.04987	12.2
95.08610	43.3
97.06516	34.5
97.10155	7.2
98.21465	4.9
103.05470	2.8
105.07016	65.8
107.04956	11.1
107.08588	31.9
109.06534	8.8
109.10146	19.0
111.08072	5.6
115.05426	4.3
117.07005	29.0
119.04942	3.5
119.08568	45.0
121.06522	8.7
121.10136	20.0
123.08089	7.4
123.11695	4.7
125.09628	6.8
128.06235	4.3
129.06982	14.6
130.07780	2.9
131.04886	3.4
131.08559	39.0
133.10126	34.3
135.08113	4.4
135.11707	12.7
137.09630	4.5
139.11174	3.0
141.07001	8.5
142.07768	6.2
143.08545	27.2
145.06523	3.1
145.10118	34.0
147.07953	3.8
147.11681	23.1
149.09634	7.4
149.13326	8.9
154.07928	2.6
155.08543	13.7
156.09369	4.5
157.10155	17.9
159.08044	2.8
159.11676	27.2
161.09691	4.5
161.13216	14.8
163.11186	7.1
167.08516	6.5
169.10129	19.9
171.10260	3.4
171.11626	26.5
173.13229	13.6
175.11237	3.1
175.14830	12.1
177.12723	4.2
179.08604	3.1
179.14212	3.4
181.10193	10.6
183.11716	16.3
185.13293	15.1
187.11209	3.4
187.14867	6.7
189.16414	2.9
195.11761	10.1
197.13277	16.4
199.14873	10.5
201.12794	2.7
201.16446	3.7
202.19080	3.3
207.11690	3.2
209.13307	9.7
211.14836	7.6
213.12796	2.6
213.16466	4.9
215.17990	3.6
217.15800	3.2
221.13353	5.3
221.94797	2.8
223.14934	6.6
225.16397	5.2
227.17950	4.1
231.21135	3.5
235.14708	4.4
237.16437	4.5
239.18071	5.0
241.19536	10.8
257.19141	9.0
259.20633	18.9
273.18527	7.8
275.20074	35.3
277.21902	3.1
291.19647	5.2
295.20367	2.9
311.23679	3.7
315.23364	7.8
333.24286	14.2
341.02405	2.4
347.22202	5.6
349.23834	20.7
369.41736	2.9
391.43787	2.5
417.31540	2.6
435.32684	7.3
437.34311	13.8
440.85416	3.0
455.35629	3.3
463.31778	3.4
466.98499	2.5
501.36111	3.3
505.40778	3.5
511.37930	13.3
513.35791	12.0
515.38727	9.2
527.37396	8.1
529.38885	7.1
533.39960	11.3
551.40912	9.7
607.43549	61.2
625.26868	8.5
625.44623	100.0
626.44781	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01862	4.6
55.05503	23.0
57.03433	25.5
57.07080	2.4
65.03931	2.6
67.05498	50.1
69.07067	22.7
70.25385	2.6
70.90010	7.6
71.04987	3.2
79.05485	40.6
81.03381	3.3
81.07055	56.0
83.04980	6.6
83.08607	16.0
85.06531	3.6
91.05475	42.7
93.07041	45.2
95.04975	7.9
95.08605	36.1
97.06522	6.4
97.10162	5.2
103.05478	4.3
103.95763	2.9
105.07018	43.0
107.04953	4.4
107.08586	25.7
109.06506	8.8
109.10177	13.9
111.08071	4.5
115.05420	4.0
117.06995	18.1
119.08582	36.1
121.06522	4.9
121.10154	18.3
123.08070	5.3
123.11656	3.5
125.09602	6.1
126.42861	3.0
128.06271	7.2
129.06995	20.0
131.07060	3.1
131.08551	31.3
133.10144	20.9
135.08067	5.6
135.11668	12.5
137.09669	5.2
141.06976	7.3
142.07767	3.9
143.08539	23.9
145.10130	24.1
147.08032	4.0
147.11659	14.0
149.09567	3.0
149.13199	5.0
155.08517	16.8
157.10110	24.2
159.08118	2.7
159.11678	19.7
161.09586	3.5
161.13264	9.0
167.08598	7.6
168.09407	4.1
169.10120	21.2
171.11688	17.5
173.13226	13.5
175.14821	5.2
179.08630	3.2
181.10007	13.7
183.11655	21.5
185.13228	13.0
187.14876	4.0
195.11725	9.3
197.13263	11.1
199.14877	5.7
207.11752	4.8
209.13310	9.0
211.14853	7.8
213.16412	7.2
219.17439	25.0
221.13356	5.3
223.14819	5.6
225.16489	4.9
227.18062	3.1
235.14857	4.1
237.16327	5.3
239.18111	4.4
241.19539	6.7
257.19153	3.3
259.20593	8.2
273.18512	6.7
275.20157	18.6
299.23560	3.4
315.23471	3.3
333.24289	14.0
349.23804	8.4
367.26151	3.1
461.34241	3.8
477.37451	7.5
495.38541	3.3
515.38727	9.6
533.39746	12.0
551.41040	14.3
553.38611	16.4
556.37018	3.0
569.42157	3.5
607.43427	40.4
625.29614	5.7
625.44531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01881	12.6
55.05280	3.3
55.05511	32.7
55.42698	2.4
57.03444	12.5
57.07077	3.1
65.03947	3.5
67.05503	76.3
69.07052	33.1
71.04990	3.8
71.70625	3.4
79.05486	58.7
81.03414	12.6
81.07053	74.5
83.04991	7.6
83.08622	17.1
85.06539	4.7
91.05476	51.0
93.07040	51.0
95.04966	13.5
95.08603	46.3
97.06529	11.2
97.10173	9.2
99.08076	4.3
105.07027	44.2
107.04937	5.9
107.08579	35.2
109.06509	10.6
109.10168	25.0
111.08055	6.7
115.05434	3.4
117.07018	20.0
119.08579	35.8
121.06505	3.5
121.10146	17.3
123.08081	4.3
123.11709	7.3
125.09633	6.5
128.06264	6.5
129.07008	16.3
131.08566	34.6
133.06470	5.4
133.10126	27.2
135.08069	4.5
135.11690	12.9
137.09618	4.8
141.06964	7.1
142.07718	4.2
143.08562	23.5
145.10114	30.4
147.08057	2.6
147.11696	17.8
149.09618	5.0
149.13286	4.9
155.08565	18.0
157.10121	17.9
159.08064	2.9
159.11690	23.3
161.09662	5.8
161.13295	8.4
163.11211	5.9
167.08661	7.8
169.10115	14.5
171.08098	2.8
171.11688	21.7
173.11942	3.1
173.13219	13.5
174.10359	2.7
175.11147	3.4
175.14851	4.8
177.12877	3.1
181.10101	12.7
183.11702	18.1
185.09586	2.6
185.13300	13.0
185.54430	3.0
187.14841	5.8
193.10187	4.8
195.11720	9.8
197.13341	12.1
199.14839	7.2
207.11690	3.4
209.13338	7.7
211.14839	6.2
213.16525	3.6
215.17911	2.7
221.13255	5.1
223.14816	5.8
225.16402	4.5
227.17943	3.6
235.14937	3.8
237.16507	3.8
239.18062	4.0
241.19737	4.7
257.19064	4.1
259.20642	6.7
273.18503	6.5
275.20236	8.3
289.21820	2.8
291.19766	3.7
293.21335	2.8
333.24286	5.6
349.23764	4.0
365.28384	3.4
497.37134	2.9
513.35956	11.5
515.38763	8.3
527.37439	4.3
533.39844	11.7
551.41089	10.2
553.39301	2.9
607.43512	47.0
608.44733	3.5
625.44604	100.0
626.45190	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	625.3576
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03945	10.0
55.01869	7.9
55.05507	31.7
57.03431	10.0
57.07067	3.0
61.39544	3.3
61.95385	2.4
63.68980	2.7
65.03925	3.6
65.26775	3.1
67.05501	80.9
69.03430	8.7
69.07059	29.9
69.47958	25.4
71.04991	21.5
79.05490	57.1
81.03403	23.1
81.07053	76.8
81.07478	2.6
83.04981	13.0
83.08616	10.7
85.02901	6.8
85.06535	9.1
91.05471	59.2
93.07041	58.1
95.04961	12.8
95.08599	44.1
97.02880	3.9
97.06526	12.4
97.10156	12.5
99.08054	3.7
105.07026	53.5
107.04944	7.9
107.08592	36.0
109.02872	6.6
109.06501	6.3
109.10160	19.7
111.08089	4.1
112.46264	2.9
115.05473	3.6
117.07021	29.4
119.08570	38.1
121.06503	6.5
121.10128	17.2
123.08069	5.4
123.11694	9.0
125.09607	8.1
127.03913	3.6
128.06221	6.8
129.06978	18.5
131.08566	36.3
133.10130	29.4
135.08038	7.9
135.11682	13.2
141.06984	9.5
143.08539	20.9
145.06480	4.1
145.10123	32.3
147.08086	6.4
147.11697	13.2
149.09668	5.0
149.13229	7.3
151.11165	4.4
155.08562	11.7
157.10078	21.7
159.11649	16.8
163.11234	4.6
167.08562	9.5
169.10165	13.6
171.11681	14.3
173.11858	2.9
173.13237	7.1
175.14862	4.3
179.08549	4.4
181.10158	7.4
183.11688	14.1
185.13287	12.5
187.13226	3.2
187.14832	5.3
189.11270	3.3
193.10193	4.5
195.11705	5.8
195.13728	3.9
197.13310	7.5
199.14844	5.4
209.13226	4.3
211.14912	5.9
212.48357	3.2
237.16403	3.9
267.15875	3.2
269.17361	6.4
275.20050	4.4
353.24722	11.9
371.25815	14.9
372.25772	3.1
377.19595	3.2
389.26904	17.4
423.27386	4.8
437.98755	3.4
445.29483	100.0
446.29556	3.3
463.30490	46.7
513.35577	4.9
515.39514	3.3
522.10815	3.3
560.09119	3.4
607.43695	15.7
625.35199	12.5
625.44513	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
55.05511	15.9
57.03437	6.6
64.08558	3.1
64.23790	2.8
66.97898	2.5
67.05499	41.7
69.03417	5.6
69.07067	17.7
70.27969	2.8
71.04983	7.6
79.05479	32.2
81.03412	16.2
81.07049	57.0
83.04977	11.5
83.08619	8.2
85.02892	5.8
85.06554	3.3
91.05471	41.2
93.07046	33.0
95.04959	7.8
95.08588	24.4
97.02885	5.6
97.06546	10.1
97.10164	4.7
99.08156	3.9
105.07018	33.4
107.04966	4.5
107.08582	20.9
109.06499	3.1
109.10157	10.7
111.04428	3.8
111.08091	3.5
115.05416	3.1
117.07037	17.3
119.08570	26.8
121.06447	5.7
121.10149	12.9
123.11681	3.8
123.34215	2.7
127.03947	3.1
128.06300	2.7
129.07001	10.8
131.08530	29.1
133.10132	14.7
135.08063	5.9
135.11700	9.6
143.08527	7.5
145.06483	4.8
145.10120	14.9
147.11649	6.4
147.13370	3.5
149.09660	2.9
149.13219	6.2
155.08533	8.0
157.10126	12.7
159.11722	10.7
167.08632	3.3
169.10101	6.8
171.11742	4.4
173.13228	5.4
181.10179	3.1
183.11650	4.8
195.11674	4.1
233.15199	4.2
269.17505	9.8
325.25253	4.9
335.23642	3.5
343.26361	3.8
353.24725	11.2
371.25748	12.7
389.26843	14.6
445.23233	5.5
445.29474	100.0
446.29935	4.5
463.30646	30.0
464.27686	3.3
548.99237	3.3
607.34491	6.1
607.43439	4.3
625.35352	4.5
625.44476	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	625.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.0
55.01863	5.8
55.05506	21.9
55.46058	1.6
57.03433	16.9
57.07070	3.7
65.03939	4.6
65.74525	1.6
67.05151	3.8
67.05503	75.0
69.03422	20.3
69.07066	24.6
70.05602	1.6
71.04992	16.1
72.03921	2.0
73.02913	2.8
74.18218	1.7
79.05490	42.3
80.13009	2.0
81.02965	2.5
81.03420	44.6
81.07051	100.0
83.04973	32.7
83.08614	18.1
85.02891	10.5
85.06523	7.5
91.05470	33.8
93.07038	64.6
95.04968	10.5
95.08601	31.8
97.02857	8.5
97.06532	16.6
97.10209	1.7
99.04448	7.7
99.08079	5.7
105.07021	20.8
107.04954	5.5
107.07926	3.0
107.08590	34.9
109.02864	7.1
109.06485	4.3
109.10143	7.6
111.04456	9.5
111.08071	7.3
113.09640	1.8
117.06987	13.5
119.08563	9.5
121.06501	5.2
121.10149	21.9
123.08057	3.1
123.11671	4.9
125.06149	1.8
125.09651	3.4
127.03891	9.9
129.05478	14.2
129.06966	2.7
131.08548	13.3
133.06493	3.2
133.10112	14.1
135.08054	6.4
135.11687	13.9
139.11186	2.4
143.08566	3.7
145.10168	2.2
147.11697	10.3
149.09686	2.3
149.13234	37.4
151.11156	2.0
157.10107	2.0
159.11687	16.4
161.13263	3.5
165.12788	3.7
171.11617	1.7
173.04477	2.7
175.11270	3.0
177.12724	11.9
195.13789	22.3
204.90340	1.8
213.14792	5.8
219.13829	1.7
249.14754	3.2
267.15918	6.6
269.17477	48.0
275.16327	2.5
275.91690	1.7
297.16620	2.3
303.15845	1.8
339.18054	11.6
395.20792	5.1
412.86624	1.9
413.21692	19.6
441.58514	1.7
445.29440	7.5
458.97809	1.9
463.30548	98.4
464.30478	2.5
607.34601	25.9
625.34869	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01870	5.0
55.05505	27.5
57.03430	13.6
57.07081	2.4
65.03934	3.0
67.05144	4.0
67.05501	78.7
69.03432	17.1
69.07058	25.1
71.01349	2.7
71.04984	11.0
75.13007	1.7
75.86223	1.8
79.05482	48.6
81.03410	44.4
81.07047	100.0
83.04971	32.6
83.08611	17.2
85.02896	10.3
85.06548	6.9
91.05473	34.5
93.07032	80.2
95.04962	10.6
95.08598	30.8
97.02884	11.1
97.06518	17.3
97.10145	2.3
99.04424	7.5
99.08056	4.6
105.07011	18.7
107.04946	6.2
107.08588	36.6
109.02851	12.4
109.06501	7.9
109.10136	9.2
111.04434	7.2
111.08054	8.0
117.07004	12.5
119.08581	11.3
121.06517	5.1
121.10130	23.4
123.04369	2.0
123.08057	3.6
123.11753	4.4
127.03899	8.9
129.05447	12.8
129.06985	4.7
130.67294	2.2
131.08546	15.8
133.10121	16.3
135.07993	4.1
135.11711	10.6
137.09633	2.4
141.07010	2.1
143.08560	2.6
145.06502	3.5
145.10110	3.6
147.08057	2.1
147.11667	7.4
149.09589	2.7
149.13257	34.8
149.26106	2.1
151.11253	2.8
152.56573	1.8
157.10106	3.0
159.08000	2.2
159.11696	18.5
161.13242	2.3
165.12779	4.2
167.08803	1.8
169.10092	2.5
170.49561	1.9
173.11868	1.9
177.12743	7.4
195.13802	20.5
213.14847	3.8
243.15804	2.0
264.13968	2.1
267.16025	5.1
269.15091	1.9
269.17462	50.1
275.16290	2.2
293.17526	2.4
303.15741	3.2
321.16882	2.2
339.18097	7.2
377.19785	3.9
389.26962	2.3
394.62552	2.1
395.20816	5.1
413.21591	15.2
437.28745	2.6
445.29407	4.2
463.30548	97.6
464.31052	3.1
526.85699	2.1
607.34790	25.6
625.34979	6.3
625.44843	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	624.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08401	3.3
50.15480	3.5
50.15718	3.4
53.03944	6.4
55.01867	24.1
55.05500	19.3
56.05031	3.2
57.03442	3.6
57.07072	4.2
58.99586	5.3
63.46989	2.9
63.47347	3.1
67.05502	36.4
68.05846	3.3
69.03428	8.6
69.07064	89.7
69.56452	21.4
69.56863	5.6
70.02946	13.5
71.04996	5.3
74.00668	26.6
76.02235	4.1
76.03999	7.6
76.84859	3.4
77.41263	2.9
79.05488	26.6
80.05842	4.4
81.03416	50.5
81.07057	66.2
82.03761	6.8
82.07386	8.8
83.04986	9.9
83.06100	19.9
83.08609	13.4
84.04501	43.9
84.08965	3.4
85.02894	9.8
85.04034	9.9
91.05464	22.6
92.05788	5.3
93.07043	26.9
94.07383	5.1
95.04944	15.9
95.08612	16.3
96.05291	3.7
97.02879	11.9
97.06533	4.6
99.05579	5.3
101.04265	3.3
101.47952	3.4
105.07040	16.2
105.55431	3.2
106.07310	3.2
107.04948	12.1
107.06083	6.0
107.08552	17.0
109.02860	6.0
109.06499	7.6
109.07642	11.6
109.10134	28.5
111.02735	3.4
111.04427	6.6
111.08090	5.1
112.03974	18.8
113.03493	3.7
115.05470	3.3
116.01659	5.6
116.03493	4.1
117.07034	4.0
117.31927	3.0
119.04918	3.1
119.08581	11.8
119.87707	2.8
121.10114	10.8
123.11710	52.4
125.38081	2.8
127.03926	5.0
129.06540	23.7
130.04996	94.5
131.04524	7.3
131.08559	12.3
133.10124	9.8
134.10387	3.5
135.04399	9.6
135.05566	3.3
135.08095	4.1
135.11678	9.8
139.02094	6.0
139.65099	3.7
141.07089	3.2
143.08484	3.2
145.06062	41.0
145.10123	3.7
147.04398	5.6
147.07892	3.2
147.11708	5.3
149.13293	6.4
150.05481	20.8
153.06631	15.2
155.08206	9.6
157.10214	3.7
159.08020	4.4
159.11703	3.5
161.09625	5.6
162.05544	5.8
163.03928	15.0
167.01624	52.0
169.10068	3.2
170.02586	3.2
171.08005	5.5
173.06004	5.0
174.05505	5.8
175.03928	37.3
175.05560	3.4
175.06146	4.3
175.07588	5.5
177.03313	20.5
178.05026	14.9
179.01663	14.4
180.04880	4.3
180.99533	3.7
181.03198	4.1
181.06148	11.0
185.03743	6.7
187.07603	8.4
188.08339	10.6
189.09154	4.1
191.01620	18.6
193.03247	21.8
193.12209	11.3
194.12607	8.4
195.01117	67.1
195.04895	4.1
195.06570	6.8
199.07240	13.0
201.05434	4.6
201.09077	4.8
205.03134	5.9
207.01149	9.4
207.04735	23.3
208.04269	62.6
209.02689	5.6
211.07195	4.3
211.13249	17.2
212.13647	7.6
213.01772	3.2
215.05196	4.1
215.07057	8.3
216.07809	23.1
219.01106	14.6
219.04771	6.4
221.02640	12.1
221.06274	24.4
227.03752	36.2
231.04556	7.8
233.02690	6.9
233.06282	13.9
235.04276	21.3
235.09680	10.8
236.03741	36.2
247.04398	8.2
247.07753	5.7
249.05774	27.9
251.03629	6.5
253.05357	6.8
255.13943	3.5
257.15414	8.3
259.08334	3.1
259.16855	5.2
261.05807	23.6
264.03296	25.4
264.10559	3.7
267.06961	19.1
267.15979	4.5
270.17825	4.0
271.11554	5.7
281.08221	3.2
283.13272	4.5
284.14072	14.9
285.14700	7.7
289.12601	26.7
293.08463	5.2
299.11081	4.3
311.06982	16.4
315.14056	7.2
317.12061	56.5
317.15244	3.6
318.18207	4.0
331.13657	3.4
332.16766	14.6
339.06485	53.4
343.13510	7.3
349.14719	30.5
360.16183	6.8
375.16327	9.3
388.15707	13.3
392.18884	27.0
395.12817	8.2
407.12589	3.6
444.28430	5.2
462.29358	14.5
463.19049	22.9
480.30252	5.2
495.21622	75.9
517.20172	5.0
522.13318	3.0
531.21606	4.9
546.32373	3.5
549.22662	100.0
550.45605	2.9
592.22894	4.5
606.24542	3.2
624.25806	5.0
624.34607	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	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01863	7.2
55.05508	32.7
57.03436	5.9
57.07064	3.4
58.39515	1.4
59.04987	2.0
63.82446	1.6
65.03941	5.6
67.05500	65.5
69.03422	3.2
69.07060	18.5
70.96257	1.7
71.05000	1.8
71.35886	1.3
71.72934	3.1
73.31435	1.7
79.05492	41.2
79.05936	2.9
81.03415	29.2
81.07049	43.1
83.04983	8.0
83.08614	18.1
85.02868	1.9
85.06574	3.3
90.76797	1.7
91.05473	44.5
93.07040	37.9
95.04948	10.7
95.08597	32.4
97.06544	7.1
97.10162	25.0
103.05462	2.1
105.04549	1.9
105.07010	33.9
107.04972	7.8
107.08583	26.3
109.06499	3.9
109.10140	15.6
111.08060	3.7
115.05473	7.1
117.07000	21.2
119.08570	26.9
121.06520	4.0
121.10144	12.5
123.08127	3.7
123.11750	5.7
125.09629	17.4
126.44122	1.8
128.06253	5.5
129.07013	20.7
130.07784	2.3
131.08559	22.4
133.06502	2.8
133.10103	14.8
133.28830	1.7
135.08084	5.2
135.11751	7.1
137.06032	1.8
137.09595	3.2
141.06993	10.4
142.07820	3.6
143.08543	17.3
145.06528	7.6
145.10120	15.2
147.04494	2.2
147.08078	2.9
147.11690	9.1
149.09674	4.9
149.13316	2.6
153.07021	3.3
153.09155	2.0
155.08530	14.5
156.09412	1.9
157.10115	16.6
159.08018	2.5
159.11647	12.2
160.05249	2.7
161.06036	6.2
161.09703	3.5
161.13208	4.3
163.11096	2.1
166.07755	2.4
167.08609	6.9
168.09436	2.6
169.06627	2.3
169.10110	13.5
171.08147	2.1
171.11729	11.4
173.05978	4.6
173.09750	2.7
173.13293	6.2
175.11275	2.8
175.14848	3.6
179.08629	2.6
181.10146	7.5
183.11693	12.8
185.13322	7.4
187.07526	2.2
187.11166	2.1
187.14886	4.2
189.11147	9.9
193.10246	3.7
193.12234	2.1
195.07962	1.9
195.11768	8.2
197.13208	8.4
199.11337	2.4
199.14925	5.3
201.12827	1.9
201.16464	2.9
207.11810	5.1
209.13330	7.3
211.11304	2.2
211.14929	4.7
219.11656	1.9
221.13319	3.9
223.15063	4.3
225.16409	4.5
227.12672	10.4
233.13368	2.4
235.14949	3.5
237.16481	3.4
239.17996	3.8
241.19682	2.3
253.19527	2.9
257.19147	4.3
259.20724	5.6
271.13477	3.7
271.17020	6.8
273.15005	2.7
273.18661	3.4
275.20035	8.4
289.18042	2.7
291.19501	12.1
293.22455	2.1
297.22244	3.0
299.23901	3.0
315.23053	4.2
335.25882	4.8
363.26855	4.2
377.28702	2.1
379.30157	11.4
394.00058	2.2
499.21387	2.4
513.37219	3.1
525.36206	9.1
531.38654	5.3
549.39886	6.5
563.25287	2.2
595.43555	2.4
605.24420	3.6
605.41937	14.2
623.26050	9.9
623.43182	100.0
624.43250	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	623.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.4
55.01871	4.9
55.05505	27.7
57.03434	10.4
57.07073	2.5
65.03925	3.4
67.05500	55.7
69.03432	21.5
69.07061	16.0
71.01356	2.8
71.04990	9.5
73.02915	2.1
79.05493	52.4
81.03412	100.0
81.07051	76.7
83.04977	24.6
83.08612	24.9
85.02900	25.1
85.06542	4.2
91.05474	43.7
93.07043	44.7
95.04964	34.3
95.08598	21.0
97.02894	19.0
97.06536	11.0
97.10170	9.4
98.20647	4.1
99.04462	5.8
99.53787	1.8
100.45010	1.7
103.05463	2.0
105.07018	29.3
107.04922	9.7
107.08588	25.0
109.02863	17.5
109.06527	7.8
109.10161	6.0
111.04436	17.7
111.08073	9.9
115.05460	2.0
117.07006	12.8
119.04973	2.2
119.08575	22.8
121.06481	6.6
121.10123	16.2
123.04417	4.5
123.08061	6.1
123.11713	6.9
125.09617	4.6
127.03887	12.5
129.05446	2.5
129.06993	12.0
131.04921	2.7
131.08571	20.0
133.06516	6.2
133.10114	14.8
135.08057	3.6
135.11662	6.0
137.09601	2.9
142.07840	3.4
143.08592	6.0
145.06435	5.6
145.10092	9.7
147.08037	4.1
147.11674	21.4
149.05942	2.8
149.08638	1.9
149.09666	4.8
149.13278	15.4
153.12804	2.4
155.08578	3.9
157.10098	13.1
159.08044	2.1
159.11632	9.3
161.09583	2.1
163.11163	3.8
165.12770	9.7
171.11713	2.2
173.04515	3.0
175.11140	13.8
177.12785	5.0
183.11623	2.1
189.11246	3.8
191.10530	1.9
193.12222	31.3
195.12155	1.9
195.13739	10.7
207.13841	2.4
211.13271	48.7
211.15160	2.8
213.14900	2.9
223.13394	2.2
227.12749	5.3
229.14255	2.4
235.13094	2.2
255.14038	2.2
267.15921	14.3
269.14935	3.1
269.17395	11.9
273.14886	5.3
277.46216	1.8
285.16995	7.1
301.14401	2.6
321.16983	4.8
339.18195	9.8
355.17499	5.5
369.24478	5.0
377.19641	3.7
387.25360	3.3
393.19342	2.0
395.20633	8.5
411.19894	4.5
417.26245	2.5
435.27386	2.3
443.27759	5.3
461.28906	32.9
461.34988	2.5
479.29987	12.6
503.30139	2.3
587.32208	5.8
605.33063	8.2
623.34192	76.5
624.34436	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26653	1.5
53.03938	9.7
55.01852	5.2
55.05503	28.5
57.03439	9.9
61.02923	2.4
65.03916	2.9
67.05493	63.1
69.03423	19.3
69.07063	20.4
69.89179	1.7
71.04983	11.2
73.71049	1.5
77.03912	1.8
79.05486	44.0
81.03406	98.1
81.07046	77.2
83.04971	23.9
83.08610	24.3
85.02888	16.5
85.06520	2.7
91.05466	34.9
93.07027	51.5
93.07586	3.4
95.04951	25.8
95.08591	22.0
97.02879	20.7
97.06506	11.1
97.10168	6.0
99.04443	5.5
99.08040	2.9
105.07012	25.5
107.04958	8.0
107.08567	28.2
107.44437	1.6
109.02853	17.5
109.03453	1.8
109.06519	6.1
109.10172	4.8
111.04443	17.3
111.08094	12.2
115.05441	2.6
117.06982	11.1
119.04965	2.6
119.08566	15.4
121.06488	5.0
121.10120	17.3
123.08073	2.3
123.11697	3.3
125.09589	2.1
127.03914	14.2
128.06163	1.6
129.05493	2.0
129.06985	11.0
131.04965	1.8
131.08527	15.1
133.06464	2.7
133.10115	13.7
135.08026	2.1
135.11609	7.9
142.07718	2.2
143.08511	3.8
145.06503	2.0
145.10098	4.3
147.08073	3.8
147.11642	12.3
149.05969	2.9
149.09616	4.8
149.13234	18.3
153.12714	2.9
157.10078	9.3
159.07983	2.6
159.11676	11.3
163.11206	5.5
165.12766	3.3
170.98701	2.1
173.04573	1.8
175.11160	9.1
177.12729	7.5
181.12248	3.3
183.06609	1.5
189.11182	1.9
191.10692	3.8
193.12228	32.0
195.13750	9.7
209.11690	2.2
211.13269	56.9
213.14828	3.3
227.12724	8.3
227.16736	1.8
267.15787	8.3
269.17438	11.0
273.14996	1.8
273.18500	1.7
275.16757	1.8
285.17041	3.8
301.14407	3.8
321.17047	2.9
337.16376	3.7
339.17975	5.4
355.17319	12.6
369.24265	3.6
374.57663	1.6
387.25256	3.1
395.20795	5.1
411.20245	5.9
443.28119	5.5
461.28827	18.6
477.27274	2.4
479.29865	16.6
490.74713	1.9
553.72766	1.8
587.31982	2.8
605.33160	6.5
623.34174	100.0
624.34296	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	623.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.5
55.01859	6.4
55.05510	28.8
57.03428	8.3
57.70908	1.9
59.60590	2.1
61.02926	26.5
65.03937	5.8
67.05502	56.2
69.03419	14.9
69.07070	17.3
69.52516	1.9
69.61907	15.1
71.04996	9.4
73.02909	8.5
79.05047	2.4
79.05495	39.8
80.02028	1.8
81.03412	36.4
81.07050	57.1
83.04985	10.9
83.08611	15.1
85.02896	28.2
85.06524	6.1
87.04493	2.1
91.03951	10.4
91.05476	51.5
92.60452	2.1
93.07035	36.4
95.04967	14.7
95.08607	29.4
97.02888	16.6
97.06493	9.6
97.10161	7.1
99.04442	3.2
99.08118	3.0
103.03913	2.7
103.05468	4.2
105.07021	32.3
107.04935	8.8
107.08578	20.4
109.02876	9.4
109.06521	6.8
109.10143	9.9
111.04426	6.1
111.08096	7.5
115.05434	4.6
116.06192	2.3
117.07024	29.2
118.16743	1.7
119.05038	1.8
119.08572	28.5
119.46851	2.3
121.06502	7.5
121.10150	14.6
123.08051	2.9
123.11707	3.6
125.09620	3.8
127.03915	5.0
128.06203	6.1
129.06999	35.8
130.07806	2.2
130.08780	1.9
131.08565	36.4
133.06453	5.6
133.10136	17.4
135.08066	2.5
135.11685	5.7
141.07005	10.5
142.07791	2.3
143.08543	27.4
145.06470	6.9
145.10117	21.3
147.08046	6.3
147.11670	10.7
149.09631	8.1
149.13278	10.0
154.07744	2.6
155.08517	23.4
157.10149	19.2
159.08051	4.7
159.11707	11.6
161.09630	4.7
161.13307	2.5
163.11159	4.8
165.12810	3.8
166.07813	2.7
167.08586	8.7
169.10098	11.6
171.08052	3.7
171.11681	8.9
173.09709	3.2
173.13239	4.5
175.11211	6.7
177.12816	3.1
179.08582	6.6
180.09383	2.1
181.10069	12.2
182.10765	2.4
183.11713	7.9
185.13261	6.5
187.11211	2.6
193.10158	4.8
193.12265	12.4
195.11685	11.7
195.13544	3.1
197.09470	2.7
197.13274	8.4
197.59235	1.9
199.11203	2.1
199.14899	2.4
201.12735	3.0
207.11731	4.3
207.13899	2.1
209.13242	7.0
211.13229	18.5
211.14957	2.9
213.12746	3.3
215.14316	6.9
221.13301	9.4
223.14833	8.1
225.12708	2.2
225.16440	3.4
231.13857	2.2
235.14886	3.3
239.14209	4.8
241.16040	4.3
253.15848	4.0
257.15259	4.4
259.16956	2.4
267.15964	6.6
269.17538	5.6
271.17044	5.8
285.18436	2.3
288.26328	2.0
305.22556	2.3
315.21054	2.9
323.23715	3.6
333.22092	17.8
341.24680	9.4
351.23196	40.2
352.23346	2.5
369.24258	31.2
387.25308	16.0
425.26740	7.5
443.27917	100.0
444.28409	3.2
461.28995	75.6
462.29132	3.1
479.29788	5.9
503.29681	2.8
569.30548	2.4
605.32861	4.1
623.34338	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01859	0.6
55.05498	1.6
57.03439	0.7
60.56043	0.5
67.05505	4.2
69.07059	1.2
70.30508	0.4
71.72862	1.0
74.08650	0.5
78.51044	0.5
79.05493	3.4
81.03414	4.6
81.07061	3.9
82.45298	0.5
83.04988	0.6
83.08614	1.1
89.76315	0.5
91.05476	3.2
93.07058	3.3
94.06630	0.5
95.04952	0.9
95.08604	1.9
97.06520	0.7
97.10194	0.6
105.07023	3.0
106.06570	0.7
107.08599	2.3
109.06529	0.7
109.10156	0.8
115.05449	0.7
117.07036	1.6
119.08570	2.3
120.08169	0.6
121.10193	0.6
129.07010	1.2
131.08507	1.2
133.10118	1.2
135.11705	0.6
143.08549	0.9
144.08098	0.6
145.06413	0.6
145.10146	0.8
147.11638	0.7
149.09653	0.5
157.10135	0.8
159.11673	0.7
160.05261	0.6
161.06010	0.6
161.13356	0.6
166.83047	0.5
173.06015	1.1
183.09169	0.6
183.11697	0.7
189.11214	0.5
195.09166	1.4
196.09918	1.4
197.10782	1.3
209.10678	4.0
210.11511	1.8
211.12389	1.6
221.10765	1.5
222.11290	0.8
223.08849	1.0
223.12305	5.6
224.09552	0.8
224.13039	5.9
225.10205	1.5
225.13879	1.9
233.56938	0.5
235.08786	0.7
235.12350	1.2
236.09425	0.6
237.10262	2.8
237.13893	3.6
238.14728	1.7
239.08284	0.7
239.15500	1.7
249.10333	1.7
249.13927	0.6
250.11037	0.8
251.08340	0.7
251.11830	1.5
252.12723	0.6
253.09894	0.5
253.13351	1.1
263.08029	0.6
263.12045	0.6
265.10440	0.8
265.13419	3.8
266.13965	0.8
271.16809	1.0
275.20059	1.7
277.09949	1.1
296.11673	0.7
298.13235	0.6
299.15439	1.1
300.15063	0.8
302.16415	0.6
311.13724	2.9
325.11819	0.6
326.12708	0.6
326.16547	0.6
328.14600	0.6
335.25980	0.8
337.11734	0.9
339.13608	0.6
340.14423	0.5
391.19571	1.0
401.17688	0.7
403.19473	0.6
405.16504	0.9
405.20938	1.1
417.16397	1.0
418.17606	2.7
419.18597	2.2
420.19461	0.6
431.18524	1.2
432.18835	0.6
433.20160	3.2
434.21130	0.8
445.20148	1.2
447.17529	0.9
447.22595	0.7
448.18497	0.7
449.23459	0.8
461.19229	1.3
462.20581	0.9
463.21280	1.0
474.20883	0.7
475.21393	1.5
476.22269	3.1
477.22757	3.5
489.23111	0.8
503.24588	0.8
505.22028	1.3
520.24597	0.8
521.25427	0.8
531.23260	0.9
533.21704	0.7
534.22772	1.2
535.27832	4.2
548.24188	3.2
563.26538	32.1
564.26868	1.4
591.25952	7.2
595.29486	2.9
605.41901	0.9
623.28607	100.0
624.28937	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
55.52631	0.5
67.05508	3.2
69.07059	1.1
69.49387	5.4
77.69495	0.5
79.05486	2.5
81.03411	0.9
81.07042	2.9
83.04975	1.0
83.08605	0.9
91.05466	2.3
93.07013	2.7
95.04942	0.7
95.08595	2.4
97.10173	0.8
101.34655	0.5
104.68618	0.6
105.07022	1.4
107.08593	1.8
109.10155	1.6
117.06999	1.4
119.08587	2.9
121.10101	0.9
131.08556	0.7
145.10086	0.6
147.11525	0.7
149.13414	0.5
155.08435	0.7
157.10188	1.1
159.08017	0.7
173.09605	0.6
185.05907	0.6
189.11226	0.8
271.16922	0.7
275.20221	0.7
289.17935	1.3
291.68890	0.6
291.73267	0.7
300.94666	0.6
321.89999	0.6
376.17145	0.7
390.18646	0.8
391.19244	1.7
392.19803	1.1
404.20148	1.0
405.21213	3.0
406.21579	2.0
407.22491	2.0
418.17679	1.8
419.17789	3.3
419.23309	1.0
420.23642	4.1
421.23834	2.7
432.19394	2.2
433.20078	7.7
434.20605	3.4
435.21771	1.1
445.20966	0.8
446.21228	1.6
447.22226	5.1
448.22809	5.0
449.23672	3.3
461.23682	1.1
462.20532	1.5
463.21320	2.4
475.20789	1.1
476.22049	5.8
477.22885	6.6
479.24362	0.8
489.22702	2.0
492.24988	0.8
503.23431	0.8
507.20111	0.7
521.21826	1.5
534.25903	3.1
535.27966	3.5
563.26538	23.7
564.27191	1.3
585.51147	0.6
591.25946	0.7
594.28485	0.8
595.29028	0.9
623.28601	100.0
624.28894	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31085	2.8
67.05495	2.4
71.15762	5.7
79.05477	3.5
81.07047	2.4
91.05497	3.5
93.07070	2.3
119.08564	2.4
149.70422	2.5
200.22495	2.2
210.14767	2.2
271.16830	2.4
359.25238	2.0
391.19370	3.7
399.16431	2.5
400.17194	2.7
401.18179	2.9
405.20724	2.7
406.21320	4.4
407.22253	13.8
413.17761	3.3
414.18283	4.0
415.19543	4.3
419.22836	2.5
420.23645	2.8
421.23895	10.9
422.25043	2.6
429.20737	15.4
430.22122	2.6
443.22537	8.5
444.23544	3.8
457.24380	4.1
458.24716	5.1
459.21869	7.3
461.19534	4.6
472.22745	4.9
475.21225	4.6
476.21872	4.6
477.22903	2.7
485.23572	13.9
486.24298	4.6
489.22955	4.5
503.24432	4.8
507.71289	2.2
513.23273	2.7
517.26093	4.6
535.26886	3.6
545.25507	76.9
563.26190	2.5
565.28540	2.2
573.25140	17.7
605.27515	100.0
623.28601	99.1
623.44281	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
58.09112	0.8
67.05508	5.8
69.03468	0.7
69.07057	2.3
71.73022	1.1
79.04813	0.7
79.05489	5.6
81.07062	4.6
81.26878	0.8
83.04967	1.4
83.08628	2.1
84.94875	0.7
91.05473	5.7
93.07042	2.9
95.04982	1.3
95.08592	2.5
97.10152	1.8
97.37768	0.7
105.07056	3.2
107.08602	2.6
109.10158	1.6
115.05473	1.2
117.06997	3.9
119.08555	5.8
121.10153	1.1
125.09647	1.5
129.07051	0.9
131.08588	1.7
133.10123	1.0
135.08043	1.0
143.08595	1.2
144.37723	0.8
145.06487	5.5
145.10129	1.8
149.09692	0.9
153.09123	0.9
157.10173	0.9
159.08061	1.2
159.11713	0.9
189.11208	2.3
227.12833	1.6
244.55461	0.7
250.80385	0.8
271.16837	6.7
275.20029	1.3
289.17935	2.0
296.51736	0.7
303.71921	0.8
335.25894	0.9
345.20795	1.0
375.15671	1.0
388.16879	1.1
389.17648	3.8
390.18518	1.2
391.19238	2.4
403.19199	2.6
404.20203	1.4
405.20764	10.0
406.21158	1.3
417.16528	7.5
417.21777	1.7
418.17896	3.3
419.18610	3.2
431.18298	6.0
432.19363	8.1
433.20242	9.1
445.20325	3.2
446.20898	1.8
449.23184	2.4
459.21765	1.5
461.19412	1.7
462.20325	1.5
463.21188	2.0
475.21350	1.0
476.21820	4.2
477.23587	4.8
478.23788	1.2
491.24841	1.6
505.23340	1.0
519.23956	21.9
521.21783	1.5
563.26556	17.0
579.25537	5.4
623.28595	100.0
623.44135	2.7
624.28369	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
67.05512	0.9
79.05493	0.3
81.07035	0.8
91.05476	0.6
93.07044	0.7
95.08587	0.4
104.64915	0.3
107.08582	0.5
117.07043	0.5
119.08605	0.9
127.50015	0.3
131.08636	0.4
151.78941	0.3
195.59239	0.3
219.46872	0.4
222.11601	0.4
223.12233	0.5
289.18091	0.4
325.68900	0.3
375.16391	0.5
377.17520	0.5
387.16550	0.4
389.17804	0.8
390.18417	1.1
391.19098	1.9
392.20074	0.5
399.15662	0.4
401.17804	0.7
402.18344	1.2
403.19427	1.6
404.20352	0.7
405.21182	2.1
407.22357	0.9
414.18597	0.5
415.19058	1.1
416.20172	0.7
417.16367	0.9
417.21762	2.4
418.17377	0.9
419.22632	3.8
420.23233	0.8
429.16379	0.5
429.21115	0.7
430.17218	2.0
431.18024	2.9
432.18842	0.8
432.23950	0.6
433.20163	6.0
434.20694	0.9
435.22131	0.4
442.17896	0.4
443.17938	1.8
444.18948	2.1
445.19846	4.3
446.21063	3.4
447.21820	4.5
448.22617	1.3
449.23288	0.4
457.20364	0.4
458.20828	5.5
459.21655	5.1
460.22699	4.4
461.19006	0.8
462.20724	1.0
463.21353	1.8
465.22842	0.5
471.22147	0.5
472.22519	0.4
473.23544	1.7
475.21500	1.2
476.22137	1.3
477.22992	1.8
485.23489	0.5
487.25122	0.4
490.23660	0.4
491.24197	0.4
501.23166	0.4
503.24686	0.8
504.24994	0.7
505.22391	0.6
516.21283	0.4
517.22614	1.2
518.23029	4.6
519.24017	0.6
521.22040	1.5
530.24042	0.6
531.23914	0.8
532.24921	0.7
533.25458	8.3
535.26880	1.4
540.37494	0.4
545.25610	2.6
546.26343	1.0
549.24762	0.4
563.26599	6.1
573.24817	0.6
577.27844	0.7
605.27539	9.3
606.28430	0.5
623.28589	100.0
624.28912	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05505	2.1
55.51314	0.8
62.67947	0.8
67.05486	3.7
69.07069	1.2
70.53362	1.5
70.53750	1.8
79.05497	2.7
81.03426	1.0
81.07060	3.6
83.04984	1.4
91.05482	2.5
93.07061	3.6
94.00446	0.7
95.08601	1.8
97.06519	0.8
97.10133	0.7
105.07046	2.4
107.04963	0.8
107.08577	1.7
109.10130	1.1
117.07018	0.8
119.08588	1.9
121.10108	0.8
130.95145	0.8
131.08542	1.3
135.08051	0.8
145.10141	1.1
149.09541	1.1
159.08086	1.2
159.11752	1.1
161.13074	0.8
170.56776	0.8
171.09244	0.9
187.08934	0.8
219.17328	1.5
219.37770	0.7
271.17126	1.1
275.20154	1.9
285.26996	0.8
289.17960	2.1
338.12946	0.9
388.17102	0.8
389.17831	1.7
390.18561	0.8
391.19360	1.9
392.20065	1.0
403.19666	0.9
404.20520	1.0
405.16391	1.1
405.20972	2.1
406.21533	1.0
418.17740	1.5
419.17935	1.7
419.22525	2.3
421.24100	2.1
431.18411	1.8
432.19275	1.0
433.20291	3.9
434.20892	2.2
435.21606	1.4
443.18582	1.3
445.20041	2.3
446.20853	1.0
447.21713	2.9
448.22546	2.2
449.23376	4.4
457.20230	1.2
458.20868	1.2
459.22095	1.1
461.18814	1.8
461.24252	1.1
462.20380	1.4
463.21210	1.4
475.21521	2.4
476.22144	5.2
477.22955	4.7
489.22861	2.1
502.46512	0.8
505.22604	1.1
533.25470	3.3
535.26886	3.2
563.26556	16.8
564.27130	1.0
605.27502	3.1
623.28571	100.0
623.43256	3.8
624.28772	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.9
71.44140	1.8
77.15484	1.0
90.39678	0.8
96.69404	0.8
112.51574	0.8
145.46373	0.8
147.21074	0.8
312.36926	1.0
391.19083	1.2
393.20886	1.0
405.20749	2.6
413.17685	1.2
428.20004	1.1
429.20728	1.9
433.19940	4.4
447.17725	8.2
448.22690	2.6
449.23163	1.9
458.25058	1.1
459.21558	2.0
460.21735	0.9
461.19452	6.7
463.21295	1.2
472.22360	2.1
473.23425	1.4
475.20807	2.1
476.21967	22.5
477.22919	3.7
479.20703	1.8
485.23233	3.0
487.24985	2.1
503.24948	1.4
517.26013	1.9
519.24146	2.7
531.23932	2.7
545.25513	13.6
563.26373	8.7
605.27826	2.6
623.28577	100.0
624.28735	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	622.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35240	2.5
67.15601	2.1
69.48201	25.4
100.37650	2.3
102.24468	2.3
146.12416	2.8
162.13202	2.3
378.03070	2.6
431.18777	3.2
446.16858	2.7
462.20468	3.2
475.21243	14.7
476.21799	3.2
503.20660	3.3
535.23077	14.6
536.23560	4.5
551.26385	2.8
562.25580	14.3
563.26270	9.4
567.91870	2.7
579.25574	3.0
590.24738	10.3
593.24390	8.1
594.27991	6.2
607.25323	4.1
622.27783	100.0
623.28577	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	623.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
55.01859	0.6
65.03927	0.9
67.01836	0.4
67.05513	0.4
68.99786	7.7
69.53255	1.1
69.53673	1.9
72.15392	0.3
77.80346	0.3
79.01851	0.5
79.27787	0.3
80.39413	0.4
81.03407	2.2
85.02880	0.6
86.16849	0.3
95.04919	0.5
97.02876	0.4
99.04446	0.8
105.03373	1.0
109.02868	3.4
111.00793	6.9
111.04403	1.0
115.05449	0.6
119.04932	0.6
120.95078	0.4
121.02859	0.9
121.06583	0.3
123.04418	7.7
125.02341	0.9
127.03906	50.2
128.04248	0.4
129.06927	0.4
131.04930	0.6
133.02838	3.2
135.04402	0.4
137.02342	3.0
139.03893	16.4
143.03380	0.7
143.04935	0.4
147.04413	4.1
149.02341	1.3
151.03899	16.5
153.01817	19.9
153.05426	0.4
155.03343	1.4
157.02808	0.6
157.06435	0.6
159.04433	1.5
161.02325	1.5
161.05978	1.3
163.03932	1.0
165.01834	4.9
166.02527	0.6
167.03415	1.3
171.04370	2.5
173.06001	1.2
175.03889	6.2
177.01782	0.5
177.05443	2.7
179.03380	31.0
183.02956	1.7
183.04274	0.3
185.02464	0.4
185.05962	1.2
187.03885	1.1
189.01807	0.7
189.05389	1.7
191.03412	1.0
193.01410	0.6
193.05017	0.6
195.02872	1.8
197.06087	0.4
199.03912	3.1
201.05405	2.0
203.03377	10.0
205.01315	2.0
205.04965	0.4
207.02872	1.3
213.05482	2.6
214.46782	0.3
215.03365	6.2
216.03810	0.4
217.01332	1.3
217.04948	6.8
219.06516	1.1
221.04492	0.8
223.02332	0.5
225.05508	0.4
227.03384	4.3
227.11661	0.3
229.01315	1.2
229.04955	4.2
231.02888	0.6
231.06596	1.0
233.04504	0.6
241.04893	2.7
243.02866	1.7
243.06422	0.3
244.03734	0.7
245.04454	11.5
247.02284	0.4
255.02888	0.9
257.04401	3.0
259.06046	2.0
261.03964	0.5
263.05478	19.4
264.05887	0.4
269.04474	3.1
271.02359	7.2
271.05612	0.5
273.03934	4.2
275.05493	0.5
277.07095	1.0
283.02496	0.5
285.03925	21.6
286.04492	0.5
287.05481	23.8
288.05908	0.5
289.03415	17.7
289.06665	0.9
290.04156	1.4
295.02472	0.5
295.05862	0.4
297.03873	2.4
299.05606	0.3
301.03436	2.5
303.05072	2.2
305.06558	2.5
309.03900	1.0
313.03427	1.3
315.04947	3.0
318.03625	1.9
319.04468	100.0
320.04861	1.2
325.03448	0.4
327.04843	0.7
329.02875	2.5
331.04456	16.5
332.05023	1.0
339.04803	0.9
343.04510	1.2
345.06003	3.3
347.04126	0.7
353.02893	0.6
355.04382	0.5
357.06152	0.4
359.04138	0.9
361.05502	15.8
362.05682	0.4
367.04538	0.5
369.06021	4.3
371.03928	8.6
371.08566	0.5
391.04309	0.4
395.03809	0.9
409.05447	0.5
411.07056	0.7
413.05048	1.1
415.02802	0.4
421.05179	0.3
437.04987	6.6
439.06668	0.4
455.06067	41.2
456.06436	0.5
467.06085	3.6
479.06082	6.4
497.07071	1.9
546.47449	0.3
587.08081	0.5
605.09198	5.1
606.10138	0.4
623.10272	18.9
624.10681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30020	1.3
51.58742	0.9
53.03933	8.6
55.01857	6.5
55.05247	1.4
55.05505	19.5
55.47191	1.2
57.03426	9.1
63.68629	1.0
65.03940	2.3
67.05146	2.1
67.05495	34.7
69.03410	16.9
69.07058	8.3
70.04905	1.8
70.05213	6.8
71.01373	1.3
71.04973	6.1
72.23639	1.1
73.02922	1.4
79.05482	33.6
81.03408	100.0
81.07045	30.7
82.03743	1.4
83.04968	18.6
83.08607	20.1
85.02901	17.2
85.06515	1.6
91.05470	42.0
93.07040	20.6
95.04955	36.9
95.08598	10.5
96.05284	1.2
96.08389	1.1
97.02874	16.4
97.06522	3.7
97.10155	6.5
98.21348	2.2
99.04448	3.0
99.08077	2.2
103.05449	2.7
105.04472	1.1
105.07019	26.8
105.07728	1.4
107.04936	10.9
107.08583	13.3
109.02865	23.2
109.06507	6.3
109.10157	5.1
111.04414	11.1
111.08085	9.0
113.06021	1.5
115.05471	4.5
117.06999	8.9
119.04942	3.2
119.08569	22.2
121.06503	6.1
121.10120	9.6
123.04432	4.5
123.08060	3.4
123.11693	2.7
125.02357	3.1
125.09601	4.3
127.03907	9.2
128.06224	1.6
129.05409	1.4
129.06987	13.1
131.04901	5.5
131.08554	14.2
133.06491	5.9
133.10124	9.7
135.04378	1.7
135.08069	2.9
135.11700	4.1
137.06020	1.7
137.09671	1.3
139.03918	2.1
142.07726	2.3
143.08531	4.5
145.06471	5.4
145.10095	6.6
147.04425	3.4
147.08070	6.0
147.11668	14.8
149.06004	3.4
149.09607	5.8
153.12785	3.5
155.08539	3.1
157.06505	1.9
157.10101	11.2
159.08110	2.4
159.11719	2.7
161.06012	2.7
161.09621	2.2
163.07503	1.5
163.11098	6.4
165.12793	5.1
167.08524	2.2
169.10104	1.3
171.08061	2.8
171.11665	2.5
173.04488	5.0
173.05923	2.2
173.09575	1.8
175.11165	13.2
181.10037	1.4
181.12250	2.1
185.06038	2.0
187.07530	1.4
189.05417	2.2
189.11235	2.7
189.12752	2.2
191.10670	2.7
193.12247	37.9
194.12653	1.4
199.07481	1.7
201.09053	1.2
205.12230	1.7
211.11282	1.8
211.13260	36.7
211.15186	2.0
217.12274	1.7
223.13322	1.5
227.12729	5.6
231.13820	1.9
235.13272	2.7
243.13733	1.7
245.15327	1.9
249.14928	3.3
255.13812	1.9
267.15900	9.9
273.14880	10.4
277.14459	1.6
285.16934	8.2
289.14371	1.6
291.15982	1.8
301.14255	10.7
302.14828	1.3
319.15298	6.7
337.16537	4.6
341.17404	1.2
355.17319	3.1
367.22653	1.7
375.18030	4.2
385.23709	3.6
393.19165	4.7
403.24713	1.6
411.20001	3.5
441.26340	1.6
459.27490	4.7
477.28568	6.4
483.27301	1.4
495.29599	4.3
529.27417	1.7
543.29504	1.8
567.30353	2.1
573.30389	1.8
585.30652	5.1
603.31262	6.8
621.32635	49.6
622.33112	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	621.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03942	6.7
55.01876	7.0
55.05506	20.1
57.03432	8.6
58.17616	0.9
64.90021	0.8
65.03938	3.7
67.05148	2.0
67.05500	33.5
69.03415	13.3
69.07054	8.2
70.27115	4.2
71.01341	1.6
71.04992	5.2
74.59957	1.0
74.73717	0.9
79.05488	31.0
81.03410	100.0
81.07050	32.6
83.04974	17.4
83.08618	20.0
85.02898	19.1
85.06531	1.9
87.04432	1.6
91.05473	39.9
93.07039	24.6
93.07603	1.8
95.04962	41.5
95.08595	12.7
97.02891	15.3
97.06539	5.1
97.10171	8.0
99.04459	4.2
99.08084	1.5
101.65984	0.9
103.05494	2.5
105.07013	27.7
107.04949	12.2
107.08584	10.8
109.02866	23.8
109.03551	1.8
109.06517	7.8
109.10152	3.9
111.04435	13.0
111.08066	9.7
113.06042	1.7
115.05499	2.5
117.07018	7.1
119.04952	1.6
119.08569	23.3
121.06507	7.5
121.10120	9.9
123.04436	6.4
123.08084	3.7
123.11696	1.9
125.02336	5.1
125.09583	5.3
127.03902	8.5
128.06189	3.5
129.05498	1.3
129.06982	14.4
131.04930	3.1
131.08559	15.5
133.06526	6.9
133.10120	10.5
135.04425	2.1
135.08080	3.7
135.11694	4.2
137.05978	2.3
137.09676	2.0
139.03888	8.9
141.06967	3.1
142.07748	2.9
143.08568	4.0
145.06477	6.1
145.10098	8.0
145.86038	1.1
147.04411	3.6
147.08040	5.5
147.11681	16.6
149.06026	4.0
149.09631	6.5
151.11249	1.7
153.12778	2.4
155.08562	4.0
157.06450	1.4
157.10110	13.7
159.08075	2.3
159.11697	3.0
161.05972	3.4
161.09669	1.5
163.11154	7.9
165.05525	1.3
165.12700	6.5
167.08556	1.6
169.10117	1.6
171.08032	2.4
171.11678	2.1
173.04474	5.2
173.05937	2.3
173.09698	2.9
175.07506	1.6
175.11172	12.3
181.10262	1.0
181.12163	2.1
185.06030	1.0
185.09584	1.4
185.13300	1.7
187.07529	1.4
187.11125	1.6
189.05464	3.5
189.11191	2.3
189.12715	2.6
191.10751	3.5
193.10391	1.9
193.12222	40.0
197.13275	1.4
199.07767	1.3
199.11198	1.7
201.12764	1.1
205.12238	1.9
209.11607	1.6
209.13438	1.7
211.13284	41.3
212.13847	1.1
213.12766	1.5
219.13837	1.5
219.15924	1.0
223.11229	1.1
223.13191	1.3
227.12672	5.6
229.14326	1.4
233.15327	1.5
235.13353	2.9
249.14961	2.8
255.13760	2.5
259.13254	2.7
265.14508	1.8
267.15939	13.6
271.13309	1.9
273.14740	9.5
275.16479	1.5
277.14423	1.2
283.13034	1.4
283.15686	1.5
285.17163	8.9
289.07214	1.6
289.14316	1.1
301.14291	13.8
303.15811	1.2
315.16531	1.2
319.15408	8.3
325.18216	1.1
337.16360	4.8
349.22101	1.1
355.17526	3.0
367.22839	2.8
375.18204	3.6
385.23752	3.8
393.19003	4.7
403.24939	1.6
411.20129	3.5
441.26334	1.7
459.21396	1.6
459.27319	8.0
477.28488	6.9
493.25970	1.6
495.29568	4.5
501.28802	1.6
539.30493	1.4
567.29596	1.7
573.30371	2.9
585.30225	7.3
603.31488	11.0
621.32642	57.9
622.32953	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	621.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84512	0.5
51.48427	0.6
58.00874	0.5
70.14989	0.8
70.15395	2.5
71.97755	0.6
97.28193	0.6
219.03366	0.6
219.08971	0.6
375.16040	1.6
377.17480	0.8
385.15533	0.7
387.16083	1.8
388.16849	1.5
389.17551	5.2
390.18329	1.9
401.17657	2.0
402.14026	0.7
402.18506	1.6
403.19385	7.1
404.20215	3.3
405.20807	2.5
415.19507	1.2
416.15665	1.1
416.20575	1.2
417.16028	4.8
417.20908	3.7
418.17184	1.0
418.21658	1.4
419.22379	11.6
420.22592	0.7
429.21176	0.8
430.17715	2.3
431.18094	9.6
432.19229	5.1
433.20221	2.1
443.18967	0.7
444.19431	0.9
445.20032	8.9
446.20874	7.7
447.21826	16.7
456.18686	0.7
457.20184	0.7
459.17471	2.4
459.21982	3.5
460.18546	1.2
461.19525	1.8
473.18951	1.6
473.23959	1.2
474.20401	16.7
475.21240	23.5
476.21609	1.0
487.21359	6.2
488.22031	2.3
501.22568	3.5
502.23328	0.8
505.25882	1.8
517.22272	0.6
518.23297	1.0
529.22473	1.1
533.25464	17.0
546.22479	1.5
561.24933	99.2
562.25299	3.8
589.24426	2.5
593.27563	3.2
621.27045	100.0
622.27380	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	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.09474	0.4
70.21700	2.2
79.68642	0.4
134.71034	0.5
154.08827	0.5
158.98108	0.4
279.65997	0.6
324.15067	0.4
338.85031	0.4
375.15961	0.8
376.17661	0.5
387.16025	0.7
388.16739	1.0
389.17609	3.6
390.18451	1.5
391.19238	0.7
401.18167	1.1
402.18893	0.7
403.14694	0.9
403.19415	5.1
404.19888	2.5
405.20795	2.8
415.19635	1.0
416.15536	0.9
416.20358	1.4
417.17026	4.2
417.21027	3.1
418.17368	1.0
418.22174	1.0
419.22342	8.5
420.23108	0.8
429.21085	0.6
430.17657	0.9
431.18146	7.0
431.23508	0.9
432.19180	2.7
433.20032	2.8
443.18893	0.9
444.19656	0.5
445.20074	6.2
446.21036	7.6
447.21774	10.1
447.27594	0.7
448.23044	0.5
458.20166	0.5
459.22852	2.5
460.23267	0.6
461.19720	1.7
473.19608	1.4
474.20438	6.0
475.21262	6.8
476.22073	0.6
478.23560	0.9
487.21353	2.3
488.22256	1.2
489.22913	0.6
491.21033	1.3
501.22739	2.3
505.25769	1.5
518.22998	0.8
519.20081	0.9
529.21960	0.6
533.25433	14.4
534.25830	1.1
546.22760	0.7
561.24890	21.1
562.25165	1.5
589.24548	1.0
593.27429	3.2
621.27020	100.0
622.27472	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	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.48527	0.7
67.05508	0.7
70.13785	0.8
95.08604	0.8
108.48927	0.7
184.07314	0.9
200.32385	1.1
389.17728	2.2
390.18503	1.0
401.17990	0.9
402.18488	1.2
403.19235	2.2
404.19980	1.0
405.20816	1.9
415.19681	0.8
417.16632	1.7
417.21310	1.3
419.22318	4.4
431.18506	3.0
431.22855	2.1
432.19580	1.2
445.20203	3.2
446.20901	2.9
447.22107	6.2
459.17877	2.6
459.22882	1.1
460.18384	1.1
461.19440	4.0
473.19379	1.6
474.20468	9.2
475.21198	15.7
476.21735	1.4
487.21503	3.3
501.22839	2.8
505.25439	1.4
518.23022	1.2
529.23138	1.0
533.25500	8.2
546.22614	1.3
561.24951	36.8
562.25409	2.9
593.27417	0.9
621.27051	100.0
622.27271	5.9
637.91736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
57.67871	0.6
59.26284	0.6
60.33966	0.7
62.88239	0.6
65.03925	0.9
67.05502	1.3
71.72908	0.8
71.73287	0.7
79.05478	1.2
81.07062	4.4
83.01334	3.3
83.04967	0.7
85.19760	0.7
91.05474	20.0
93.07024	0.9
95.04960	1.8
95.08598	1.4
103.05485	3.6
105.03395	2.7
109.06534	2.4
109.10132	0.6
115.05481	1.9
117.07043	0.7
121.06541	0.8
125.06003	1.8
127.07532	3.3
131.04910	9.3
135.38451	0.6
137.05992	0.7
139.03897	0.7
149.05975	2.0
151.07483	1.2
152.06223	1.2
153.05447	0.7
155.04930	1.9
165.06995	2.2
166.07907	0.7
167.03398	1.7
167.07172	0.7
167.08548	15.4
169.08646	0.6
177.05492	1.5
178.08011	0.6
179.03342	0.9
179.07069	0.9
180.04150	0.6
181.04903	3.5
186.94888	0.6
191.08575	1.3
193.10155	1.9
195.06520	8.3
202.07794	5.6
213.07513	3.9
215.08549	2.8
216.09381	1.8
217.10204	2.3
225.05435	0.7
229.10263	1.5
230.10936	0.8
257.09659	1.2
259.11090	0.9
277.08582	0.9
280.79816	0.8
285.09146	1.2
291.10275	1.9
299.12897	2.0
305.11923	1.2
307.09659	1.6
308.10571	2.3
315.10187	1.0
319.09610	6.9
320.10303	3.6
321.11310	1.8
323.12729	7.8
332.10599	0.9
333.11194	19.0
334.11813	4.7
335.12866	2.8
346.08420	1.0
347.09094	4.3
347.12732	1.0
355.13391	0.9
361.10712	2.8
392.14407	0.7
395.12784	2.8
396.13507	4.8
397.14273	1.5
409.14301	8.5
410.15085	3.4
411.15836	7.2
419.12918	0.9
420.13510	4.8
425.17459	13.2
435.15143	0.7
437.13849	2.0
438.14499	3.9
453.16965	35.6
454.17514	0.8
503.67465	0.7
603.23767	1.4
621.24786	100.0
622.24756	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.8
71.04986	0.3
79.05475	0.7
81.03402	0.3
81.07039	1.8
83.01321	0.9
83.04953	0.4
83.08590	0.4
89.26359	0.2
90.79930	0.2
91.05446	0.6
93.07034	0.7
95.04955	0.8
95.08596	0.6
97.10125	0.4
98.21437	0.8
103.05444	1.0
109.06467	0.4
114.53915	0.3
119.08562	0.3
121.06431	0.3
124.05215	2.5
125.05969	0.3
127.07517	0.9
128.06207	0.7
129.06906	0.5
131.04919	2.6
132.96346	0.3
139.03860	1.8
147.07938	0.3
149.05963	1.1
152.04611	1.3
155.04892	0.9
155.06013	0.3
156.17981	0.3
167.03384	12.3
177.05429	0.7
180.04153	3.4
181.04951	0.7
195.06506	5.3
198.05219	2.7
213.07568	1.9
245.09515	0.4
247.07379	0.6
261.09189	0.5
262.09857	1.5
273.18039	0.2
277.12180	0.4
279.09842	0.4
280.10895	0.4
285.11127	0.9
289.08618	0.8
290.09326	4.3
291.09964	0.5
299.12787	4.7
305.11691	0.8
307.09607	15.3
308.10391	27.3
309.10648	0.3
323.12732	100.0
324.13159	1.6
377.01358	0.3
510.62958	0.3
621.24933	1.6
621.40186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08389	0.9
53.03937	1.9
55.05509	7.4
57.03433	8.3
59.04984	2.5
60.46503	0.9
61.02913	2.9
67.05500	64.3
69.03426	1.8
69.07063	7.3
70.19228	2.2
70.19634	4.1
71.04973	3.7
73.02894	1.6
79.05488	15.0
81.03405	3.4
81.07047	32.7
81.11665	0.9
83.04967	2.4
83.08609	8.3
85.02884	3.2
85.06534	2.6
91.03952	2.0
91.05478	10.7
93.07039	17.2
93.20730	0.8
95.04945	1.9
95.08600	7.9
97.02885	2.8
97.06516	3.8
99.08083	0.9
105.07015	3.8
107.08586	11.2
109.06445	1.3
109.10146	47.0
111.08067	3.8
113.09669	1.5
117.07004	3.4
119.04929	2.1
119.08587	4.9
121.10106	4.4
123.11646	1.8
128.99232	1.0
131.08568	3.4
133.10100	3.1
135.11667	3.4
137.09610	1.7
147.04382	8.0
147.11662	1.8
148.04778	2.7
149.13239	9.0
155.10648	2.5
158.62337	0.9
159.11670	4.8
160.25156	0.9
173.11731	11.1
177.12692	1.9
180.31381	1.0
195.13770	5.7
208.91562	0.9
229.14340	41.9
234.94620	1.0
266.94022	0.9
269.17474	31.3
271.52423	0.9
396.07947	1.6
423.27380	100.0
424.27869	3.5
621.32800	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.399
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
54.25933	1.0
55.05509	6.1
57.07063	4.0
65.35725	1.3
66.00660	1.2
67.05495	6.1
69.07063	6.4
70.91338	3.7
73.96518	1.2
79.05488	3.6
79.18567	1.2
81.07058	14.0
83.08618	5.0
87.04472	10.5
88.04784	1.4
91.05481	15.1
93.07041	10.0
95.08601	23.7
97.10149	1.8
98.63834	1.2
105.07022	15.2
107.04992	1.1
107.08586	17.2
109.10149	13.0
117.07029	2.0
119.04931	25.4
119.08574	24.0
121.10136	15.2
123.08031	1.5
123.11681	6.2
128.08189	1.3
129.06996	1.8
131.08559	4.6
133.10120	15.8
135.11682	10.9
137.13229	2.8
143.08517	1.8
145.10118	9.1
147.04402	100.0
147.11664	13.3
149.13234	8.1
151.14799	1.5
157.10107	2.1
158.10838	1.7
159.11699	9.5
160.12502	1.9
161.13228	7.3
163.14799	8.0
165.05464	28.5
171.11705	2.3
173.13274	4.2
175.14801	11.9
177.16368	11.6
185.13255	1.4
187.14819	5.3
189.16379	22.6
191.17992	4.3
197.13158	1.2
199.14799	1.4
201.16377	18.3
203.17940	26.3
205.15860	2.0
207.17491	5.2
211.14772	1.3
213.16304	6.0
215.17964	17.3
217.19429	2.3
225.16444	2.2
227.17896	2.0
229.19449	2.5
235.16887	3.4
241.19498	3.2
243.21159	1.8
247.16959	3.2
249.18385	2.2
255.21245	2.0
259.16913	1.4
261.18518	6.2
313.27328	1.4
391.33691	5.2
409.34540	10.4
411.32303	7.7
437.34119	26.2
527.84900	1.3
614.93073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.05499	5.8
57.07058	3.2
65.03939	2.3
67.05499	10.1
68.78677	1.7
69.07067	11.1
71.51565	3.6
79.05475	8.5
81.07046	19.1
83.08590	6.6
84.95264	1.7
91.05467	15.2
93.07027	17.7
95.04961	3.0
95.08604	35.6
97.10147	2.8
105.07014	16.6
106.84827	1.7
107.08591	24.3
109.10137	17.3
117.07071	2.4
119.04918	24.8
119.08557	19.3
121.10155	21.5
123.11710	9.7
126.13097	1.9
131.08560	6.4
133.10117	9.6
135.11679	19.4
137.13237	9.1
139.26714	1.9
143.08542	5.1
145.10138	9.5
147.04393	100.0
147.11665	13.0
149.13239	17.1
151.14789	2.0
159.11679	7.4
161.13217	8.4
163.14804	6.6
165.05470	28.6
171.11667	6.5
173.13235	5.5
175.14777	7.7
177.16394	17.1
179.14275	2.1
185.13171	2.2
187.14821	6.7
189.16368	12.5
191.17911	6.2
199.14792	4.0
201.16379	13.2
203.17957	30.0
204.77205	1.8
205.15565	1.9
213.16417	6.7
215.17908	7.9
217.19498	1.9
239.17828	2.5
241.19527	3.8
255.20969	2.7
259.16943	6.8
287.20078	3.0
287.97714	1.7
299.20038	2.6
309.11758	2.0
391.33585	7.3
409.34659	8.7
411.32297	5.9
437.34100	19.5
479.75787	2.2
586.41388	2.5
619.44067	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	619.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01870	2.9
55.05507	25.7
65.03924	1.7
67.05486	1.5
68.92931	0.4
68.99787	1.6
69.03409	1.8
71.04970	0.7
71.45420	0.4
71.72952	0.5
79.05487	1.9
81.03409	1.9
81.07056	1.7
83.04971	100.0
83.93856	0.4
84.05305	0.7
85.02881	0.7
91.05467	6.8
92.02621	0.9
93.03379	1.9
93.07034	1.8
95.04958	11.4
95.08604	0.8
103.05464	1.1
105.04520	0.7
105.07024	1.2
107.04952	7.3
107.08621	0.8
109.02856	0.6
110.03725	0.6
111.00803	0.7
111.04433	49.9
117.07008	1.0
119.04929	15.0
119.08575	0.9
120.05716	1.8
121.02837	4.6
121.06519	2.0
123.04416	22.0
125.02351	0.5
127.03907	0.6
128.06183	0.6
129.05484	1.6
129.06992	1.0
131.04886	0.7
131.08549	0.9
133.06541	0.6
133.10135	0.5
135.04416	1.3
137.02330	10.5
137.03366	0.9
144.05716	0.5
145.06490	1.9
147.04391	11.3
149.02386	0.9
149.05933	0.5
150.10925	0.5
151.00256	0.9
151.03882	0.5
153.01810	8.3
153.05429	1.0
154.62172	0.4
155.08601	0.4
157.06456	0.8
159.04462	0.9
159.07999	1.5
161.02313	1.2
161.05994	0.6
163.03918	1.5
165.01825	3.8
165.05458	8.3
165.06819	0.8
166.02631	0.8
167.03391	0.7
167.08603	0.7
169.06549	0.7
171.06602	0.8
171.08049	0.8
173.05992	1.6
175.03883	1.1
177.05545	0.6
179.03456	0.7
183.02924	1.9
185.09622	0.5
187.03935	0.8
187.07559	1.8
189.01878	0.5
189.05447	2.1
191.03380	1.0
193.01399	0.6
193.04889	0.7
195.08102	0.8
197.00853	0.5
197.06001	1.0
199.03850	0.9
201.05428	1.9
203.03358	3.3
207.13745	0.5
211.03931	1.0
211.07613	1.1
213.05562	0.9
213.09074	4.6
215.03456	0.7
215.07054	1.9
216.04153	0.6
217.04962	8.0
218.05696	1.1
221.04417	0.9
227.03558	0.9
228.04198	0.8
229.04933	3.6
229.08603	1.2
230.05711	0.9
231.02951	0.8
233.08109	0.5
239.06960	1.0
241.05000	1.4
244.03662	0.6
245.04430	10.4
246.05153	1.2
253.05016	0.6
255.02922	0.4
257.04486	3.2
257.08002	0.7
258.05164	0.8
258.08817	0.8
259.06091	0.8
267.06693	1.0
269.04297	1.0
272.03067	0.7
273.03888	9.4
274.04712	1.6
279.06509	1.3
281.04553	0.6
283.06018	0.5
285.03903	5.2
286.04706	1.8
287.05396	2.8
295.06046	1.7
296.06747	0.6
297.03928	1.0
297.07321	0.5
298.04724	1.0
299.05536	0.6
301.03391	17.9
302.04141	10.6
303.04968	20.9
309.07568	0.9
310.31323	0.5
311.05579	0.6
313.03522	2.7
313.06891	0.7
314.04169	10.1
315.04950	29.6
316.05634	1.1
319.06122	0.8
321.07605	0.6
323.05612	1.5
324.06332	0.8
325.07004	1.3
327.01410	0.8
327.04990	5.7
328.01932	2.3
329.02847	6.0
330.03769	0.5
337.03320	0.6
337.07077	1.3
338.07813	0.8
339.04941	1.3
339.08728	0.9
340.06000	0.9
341.06583	2.1
342.03735	0.7
342.07373	0.9
343.04468	0.6
343.08020	2.8
345.06119	1.4
347.05319	0.8
348.06293	0.6
349.07040	0.8
351.05011	1.5
351.08783	1.0
352.05756	2.6
353.06555	5.5
354.03619	2.6
355.04163	2.2
357.06058	3.5
365.06482	1.9
366.07245	2.7
367.08170	4.2
369.05908	2.4
370.06961	2.0
371.03796	0.8
371.07703	5.9
377.06619	1.6
379.04248	3.2
383.07574	0.8
385.09225	0.6
393.06055	1.9
394.06799	16.3
395.07578	15.7
395.12714	0.8
397.05624	0.5
407.07809	1.2
411.07056	1.0
413.08539	2.5
419.07645	0.9
421.09122	11.6
433.09085	4.9
437.08615	4.4
447.07196	1.2
448.08591	0.4
449.08588	4.9
455.09882	1.4
459.10803	0.8
461.08716	1.7
467.09680	7.1
471.10764	3.7
473.08627	0.8
475.07098	0.7
479.09763	11.8
485.12439	1.0
487.10117	0.5
489.11789	7.0
490.11969	0.6
493.07739	3.0
495.09750	0.6
499.09912	1.6
501.07922	1.0
503.13016	0.7
505.11243	0.8
507.09064	1.0
509.10791	1.0
513.11792	8.4
514.12231	0.5
517.11206	8.3
519.08984	2.4
521.10724	10.5
531.12842	6.5
535.12622	17.4
536.12708	0.7
541.11298	4.6
549.13965	1.1
559.12292	43.4
560.12805	1.6
561.10352	4.2
573.13867	0.5
577.13354	24.5
578.13959	0.8
601.13318	22.7
602.13556	0.8
607.55225	0.5
619.14386	2.5
619.34106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
52.41889	0.4
53.03939	2.6
55.01869	2.5
55.05506	24.0
65.03925	1.2
67.05499	2.1
68.99792	1.7
69.03422	1.2
70.82306	0.6
70.82639	0.7
71.04987	0.7
79.05492	1.6
81.03416	2.1
81.07060	2.2
82.04200	1.0
83.04974	100.0
84.05308	0.6
85.02897	0.9
87.18111	0.4
91.05482	5.7
92.02617	1.1
93.03415	1.3
93.07026	2.2
95.04960	8.8
95.05526	0.8
95.08587	1.0
97.02900	0.7
99.04519	0.5
103.05466	1.8
105.07018	1.8
106.40165	0.5
107.04944	6.0
107.08654	0.5
109.02857	0.6
109.06508	1.1
111.04433	46.6
112.04781	0.6
115.05436	0.4
117.06999	1.0
119.04063	0.8
119.04927	13.5
119.08556	0.8
120.05696	0.8
121.02862	3.1
121.06563	1.0
123.04420	20.9
123.08034	0.4
129.05501	1.3
129.07033	0.9
131.04913	1.1
131.08583	1.1
133.02927	0.6
133.06509	0.8
133.10143	0.6
135.04428	1.5
137.02341	8.4
137.03368	0.5
137.05914	0.6
141.01746	0.6
141.06956	0.8
145.06514	1.2
147.04398	9.6
147.11684	0.6
153.01816	8.4
157.06517	1.1
159.04469	0.5
159.08070	1.5
161.02423	0.6
161.06003	0.9
161.09605	0.5
163.03923	1.7
165.01787	2.3
165.05493	8.4
165.06847	0.4
166.02620	0.7
167.03304	0.6
169.06551	0.7
171.04445	0.9
171.06509	0.7
171.07973	0.8
173.06017	1.8
175.03874	0.9
183.02884	1.7
183.08063	0.5
185.06023	0.7
187.03859	0.7
187.07582	1.7
189.05489	1.5
191.03394	0.8
191.07127	0.6
197.00787	0.7
197.05968	1.3
199.03882	0.6
201.05524	1.6
203.03392	3.1
207.13794	0.6
211.07555	1.2
213.05731	0.6
213.09081	4.1
215.03406	0.5
215.07063	1.9
217.04958	7.5
218.05562	0.5
227.03351	0.5
228.04115	0.8
229.04909	2.5
229.08640	0.7
231.02826	0.7
239.06935	0.7
241.04909	1.2
245.04413	8.4
245.06915	0.5
246.05144	0.7
251.07036	0.8
255.06610	0.7
257.04361	2.1
258.05298	0.8
258.09055	0.6
259.06009	0.7
267.06610	1.0
269.04379	1.0
270.05380	0.5
273.03940	6.8
274.04724	1.6
279.06604	0.6
283.05853	0.5
285.03860	3.4
286.04733	1.3
287.05493	2.7
295.06140	1.6
297.04263	0.7
299.05487	0.9
301.03403	18.0
302.04187	9.3
303.04956	16.5
305.04272	0.6
307.05963	0.7
309.07632	0.7
313.03339	2.9
313.06738	0.6
314.04190	7.7
315.04974	26.3
316.05481	1.4
323.05579	1.0
324.06259	0.9
325.07037	1.4
327.04993	4.8
328.02158	2.2
329.02838	5.9
330.03802	0.6
331.04770	0.6
335.05435	0.6
337.07281	0.9
339.04910	0.5
341.02921	0.5
341.06735	1.8
343.04535	0.8
343.08261	2.1
345.05896	0.6
348.06424	0.6
349.06961	1.0
351.05078	1.4
351.08859	0.8
352.01678	0.5
352.05533	2.2
353.06641	4.1
354.03809	2.1
355.04422	1.0
357.05804	2.6
365.06625	1.7
366.07285	2.5
367.08112	3.8
369.06107	1.8
370.06815	1.9
371.03629	0.6
371.07693	6.7
377.06705	1.4
379.04492	2.2
393.06067	1.7
394.06830	13.7
395.07581	16.0
396.07831	0.5
411.07141	1.0
413.08743	1.6
421.09082	11.9
433.09189	2.6
437.08728	3.2
447.07346	1.2
449.08542	3.5
459.10699	0.7
461.08716	1.8
467.09717	6.2
471.10635	3.6
473.08554	0.6
477.11679	0.5
479.09741	8.7
485.12000	0.8
489.11743	7.2
493.07892	3.1
499.10281	1.2
503.13513	0.7
505.11349	1.1
507.09015	1.0
509.11105	0.7
513.11719	7.9
517.11346	6.6
519.08875	2.3
521.10760	9.5
531.12830	6.9
535.12567	18.5
536.12683	0.7
541.11206	4.1
549.14380	1.0
553.09894	0.6
559.12341	35.8
560.13000	1.4
561.10510	3.5
577.13409	21.2
578.13733	1.0
601.13336	18.9
602.13892	1.0
619.14673	2.6
619.35077	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	619.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01869	2.8
55.05507	28.2
59.04897	0.5
65.03934	1.5
67.05494	2.7
68.99789	1.4
69.03406	1.2
70.90243	1.2
70.90614	1.0
71.04979	0.6
71.05394	0.4
77.82679	0.6
79.05491	2.0
79.95210	0.5
80.18433	0.5
81.03407	2.0
81.07056	2.0
83.04974	100.0
83.08612	0.7
85.02903	1.3
91.05474	7.4
92.02620	1.1
93.03407	1.5
93.07036	2.0
95.04955	13.1
97.02868	0.6
103.05473	1.4
105.07053	1.5
107.04953	6.7
107.08614	0.8
109.02895	1.3
109.06535	1.1
111.00784	1.0
111.04436	57.0
114.49813	0.5
115.05457	0.8
117.07011	1.2
119.04940	17.1
119.08573	0.5
120.05714	1.1
121.02832	2.7
121.06494	1.5
123.04421	23.6
127.03888	0.7
128.06232	0.6
129.05493	1.4
129.07011	1.3
131.04962	1.3
131.08592	1.9
135.04395	1.7
137.02330	11.4
141.01836	0.8
141.07018	1.0
145.06487	1.6
147.04393	12.5
147.11621	0.7
149.02380	1.2
153.01828	6.5
153.07005	0.7
157.06491	1.0
159.04396	1.0
159.08078	1.9
161.02390	0.9
161.05969	1.1
163.03935	2.1
165.01871	3.3
165.05478	8.1
167.03392	0.7
169.06450	0.7
171.04393	1.2
171.06613	0.8
171.08015	0.8
173.06029	2.3
175.03964	1.1
183.02914	1.6
183.08040	0.7
185.06007	1.1
187.03920	1.0
187.07590	2.3
189.05453	1.4
191.03365	0.9
193.01411	1.0
193.05080	0.6
201.05513	1.8
203.03381	3.5
211.07465	1.0
213.05428	0.8
213.09067	4.9
215.03519	0.8
215.07045	1.9
217.04961	6.8
217.06903	0.6
228.04248	1.1
229.04927	3.6
229.08694	1.1
231.03024	1.1
239.07072	1.0
241.05025	1.7
244.03798	0.6
245.04488	7.6
251.07156	0.7
253.04926	0.8
255.06468	0.7
257.04382	2.5
257.08221	1.1
258.05301	1.1
259.06104	1.1
267.06683	1.0
269.04440	1.2
273.03943	8.1
273.06573	0.8
274.04764	2.0
279.06363	0.8
281.04639	0.8
285.03952	4.1
286.04858	1.2
287.05551	2.8
295.06210	1.2
297.07632	0.7
299.05551	0.9
301.03403	17.7
302.04190	10.8
303.04950	19.5
309.07742	0.7
313.03491	3.0
313.06863	1.0
314.04208	9.3
314.07480	0.4
315.04965	33.2
316.05630	1.5
321.07736	1.3
323.05597	1.2
324.06409	1.0
325.03622	0.6
325.07162	2.3
327.04935	4.5
328.02249	2.9
329.02841	5.7
337.07211	1.1
339.04865	1.1
339.08643	0.6
341.06442	3.0
343.04517	0.9
343.08194	2.9
345.06189	2.2
348.06296	0.6
349.06830	0.8
351.05032	1.7
351.08752	0.8
352.05780	2.9
353.02740	1.0
353.06549	5.1
354.03885	2.3
355.04507	1.9
357.06082	4.3
365.06540	1.6
366.07492	2.9
367.08063	3.8
369.06161	2.1
370.06876	2.1
371.03604	1.1
371.07666	6.7
376.05658	0.8
377.06525	2.5
379.04489	3.9
385.09140	0.6
391.08710	0.7
393.06097	1.7
394.01660	0.8
394.06796	14.5
394.11588	1.0
395.07587	16.8
397.05682	0.7
407.07706	0.6
409.08990	0.6
411.07462	0.7
413.08752	2.9
419.08142	1.0
421.09210	8.7
433.09335	2.6
437.08667	5.2
447.07635	0.8
449.08633	3.1
455.10016	1.3
459.10803	1.4
461.08295	1.0
467.09805	5.8
471.10837	3.6
473.08807	0.8
479.09653	7.4
485.11984	0.8
489.11819	9.7
493.07474	2.4
499.10181	1.4
505.11163	1.2
507.09155	0.8
509.10849	0.7
513.11823	6.8
515.13214	0.5
517.11328	8.4
519.09277	1.8
521.10760	12.2
531.12793	6.7
535.12628	19.0
541.11377	2.6
553.09521	0.9
559.12323	36.9
560.12329	0.7
561.10413	3.3
573.13934	0.9
577.13379	24.1
578.13409	1.0
601.13403	25.0
602.14063	0.9
619.13989	2.6
619.23230	0.9
619.34625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5131
Annotation	1,3-Dilinolein
Peak:m/z	Relative Intensity
53.03952	4.1
55.01856	3.2
55.05282	2.9
55.05512	37.6
57.03419	8.6
57.07068	15.9
65.03913	2.9
67.05151	5.0
67.05500	80.5
69.06751	4.5
69.07067	52.2
70.45179	12.8
71.08605	9.9
72.68925	3.2
78.17030	3.0
79.05488	37.2
81.07053	100.0
81.16295	2.8
83.08611	25.7
85.06544	6.1
85.10192	2.7
87.04494	4.1
89.93266	3.2
91.05465	22.1
93.07041	58.3
95.04972	7.2
95.08601	84.4
97.06512	5.9
97.10168	19.5
98.20695	3.4
98.38512	2.6
99.08065	3.0
105.07038	28.0
107.08598	31.3
107.86729	3.0
109.10156	34.9
111.08066	6.0
117.07022	6.1
119.08554	25.7
121.10139	34.5
123.11703	16.8
131.08554	16.8
133.10161	18.0
135.11705	24.1
137.13249	9.9
139.11176	3.8
143.08578	4.2
145.10155	17.6
147.11662	12.0
149.13223	13.7
157.10136	4.0
159.11642	7.5
161.13235	8.0
163.14806	6.8
171.11760	3.6
173.13223	6.3
175.14784	7.5
177.16397	4.3
187.14842	4.6
207.20483	3.0
215.17975	3.4
218.40408	3.6
231.21472	3.2
244.30444	3.3
261.22144	5.9
275.23712	3.6
337.27518	4.7
339.28754	5.3
525.46649	6.5
543.48114	3.4
599.50330	11.8
617.41138	5.0
617.51373	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01858	2.8
55.05503	28.6
65.03933	1.7
67.05493	1.4
68.99797	1.3
69.03408	0.9
70.76382	1.0
70.76745	0.8
71.04970	0.8
71.37005	0.5
74.09741	0.4
79.05473	1.4
81.03400	1.1
81.07049	1.0
83.04968	100.0
84.05288	0.7
88.28081	0.4
89.10173	0.5
91.05457	6.4
92.02635	0.8
93.03399	1.1
93.07027	1.3
95.04956	12.7
95.08547	0.5
97.02843	0.4
97.06539	0.4
99.04455	0.5
103.05463	1.9
105.04530	0.6
105.06995	0.8
107.04948	7.1
107.08558	0.8
109.02842	0.7
109.06467	0.6
111.04426	58.0
112.04763	0.5
113.65369	0.5
115.05473	0.7
117.06997	1.0
119.04930	16.9
120.05699	1.7
121.02863	4.3
121.06485	1.3
123.04417	24.5
127.03908	0.5
128.06230	1.0
129.05458	1.2
129.06950	0.8
131.04895	1.3
131.08572	1.4
133.06470	0.8
135.04411	1.5
137.02324	11.5
137.03357	1.1
137.05923	0.7
141.01820	1.0
141.06966	1.1
145.06474	1.1
146.77176	0.5
147.04384	12.1
149.02318	1.0
150.03156	0.5
151.03900	0.5
153.01810	6.8
153.07057	0.4
157.06461	1.3
159.04454	0.9
159.08014	2.4
161.02306	1.0
161.05954	1.0
163.03871	2.0
165.01782	3.6
165.05467	9.1
165.06833	0.9
167.03403	1.2
169.06474	1.3
171.04391	0.8
171.06561	0.7
171.08022	0.5
173.05937	2.9
175.03871	1.2
177.05414	0.5
179.03427	1.1
183.02864	1.4
183.08066	0.7
185.05904	1.5
187.03857	1.4
187.07521	2.5
189.05467	1.6
191.03368	1.1
192.04367	0.6
193.01204	0.8
193.04932	0.9
197.00749	0.5
197.05981	0.8
201.05450	2.0
203.03343	4.0
205.04936	0.5
211.03929	0.6
211.07550	1.6
213.05363	0.9
213.09059	4.6
215.03299	0.8
215.06984	1.7
217.04939	7.4
218.05682	0.8
223.02470	0.5
227.03375	1.2
228.04166	1.1
229.04945	3.8
229.08560	1.3
230.05562	0.7
233.04448	0.7
239.06973	0.6
241.04941	1.4
243.02989	0.7
244.03546	0.6
245.04411	8.7
246.05128	1.1
253.04863	0.7
255.02742	0.5
255.06436	1.0
257.04391	3.4
257.07956	1.2
258.05188	0.9
258.08823	1.2
259.05920	0.6
267.06363	0.9
269.04477	1.0
270.05106	0.6
273.03888	10.4
274.04562	2.3
279.06445	0.6
281.04263	0.7
283.05920	0.7
285.03900	4.8
286.04608	1.6
287.05469	3.1
295.05981	1.2
297.03952	0.6
298.04684	0.7
299.05423	1.2
301.03369	18.0
302.04178	10.6
303.04926	21.9
313.03345	3.5
313.06958	0.9
314.04160	10.3
315.04947	35.5
316.05484	1.2
321.07486	0.9
323.05313	1.3
324.06317	1.1
325.07040	1.8
326.03961	0.6
327.04916	5.5
328.02005	2.0
329.02875	7.9
330.03561	1.0
337.06995	1.2
338.07651	0.7
339.04831	1.0
339.08444	0.6
340.05759	0.8
341.02887	0.6
341.06525	2.5
342.07175	0.5
343.04440	0.8
343.08032	3.2
349.06955	0.8
351.04807	2.0
351.08728	0.6
352.05786	3.3
353.02643	0.6
353.06537	6.1
354.03571	2.3
355.04401	1.9
357.05997	3.8
357.62219	0.5
365.06470	1.8
366.07245	2.9
367.08093	3.9
369.05914	2.7
370.06677	1.9
371.03723	1.3
371.07709	8.0
377.06342	2.0
379.04395	3.2
393.05762	1.4
394.06796	15.0
395.07556	17.1
411.07092	1.4
412.07947	0.6
413.08643	2.6
421.09070	8.7
433.09067	3.4
437.08646	4.7
447.06537	1.2
449.08569	3.6
455.09485	0.6
459.10800	1.1
461.07980	1.1
467.09698	6.6
471.10684	3.9
473.08105	0.9
475.06934	0.7
477.11493	0.7
479.09680	7.5
485.11996	1.5
489.11795	9.1
493.07776	3.4
499.10025	1.0
503.12985	1.1
505.11084	1.0
507.08737	1.2
509.10367	0.6
513.11719	6.8
517.11267	7.7
519.09033	2.4
521.10754	11.2
523.10736	0.5
531.12799	7.3
532.12933	0.6
535.12549	21.9
541.11359	3.4
549.13068	0.7
553.09540	0.6
559.12311	35.7
560.12213	1.2
561.10199	3.9
573.13605	0.9
577.13385	23.8
601.13300	24.6
602.13062	1.2
619.13916	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	617.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
67.01836	0.6
67.05500	1.1
68.99420	0.5
68.99781	0.5
69.03431	0.7
69.07053	1.2
78.30173	0.4
79.05475	2.4
81.07049	16.9
83.00866	0.9
83.01337	15.1
83.04984	2.9
91.05469	2.6
93.07051	2.2
95.08580	0.8
96.74471	0.4
96.79502	0.5
97.06512	2.0
98.21510	1.0
99.08068	1.2
103.05458	0.7
105.03380	0.6
105.07007	1.8
107.04915	2.9
107.08572	1.4
109.06507	7.6
109.10110	1.0
111.04425	1.6
117.07015	3.7
119.08582	1.2
121.06479	1.9
121.10113	0.7
123.08057	0.8
123.11788	0.5
125.05982	5.7
127.07549	16.1
129.06987	1.8
131.04915	1.9
131.08499	1.2
133.10123	0.9
135.04401	9.4
135.08072	0.8
137.05954	1.1
139.07523	0.6
142.07835	0.6
143.08600	2.3
145.10095	1.8
147.08041	0.5
149.04842	0.7
149.05972	6.7
151.07480	1.1
152.04660	3.3
153.05455	6.4
155.08508	1.0
157.04977	0.8
157.10089	3.6
159.11670	0.5
161.06001	0.5
163.03888	6.3
163.07530	0.6
167.07050	3.1
169.08652	3.2
169.09955	0.7
171.11588	1.0
175.07532	1.7
177.05458	6.1
177.09097	8.3
181.10115	0.5
189.09065	1.0
191.10710	0.8
195.06519	100.0
196.06853	1.0
199.14890	0.6
203.10640	1.4
211.09605	1.3
213.07559	43.7
215.10580	0.7
231.10165	0.7
235.09668	0.9
249.11139	0.5
251.12772	5.6
257.11752	1.1
259.16986	3.0
299.12756	99.9
300.12988	1.8
307.16898	1.8
375.19403	2.8
567.27075	0.8
585.28052	2.0
599.29272	0.7
617.31226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05512	3.8
58.43474	1.5
59.05010	2.8
67.01860	4.0
67.05485	6.4
69.03421	3.0
69.07051	4.7
70.37516	6.7
79.05469	5.5
81.07047	22.3
83.01330	8.9
83.04965	6.4
83.08579	2.6
91.05462	16.1
93.07041	8.3
95.04980	4.4
95.08601	5.2
97.02885	2.1
97.06525	3.8
103.05455	3.1
105.07023	22.0
107.04940	20.6
107.08573	4.9
109.06527	8.4
109.10138	5.5
111.04419	1.8
117.07016	5.9
119.08580	7.4
121.06493	4.4
121.10111	1.9
123.08051	8.1
125.05983	3.0
127.07581	11.0
128.06221	3.6
129.06996	5.3
131.04919	13.8
131.08548	5.5
133.10139	3.8
135.04413	62.6
135.08003	2.2
136.54289	1.6
137.05983	5.8
139.07561	3.1
142.07797	2.6
143.08563	6.6
145.06473	2.4
145.10155	8.8
147.04410	4.6
147.08040	4.8
147.11586	2.3
149.05977	8.7
151.07539	25.4
152.04639	2.8
153.05469	15.4
154.07745	1.9
155.08559	3.4
157.06444	1.6
157.10118	7.4
159.08058	3.8
159.11716	3.4
161.05980	4.7
161.09540	1.8
163.03897	51.7
163.07561	4.0
167.07082	3.5
169.08598	100.0
169.10005	4.7
171.11725	4.3
173.06003	2.9
174.06769	2.3
175.07539	46.6
177.05466	6.6
177.09077	7.9
179.08508	1.6
181.08569	4.5
181.10159	4.2
181.11971	1.6
183.11739	1.8
187.11063	2.1
189.05376	2.1
189.09138	10.6
191.10590	1.9
195.06528	64.2
197.09619	2.2
201.05412	2.0
201.09157	2.0
203.06999	15.8
203.10651	3.3
207.10104	2.4
211.11269	2.5
213.07561	22.8
213.09430	2.2
215.10713	5.0
217.08586	7.6
221.15320	3.2
229.12273	5.4
231.10152	1.9
235.09633	46.7
239.10612	6.2
243.10210	2.6
249.11143	4.1
257.11658	12.2
259.16846	2.5
267.10144	2.1
285.11252	22.7
287.16272	2.9
299.12756	29.0
303.12280	3.3
317.13840	6.5
391.22745	3.1
399.19614	2.1
417.20624	29.1
431.22119	4.3
435.17816	3.7
453.19104	17.0
467.20645	3.8
485.21680	9.6
525.35272	1.8
567.27124	5.5
585.28522	10.6
599.30035	2.6
617.31360	5.5
617.41937	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	617.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.05501	5.6
67.01861	7.4
67.05495	6.6
69.03410	2.6
69.07058	4.6
69.57546	2.3
69.71964	16.8
72.04492	2.5
79.05473	9.8
81.03442	2.5
81.07052	30.4
83.01347	18.2
83.04966	4.1
83.08604	5.4
91.05478	28.3
93.07014	10.7
95.04941	4.7
95.08595	12.4
97.06528	4.0
98.20783	3.5
99.08055	2.9
103.05457	6.6
105.07027	42.7
106.17730	2.2
107.04938	29.1
107.08566	7.9
109.06522	11.5
109.10143	3.5
111.04391	2.7
115.05428	3.5
117.07045	11.3
119.08558	10.4
121.06483	7.5
121.10121	4.7
123.08045	9.6
123.11730	3.5
125.06002	8.6
127.07565	19.9
128.06192	3.5
129.06967	11.2
131.04941	12.9
131.08556	16.2
133.06541	3.3
133.10088	6.0
135.04405	87.2
135.08034	4.0
137.05942	5.7
138.22620	2.9
139.07544	3.4
141.07079	2.8
142.07849	2.9
143.08522	17.8
145.06537	2.9
145.10115	18.9
147.08017	6.1
149.05962	10.5
149.09618	2.7
151.07535	26.6
152.04620	3.6
153.05450	19.7
155.08524	4.2
157.06357	2.9
157.10126	15.2
159.08041	3.1
159.11722	6.3
161.05977	8.0
161.09578	3.7
163.03900	74.6
163.07549	4.5
165.09138	2.8
167.07062	9.6
167.10715	2.7
169.08601	99.3
169.10011	4.7
171.08188	2.5
171.11685	15.7
173.09671	3.2
175.07556	38.7
177.05434	9.5
177.09119	13.3
181.08607	5.7
181.12537	2.5
183.11649	2.9
189.05516	6.8
189.09099	16.5
191.10652	4.9
195.06519	100.0
195.11528	2.3
197.13234	3.5
203.07018	19.7
203.10664	6.6
207.10072	4.1
209.13252	2.7
211.09541	2.7
213.07550	42.1
213.16368	7.2
215.10704	6.3
217.08647	10.8
219.10049	2.9
221.15427	2.7
223.09674	3.7
229.08644	2.5
229.12231	7.0
231.10262	2.9
235.09688	21.7
239.10730	3.8
243.10129	4.3
249.11159	6.8
253.12207	2.9
257.11572	17.9
259.16895	3.2
267.10101	3.2
285.11224	19.2
285.14514	4.0
299.12769	42.6
303.12326	12.5
362.18805	2.5
389.21078	17.3
417.20633	9.5
421.24069	3.9
423.25430	2.9
431.22092	10.7
435.21579	3.3
449.23239	6.8
453.19098	26.6
467.20483	5.4
485.21521	7.9
520.06384	2.9
528.13214	2.7
567.27051	5.6
585.20660	3.6
585.28510	28.3
599.30292	5.7
617.31281	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	617.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68073	0.4
51.38518	0.5
54.86989	0.5
67.05486	1.1
69.07050	0.6
70.03812	2.4
79.05468	1.7
81.07046	17.3
83.01331	14.4
83.01835	0.7
83.04978	2.9
91.05469	6.2
93.07021	1.9
97.06512	2.0
103.05460	1.1
105.07001	1.2
109.06516	5.4
111.04405	1.9
121.06493	1.4
125.05980	5.1
127.07548	16.3
131.04866	0.6
135.04417	0.9
139.07497	0.8
149.05972	4.9
152.04648	3.5
153.05437	4.4
163.03859	1.0
167.03403	0.6
167.07057	3.9
177.05453	4.8
195.06512	78.5
196.06889	1.1
212.29274	0.5
213.07558	26.8
214.07843	0.6
215.10559	0.6
219.26743	0.5
239.10707	0.6
257.11758	1.2
281.11728	0.6
299.12750	100.0
300.13187	3.1
318.18350	0.6
322.55518	0.7
415.15536	0.7
435.56494	0.5
443.14859	0.9
456.18039	0.5
475.17477	1.4
562.41870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.113
Annotation	Myricetin 3-(4''-galloylrhamnoside)
Peak:m/z	Relative Intensity
51.02360	0.5
55.01867	0.4
68.99781	0.7
69.03429	2.0
70.42284	0.6
70.42669	0.8
79.01848	4.7
83.04974	0.8
85.02902	0.4
88.06585	0.3
97.02868	1.2
107.01306	0.9
109.02849	0.4
111.00767	0.3
111.04434	1.9
121.02848	0.4
125.02348	3.3
127.03887	0.5
129.05371	0.3
137.02420	0.4
139.03871	0.7
143.03386	8.3
151.03905	0.8
153.01813	100.0
153.02719	4.1
154.02139	0.7
161.02357	0.9
163.03940	0.8
165.01843	1.0
167.03354	0.9
177.01822	1.2
177.05389	0.4
179.03389	1.5
181.01196	0.5
183.02913	0.5
185.06010	0.8
189.01828	0.7
189.05565	0.4
191.03374	1.0
195.02879	1.1
201.05591	0.5
203.03363	1.0
203.09773	0.3
207.02895	3.8
213.05309	0.5
215.03525	0.4
217.05025	0.5
219.02930	1.6
219.06557	1.4
221.04497	0.7
229.04918	0.6
231.02882	0.4
233.04375	0.4
235.05835	0.4
237.03928	0.6
241.04955	1.3
245.04398	0.8
253.05037	0.4
255.02872	0.5
259.02448	0.6
259.05743	0.4
263.05505	1.4
269.04495	1.9
273.03970	0.5
281.06586	7.8
286.04825	0.4
287.05453	1.1
297.03888	2.9
299.07779	2.7
301.03470	2.0
303.04883	0.6
314.04199	0.9
315.04962	4.0
318.03656	0.7
319.04425	3.4
325.03510	0.9
328.99442	0.3
329.02850	9.1
331.04468	9.3
332.05103	1.1
343.04453	21.6
344.04785	0.6
345.05991	0.7
352.25195	0.4
355.04327	0.8
357.06042	1.6
359.03778	0.4
361.05508	21.0
369.06033	0.7
373.05478	2.4
383.07590	1.1
384.34546	0.4
385.05457	4.7
393.06122	0.4
403.06589	0.7
411.06940	3.5
429.08231	5.3
447.09222	5.8
448.09592	0.4
465.10202	5.7
513.06531	3.4
525.10815	0.3
556.32867	0.4
617.11383	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	617.1129
Annotation	Quercetin 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02367	0.6
51.15531	0.5
54.06686	0.6
54.61309	0.5
55.01861	0.5
55.29208	0.4
69.03420	1.0
70.73299	1.3
72.73707	0.5
79.01855	3.4
81.03390	0.8
82.01201	0.5
82.31644	0.5
85.02891	1.3
94.52664	0.5
97.02886	11.8
107.01313	0.9
109.02867	1.3
125.02322	2.6
127.03950	2.5
131.04912	3.0
137.02310	1.2
143.03400	5.4
144.52835	0.6
147.04340	0.5
150.93121	0.5
153.01817	100.0
154.02151	1.2
159.04405	4.8
161.06036	0.8
163.03905	2.1
165.01793	1.0
171.02913	1.9
175.03931	1.2
177.05472	1.8
179.03355	1.6
181.01328	0.9
187.03920	1.9
191.03389	2.8
193.05022	1.1
195.02885	0.7
201.05414	0.6
203.03448	0.8
205.04944	8.8
207.02861	10.5
207.04639	0.8
209.04453	0.9
211.02277	0.7
215.03342	1.3
217.04930	0.7
219.02956	0.6
221.04431	4.8
223.02423	0.7
229.04938	1.0
233.04456	11.6
235.02393	1.2
237.03900	2.2
249.03903	2.9
251.05547	1.6
261.03860	3.4
279.04974	6.3
297.06046	5.4
303.04993	20.7
315.07144	6.0
376.72406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1131
Annotation	Myricetin 3-(4''-galloylrhamnoside)
Peak:m/z	Relative Intensity
51.02375	0.6
55.05505	0.3
61.02932	0.2
68.99786	0.2
69.03427	0.8
70.09692	1.4
75.79771	0.3
79.01843	3.2
81.03365	0.3
83.04975	1.3
85.02930	0.4
97.02879	0.9
107.01315	1.1
111.04433	1.2
125.02346	2.7
140.11195	0.2
143.03386	6.0
153.01819	100.0
154.02144	1.0
163.03824	0.3
165.01796	0.5
175.08203	0.3
179.03249	0.3
181.01364	0.3
207.02916	0.9
213.05736	0.3
217.05016	0.3
219.06548	0.3
221.04367	0.4
234.10291	0.3
241.05023	0.3
245.04572	0.5
264.11984	0.2
273.04037	0.5
281.06656	2.0
285.03937	0.3
297.03922	0.7
299.07571	3.2
301.03537	0.6
303.05045	0.5
315.05099	0.7
319.04486	5.3
325.03311	0.4
329.02982	2.0
331.04489	2.2
343.04459	5.3
361.05502	4.4
378.71106	0.3
385.05441	1.1
411.07230	0.9
429.08109	0.9
447.09100	1.6
465.10071	1.3
513.06854	0.7
617.11188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00336	0.4
55.01868	0.4
57.03424	0.9
69.38828	4.5
79.01850	2.9
79.35899	0.4
81.03397	0.7
82.66808	0.4
85.02885	1.5
85.46712	0.4
91.75347	0.4
97.02888	0.7
107.01264	0.7
109.02837	0.8
115.05438	2.4
125.02342	1.9
127.03912	1.8
128.91029	0.4
130.04999	0.5
131.04930	0.8
139.03882	0.7
143.03397	3.0
143.04927	2.0
153.01817	41.2
153.02896	1.8
153.30441	0.5
154.61459	0.4
155.04877	1.0
159.04427	1.8
161.05934	0.8
171.02960	0.9
171.04379	7.5
175.03935	0.4
177.01978	0.4
177.05463	1.1
181.02811	0.4
183.04419	0.9
187.03920	3.9
189.05461	1.0
199.03879	9.1
203.03421	1.2
205.04987	0.7
209.02357	0.8
211.03920	1.9
213.05412	0.5
215.03380	6.8
217.05077	2.0
225.01759	0.5
226.09801	0.4
227.03380	9.5
229.04910	0.7
231.02821	1.1
233.04434	1.5
237.01788	1.1
239.03357	1.3
241.05081	0.9
243.02888	11.1
245.04404	2.9
247.02448	0.7
255.02817	8.6
255.05058	7.5
256.40433	0.4
259.02347	1.2
261.03867	2.4
269.04443	0.5
271.02344	12.7
273.03906	10.3
275.01944	0.7
277.03442	0.6
281.00891	0.6
283.02371	9.5
287.01956	0.5
287.05515	0.6
289.03381	7.0
299.01846	29.3
301.03384	21.4
302.00595	0.5
303.01276	2.8
305.02933	0.5
313.03333	0.8
315.01340	2.9
315.04880	0.9
316.02124	0.8
317.02893	6.6
327.01340	7.7
327.05084	0.5
329.02997	0.5
331.00879	0.9
339.01370	0.6
341.03006	0.8
343.04517	1.0
345.02383	100.0
346.02655	1.3
355.04590	0.8
369.02625	0.6
385.05350	0.9
393.02158	0.5
411.03293	1.3
447.05103	0.6
617.07190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.3
57.03421	3.4
57.07068	4.8
67.05502	45.0
69.07067	19.1
71.40916	4.5
71.41242	3.8
73.52676	2.8
77.44627	3.0
78.32201	3.2
79.05482	17.6
81.07051	53.4
83.08618	13.2
91.05466	15.8
93.07037	30.8
95.08595	40.5
97.10181	8.1
105.07020	22.6
107.08572	23.5
109.10139	24.1
110.74287	3.3
117.06994	8.3
119.08583	17.7
121.10157	20.5
123.11700	8.3
131.08571	10.3
133.10147	17.2
135.11693	10.0
137.13228	6.3
141.14366	3.2
143.08577	3.2
145.10138	11.0
147.11655	10.9
149.13278	11.7
159.11740	8.8
159.72890	3.3
161.13229	9.9
163.14799	6.1
173.13300	6.0
175.14833	5.5
184.89063	3.0
187.14777	3.2
189.16364	3.5
191.89917	3.2
235.86472	3.0
253.57773	3.0
259.20322	3.5
261.22122	10.8
309.97833	2.8
317.24792	3.8
335.25916	10.6
337.27292	13.2
339.28699	4.2
503.59348	3.5
523.44885	6.9
535.01221	3.5
541.45844	6.0
597.48615	12.4
615.49860	100.0
616.50323	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	615.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.6
57.03426	4.3
57.07059	6.1
62.44505	1.5
62.68805	1.3
65.03916	2.5
67.05145	2.8
67.05497	53.8
69.07059	27.7
71.08625	2.0
73.66541	1.3
75.04429	1.3
79.05482	24.3
81.07049	55.5
83.08607	14.7
85.06519	1.7
85.10157	1.9
89.92272	1.4
91.05479	18.5
93.07033	39.2
93.07597	2.7
95.08595	51.6
97.06523	4.4
97.10149	10.8
99.08097	1.5
105.07027	21.2
107.08578	23.9
109.10146	25.6
111.08077	2.7
111.11752	1.7
117.07029	8.4
119.08574	24.5
121.10128	23.0
123.08046	1.6
123.11694	12.0
129.06958	1.9
131.08531	12.8
133.10112	19.4
135.11679	16.4
137.13239	3.1
143.08522	3.4
145.10074	14.6
147.11696	11.5
149.13205	8.6
155.08607	1.5
157.10124	4.0
159.11671	9.0
161.09680	1.9
161.13266	7.7
163.14819	4.6
171.11693	4.8
173.13225	9.3
175.14798	4.2
177.16299	3.0
179.54576	1.4
185.13272	4.4
187.14827	4.4
190.06683	1.5
199.14790	2.5
201.16327	2.6
215.17981	1.7
219.21100	1.6
241.19658	2.8
243.21005	2.1
259.20648	4.5
261.22089	10.2
329.28342	2.1
333.24310	2.1
335.25803	8.8
337.27295	10.9
339.29050	6.3
523.44696	4.6
531.41223	1.8
541.46686	2.6
597.48767	13.1
612.08661	2.1
615.49762	100.0
616.50256	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	615.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54319	1.6
53.03933	3.5
55.01858	3.8
55.05507	51.4
57.03430	11.7
57.07074	10.7
65.03933	3.7
67.05502	71.9
69.03403	2.6
69.07062	71.7
71.04977	6.9
71.08624	3.8
71.71974	2.3
73.06540	2.4
73.25143	1.9
79.05489	26.7
81.03411	4.0
81.07051	86.4
83.04968	6.7
83.08615	48.1
83.09065	1.3
85.06528	5.6
88.07616	2.1
91.05476	28.6
92.99352	1.6
93.07038	40.5
95.04957	4.6
95.08601	78.8
97.06505	11.4
97.10161	39.2
99.08075	8.0
103.05447	6.8
105.07024	22.1
107.08589	23.9
109.06491	4.2
109.10155	34.4
111.08075	6.9
111.11726	18.0
113.09626	3.0
117.07014	3.6
119.08581	18.7
121.10133	38.7
123.08060	4.3
123.11681	12.7
125.09602	4.2
125.13251	4.5
131.04932	12.8
131.08551	2.4
132.05292	3.3
133.10121	20.0
135.04437	2.0
135.11691	32.7
137.09633	5.2
137.13248	5.5
139.11154	7.5
147.08043	1.7
147.11664	17.7
149.02332	2.3
149.13263	10.6
151.11165	6.2
151.14824	7.7
151.21150	2.0
153.12761	5.8
155.10690	2.5
157.12178	1.9
159.11633	2.0
161.13252	15.6
165.12735	5.6
167.03392	2.7
169.12280	3.5
175.07568	1.8
175.14851	5.8
177.16252	1.6
179.14296	6.2
183.13844	2.0
185.04379	8.5
187.14702	1.8
193.04997	5.2
193.19518	3.8
195.06522	5.1
217.19504	42.8
235.20554	50.3
253.21602	38.4
256.26263	3.0
271.09570	3.9
271.22644	6.0
299.12750	4.9
309.24246	23.7
327.25266	100.0
385.08789	2.0
579.45947	5.1
615.32709	9.7
615.48279	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	614.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.3
54.57025	5.7
55.01852	6.4
55.05523	34.2
57.03416	19.1
57.07061	7.9
67.05502	79.5
69.03433	6.9
69.07042	36.2
70.14612	25.8
78.67174	5.9
79.05479	24.8
81.03415	100.0
81.07044	79.2
83.08613	34.7
89.05997	25.1
91.05466	32.0
93.07033	33.5
95.04960	31.6
95.08595	49.1
97.10136	14.3
105.07014	28.5
107.08578	22.1
109.06464	7.4
109.10139	24.9
119.08528	22.2
121.06512	7.8
121.10109	15.9
129.07004	17.7
129.57137	7.8
131.08531	18.2
133.08609	9.2
133.10112	19.9
135.08026	8.5
135.11722	7.8
142.07773	6.6
147.11656	15.6
151.11082	6.9
157.10110	19.3
165.12843	8.9
193.12213	19.0
267.15839	50.0
283.05737	6.6
337.27371	57.2
415.25082	8.9
529.38916	39.7
547.39935	11.5
609.44757	8.5
614.48816	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	615.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07582	0.6
53.03930	0.7
55.01854	2.5
58.84940	0.6
60.53268	0.6
65.03933	9.8
67.05482	2.7
69.03425	0.6
71.01339	1.1
71.70766	1.3
79.05469	2.1
81.03389	0.9
81.07031	1.4
82.04169	1.8
84.08137	0.6
85.02885	2.4
91.05463	3.1
93.03393	2.3
93.07001	0.9
95.01309	1.1
95.04401	0.7
95.04955	3.3
97.06528	1.1
101.15788	0.6
103.05471	4.8
103.06549	0.7
105.03405	1.0
105.06992	1.9
107.04953	4.1
108.02079	1.3
109.06493	1.5
110.03647	9.7
111.04449	10.4
115.05433	1.4
117.07039	0.9
118.04177	1.1
119.04908	1.6
121.02861	7.3
121.06472	1.4
122.03619	1.0
123.04383	1.7
125.05981	10.9
126.03111	0.8
129.07002	1.1
131.04915	4.9
133.02837	3.6
133.06462	2.3
134.91270	0.6
135.04405	0.9
136.05220	0.9
137.05972	6.6
138.03091	1.4
139.03886	4.4
145.06454	2.2
147.04391	2.9
147.08008	0.8
148.05151	2.8
148.54469	0.7
148.65897	0.6
149.02332	1.9
149.05910	1.3
151.03909	1.9
151.07492	1.9
153.01805	0.7
153.05447	20.0
155.07011	1.4
159.04268	0.8
159.08025	1.5
161.05978	4.0
161.09612	1.4
163.03873	0.8
163.07527	6.0
164.08330	0.6
165.05475	3.1
165.06973	1.7
165.09068	0.9
166.06293	0.7
167.07024	5.5
167.08418	1.3
169.06522	1.3
171.06596	0.8
173.05956	1.6
175.07503	3.0
176.04686	0.6
177.05499	3.6
177.06831	0.8
179.07033	1.5
179.08492	0.9
180.07675	0.8
181.04948	23.4
181.06429	1.6
182.07274	0.7
184.05176	1.3
187.07478	0.7
189.09148	1.9
191.07014	23.5
191.08701	1.5
193.05005	1.7
193.08543	0.8
195.07999	1.9
197.05965	1.6
197.09576	1.2
207.06416	1.4
207.08167	1.4
207.10118	0.8
208.05397	0.7
208.07269	2.2
208.08995	0.9
209.06049	1.4
209.08047	2.7
210.06763	3.0
211.07521	1.8
212.08337	1.2
213.09113	0.9
219.08107	0.8
219.10168	0.9
221.05963	1.3
221.07985	2.4
221.09712	1.9
222.10400	1.1
223.07520	3.9
223.11174	0.9
224.08224	1.3
225.05573	1.3
225.07285	5.3
225.09209	2.4
226.08249	1.1
227.07034	2.9
227.10703	1.4
234.06612	1.4
235.07506	1.7
235.11302	0.9
237.05562	0.8
237.09071	2.9
238.06230	2.0
238.09897	3.5
239.06998	3.8
239.10704	1.5
240.07796	8.3
241.08568	2.6
249.09042	2.0
249.11313	1.2
251.06963	3.2
251.10718	1.1
252.07809	3.2
253.08546	14.6
253.12180	5.9
254.09367	3.2
255.06467	1.7
255.10175	4.2
257.08063	2.7
257.11880	0.7
263.07089	1.2
263.10651	0.9
265.08511	2.5
266.09302	2.9
267.06488	1.9
267.10226	3.2
268.07187	2.2
269.08044	3.2
269.11264	1.0
270.08786	2.8
270.12183	0.9
271.13245	1.3
277.08578	1.4
279.06821	1.0
279.10089	0.9
281.08093	4.9
281.11719	5.6
282.08749	2.6
283.06381	1.3
283.09564	7.2
283.12701	1.1
284.10352	3.4
285.11203	2.8
285.14822	1.6
294.08936	1.4
295.09656	3.6
296.10376	1.8
297.11069	1.2
298.11954	2.2
299.12704	6.9
309.07816	0.8
309.11090	6.2
310.11981	2.6
311.09119	1.1
311.12787	1.0
313.10678	7.5
313.14337	3.2
325.10681	0.9
326.11316	1.1
327.12222	28.9
328.12674	1.8
331.15359	2.1
339.12222	1.6
341.13751	3.6
357.13242	0.7
359.14844	100.0
360.15295	3.5
361.16602	0.9
371.14951	5.7
372.15601	2.2
389.15985	4.1
418.16043	1.1
446.81143	0.7
503.16727	1.5
523.23157	0.9
535.19299	1.3
615.26874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.01864	8.6
55.05509	32.9
57.03432	15.6
57.07073	5.8
58.21909	2.7
64.53562	2.7
65.03940	3.5
67.05500	66.3
67.32078	2.5
69.03423	6.8
69.07061	24.9
70.06580	6.0
70.53241	5.1
70.53591	9.4
71.04987	8.1
71.08617	15.0
79.05489	59.4
81.03410	51.4
81.07050	100.0
83.01318	7.3
83.04970	23.2
83.08617	29.9
83.84213	2.7
85.02900	26.0
85.06538	5.9
91.05473	73.0
93.07034	66.7
95.04955	30.4
95.05464	4.1
95.08607	33.3
97.06544	13.7
97.10154	8.3
99.08098	16.4
103.05474	8.9
105.03402	11.0
105.07014	43.4
107.04965	8.0
107.08579	30.5
109.06513	11.2
109.10170	4.6
111.04398	2.6
111.08086	13.2
113.05975	3.0
115.05464	5.5
117.07019	12.9
119.08569	27.3
121.06531	5.3
121.10139	17.0
122.79330	2.6
123.08085	4.9
123.11674	4.9
125.05996	8.0
127.07532	8.7
129.07022	15.2
130.39468	2.8
131.04872	26.7
131.08580	17.8
132.05258	8.0
132.10185	4.1
133.08595	4.1
133.10123	25.6
135.11731	10.4
137.09662	3.5
141.01797	4.0
142.07674	3.8
143.08609	3.2
145.10135	8.3
147.11684	14.8
149.02357	6.3
149.05962	31.5
149.09656	6.3
149.13266	11.8
151.04050	3.9
151.07542	3.6
151.11182	19.5
153.05400	4.1
155.08537	3.9
157.10091	14.7
159.11708	10.6
161.13257	7.6
163.11191	10.7
165.12749	4.5
169.08588	8.6
173.05965	26.3
174.06291	14.0
175.11168	10.1
176.94098	2.8
177.12665	4.5
179.14246	5.1
185.05962	4.9
193.04997	6.9
193.12236	47.1
193.49487	2.8
195.06502	48.0
195.08165	4.8
195.13788	6.1
196.06863	17.6
211.06036	7.0
211.13293	64.8
213.00613	2.8
213.07578	19.6
214.07936	8.6
219.08032	6.6
227.12756	6.6
228.07291	3.0
259.20566	8.0
267.15750	20.7
269.17407	20.5
277.21692	12.8
285.16956	47.4
297.07782	5.6
297.11108	7.1
298.11713	3.0
299.12753	38.0
300.13104	35.0
300.29007	12.6
315.12280	7.0
316.12604	6.6
341.10117	30.9
351.25241	18.9
361.10797	3.1
387.15829	4.5
388.16312	5.2
417.01166	3.5
445.55112	2.9
461.29089	16.6
479.29990	75.0
561.37695	13.1
614.25293	6.6
614.36707	43.3
615.36383	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	614.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43929	0.3
55.05498	0.5
57.07072	7.6
58.06600	1.7
58.85755	0.4
65.03924	0.9
67.05478	0.4
68.05019	0.4
69.73745	2.4
69.74170	0.7
70.06589	15.1
71.08632	2.4
81.07032	0.4
85.10150	0.4
88.07628	17.7
90.92500	0.3
91.05421	0.3
93.93507	0.3
98.21460	0.4
102.08527	0.7
102.09174	13.9
104.96066	0.3
105.03411	0.7
112.74176	0.4
131.04912	1.3
139.03908	0.6
149.02335	42.3
149.03339	1.5
151.34079	0.4
175.03920	0.9
186.25282	0.4
193.04961	48.5
194.05328	0.5
212.23691	0.7
219.06528	0.6
225.05399	0.8
256.26346	43.3
269.04465	1.8
297.03989	2.2
313.07010	3.1
341.06549	11.4
341.10651	0.6
359.07562	5.2
385.09171	45.1
386.09558	1.4
459.39590	0.4
596.32324	0.7
614.33203	100.0
615.33868	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	613.4818
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.01265	0.8
53.03936	2.7
55.05504	17.0
57.03425	5.4
57.07051	3.3
63.38519	0.8
65.03928	1.8
65.79679	0.8
67.05496	47.2
69.07060	18.4
70.03606	5.1
71.08611	1.4
73.18411	0.9
79.05482	26.5
79.36721	0.9
81.07047	54.7
83.04985	1.9
83.08611	9.7
85.06518	2.3
91.05465	19.8
93.06438	1.6
93.07035	35.5
95.04951	2.3
95.08594	43.9
95.09206	2.1
96.89643	0.9
97.06516	3.2
97.10158	5.3
99.08095	1.6
103.05495	0.9
105.07015	24.6
107.08574	23.3
109.06501	1.3
109.10143	22.3
111.08066	1.9
111.11691	1.8
117.06995	9.1
119.08560	22.8
121.10130	16.9
123.11698	7.5
125.09578	1.6
129.07008	3.8
131.08548	19.1
131.09476	1.6
133.10127	17.9
135.11679	15.5
137.13219	3.2
139.11237	1.1
143.08504	6.4
145.10103	16.4
147.11658	12.8
149.13251	8.4
150.28615	1.0
151.14774	1.1
152.48717	0.8
155.08548	2.1
157.10143	5.3
159.11664	15.7
161.13235	9.9
163.14786	4.1
169.10117	2.7
171.11662	5.3
173.13245	12.5
175.14796	6.2
177.16368	2.3
179.14401	2.2
183.11646	2.8
185.13281	3.7
187.14801	6.0
189.16385	2.6
191.17871	1.0
195.11740	1.2
197.13327	1.5
199.14853	3.6
201.16385	3.2
203.17978	2.1
213.16411	1.5
215.18062	2.0
217.19478	1.8
219.17435	0.9
225.16487	1.9
227.18143	2.1
229.19489	1.0
231.21024	2.1
241.19580	3.5
243.21086	2.4
246.30795	1.1
259.20581	7.1
261.22104	10.9
263.23587	1.0
273.22159	1.1
276.53601	0.8
277.21585	1.3
279.23477	1.1
281.20850	1.2
285.22116	1.2
287.23767	1.1
299.23709	1.6
308.39502	1.0
315.26785	2.1
317.24847	1.9
321.24094	1.4
323.25662	1.0
327.26697	0.9
333.24283	4.4
335.25797	16.6
337.27438	6.5
341.28650	1.2
355.29980	1.0
369.31873	1.3
383.33423	1.0
475.34091	1.3
489.35684	2.4
491.37842	1.3
503.37100	2.4
517.39160	1.7
521.43506	5.5
529.38580	1.5
531.41223	1.0
539.44702	4.1
543.40802	2.2
562.03809	1.0
595.47229	11.7
613.48193	100.0
614.48132	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	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03934	5.5
55.05283	2.4
55.05509	32.2
57.03424	7.7
57.07064	5.8
60.40121	2.1
65.03925	4.5
67.05500	85.6
68.55897	2.3
69.07064	28.4
69.75458	2.4
71.04988	2.9
79.05482	48.0
81.07052	87.0
83.08609	14.0
83.09020	2.4
85.06516	3.0
91.05476	36.2
93.07037	56.2
95.04970	4.4
95.08009	4.3
95.08597	62.7
97.06539	4.4
97.10162	6.6
98.20732	5.4
99.89375	2.2
105.07017	38.3
107.08584	34.9
109.10136	33.5
111.11716	2.8
117.07024	18.8
119.08570	40.2
121.10145	23.8
121.23962	2.3
123.11698	9.8
129.07001	8.5
131.08563	29.3
133.10115	28.0
135.11702	19.2
137.09627	2.2
137.13240	3.9
143.08588	8.9
145.10100	23.3
147.11699	20.8
149.13245	10.5
157.10124	9.6
159.11673	23.8
161.13272	10.8
163.14877	4.7
169.10175	3.6
171.11671	8.4
173.13269	14.4
175.14818	7.6
177.16452	3.5
179.43463	2.5
183.11598	4.6
185.13216	7.4
187.14838	7.9
189.16365	4.2
197.13261	5.2
199.14900	4.8
201.16417	4.2
203.18091	2.4
215.17885	2.6
229.90004	2.7
241.19518	2.8
259.20688	6.8
261.22116	12.6
267.16458	2.3
281.21234	3.9
333.24118	5.1
335.25931	15.5
337.27322	12.3
512.61127	3.0
521.43427	6.5
595.47168	8.1
613.48212	100.0
614.49554	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	613.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66518	2.4
53.03936	3.0
55.01871	3.3
55.05503	6.0
57.03411	3.2
65.03926	2.6
65.12855	2.6
67.05482	11.9
68.51531	2.7
68.99798	2.9
69.03423	2.6
69.07036	4.6
71.04978	4.1
71.72878	4.2
79.05484	9.0
81.07043	25.3
83.01334	15.6
83.04971	4.3
91.05475	23.5
93.07039	10.5
95.04967	7.5
95.08596	9.4
103.05454	10.5
105.03389	15.7
105.06999	13.5
107.04954	3.2
107.08598	3.9
109.06497	9.5
109.10116	4.0
111.04452	4.3
115.05454	5.0
117.07014	3.2
121.02843	3.2
121.06477	6.9
121.10088	3.4
123.08066	10.0
125.05976	8.6
127.07542	12.0
129.07010	5.0
131.04910	19.4
139.07507	6.9
147.04393	7.1
147.08047	3.5
149.05989	12.6
151.03920	3.0
151.07535	50.9
152.04640	4.4
152.06221	4.9
153.01750	3.6
153.05457	3.5
161.05872	3.2
165.05583	4.3
165.07010	12.2
166.07632	5.1
167.07027	18.4
167.08549	41.7
169.08597	100.0
173.06033	13.6
177.05446	9.3
178.07718	3.4
179.07043	3.7
179.08504	5.9
180.09286	5.8
181.10136	9.7
183.06474	3.9
185.04430	20.4
191.06952	5.0
191.08545	10.2
193.10136	5.1
195.06523	75.7
197.13210	2.9
199.03809	3.5
202.07866	2.8
203.08559	4.3
205.10104	3.8
207.06487	16.8
211.06020	5.3
213.05638	4.1
213.07561	38.2
215.08574	10.3
217.10237	3.4
219.08035	4.4
221.08044	10.0
223.06064	4.5
227.07068	3.5
231.08047	5.0
233.09647	5.1
241.09984	3.0
249.07440	4.5
259.13239	3.9
260.13513	3.0
271.09650	10.5
294.95358	2.7
299.12766	22.8
315.12201	3.2
325.12167	3.1
341.15051	3.0
345.09970	3.5
348.11337	2.8
363.13776	4.5
365.15302	6.4
367.13104	5.8
369.14304	3.7
373.12936	4.9
381.14606	5.3
383.12036	3.7
383.16394	10.4
385.14511	4.7
387.16055	3.7
395.11475	6.0
399.15552	5.5
409.14468	5.8
415.13843	31.5
427.15402	5.7
433.14545	5.3
471.00305	2.7
471.14319	9.8
486.16534	5.6
559.21191	4.1
577.13281	5.4
577.22156	90.9
591.26678	2.7
595.23175	21.6
613.24475	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	613.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39788	1.0
55.01869	1.1
55.05503	1.9
65.03937	1.4
66.67687	1.1
67.05484	4.9
68.99780	5.0
69.03411	3.7
70.75229	2.5
70.75594	1.8
77.39312	0.9
79.05479	5.3
81.03370	1.9
81.07046	19.9
83.01330	13.0
83.04966	7.8
84.65337	0.9
85.40416	0.9
91.04934	2.1
91.05467	24.7
93.07040	4.1
95.04951	2.9
95.08601	1.7
96.69595	1.0
97.06522	3.1
98.20763	1.1
103.05451	17.7
105.03352	5.8
105.07038	6.1
107.08590	1.3
109.06511	6.5
111.04378	1.2
115.05466	8.3
117.07030	3.2
119.04932	1.4
119.08568	1.3
121.06502	1.7
123.04447	2.6
123.08054	2.5
125.05971	15.0
127.07533	13.7
128.06149	1.6
129.07005	2.1
131.04912	60.9
137.06023	1.3
139.07504	2.0
141.05467	1.6
143.07022	2.2
145.06451	2.9
147.04413	2.9
149.02347	4.9
149.05930	5.9
151.03923	3.8
151.07510	10.3
152.04649	3.7
153.05469	3.6
153.06935	1.3
155.04907	3.2
155.08539	2.0
157.06412	1.2
165.05492	2.9
167.03334	1.6
167.07034	11.5
169.04944	1.5
169.08585	30.6
169.10027	2.0
173.05969	52.2
175.03995	1.7
177.05522	5.1
178.07802	1.4
181.06438	2.2
185.05989	3.0
191.08521	7.8
193.04955	4.0
193.10109	9.6
194.05241	1.8
195.06508	82.2
199.07513	3.8
205.10074	1.6
209.05977	1.4
211.05991	10.6
213.07544	32.3
214.09912	1.8
215.10544	2.3
219.08047	24.6
227.06992	8.3
233.09491	2.3
237.07550	4.4
239.10612	1.4
245.08099	5.7
257.11728	8.8
261.09131	1.8
271.13281	13.4
279.10147	1.9
281.08203	1.4
281.11655	1.4
297.11240	8.2
299.12735	100.0
315.12247	14.6
325.10721	10.0
339.12155	1.8
357.13351	5.0
385.14182	1.2
387.15909	17.8
409.14197	1.4
427.15274	3.4
445.16211	3.3
558.55115	1.4
577.21936	3.9
578.13550	2.1
595.22754	6.1
613.24249	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	613.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23532	1.4
53.03926	2.1
55.01875	1.4
55.05494	3.1
57.23547	1.2
59.78015	1.1
63.02352	1.2
67.05497	6.8
68.99773	1.3
69.03407	3.9
69.07072	2.6
71.04990	3.9
79.05485	4.5
81.03411	3.8
81.06654	1.6
81.07060	12.2
83.01333	5.9
83.04963	3.2
85.02869	1.5
85.06522	1.5
87.09130	1.3
91.05471	17.4
93.07007	3.8
95.04979	6.4
95.08578	3.8
97.06500	2.5
101.33483	1.4
103.05461	27.5
105.03386	13.3
105.07025	4.9
107.04929	2.2
109.02857	2.3
109.06496	4.4
109.10121	2.3
111.04390	2.2
115.05426	4.4
117.06969	2.4
119.09399	1.4
121.06522	3.1
121.10096	2.0
123.04389	2.2
123.08055	4.0
125.05968	2.9
127.07542	3.7
129.06970	3.5
131.04922	100.0
132.05255	1.5
135.11682	1.6
137.06000	2.7
139.07538	3.4
141.05476	1.6
141.06958	2.6
143.08510	1.8
147.04411	1.9
149.05948	2.1
149.09573	1.5
151.03896	4.4
151.07523	16.4
153.06989	2.4
155.08540	2.0
165.05489	1.3
167.07053	16.0
167.08426	2.3
168.09305	1.6
169.08591	50.8
169.10022	3.1
173.05991	12.8
173.09442	1.3
175.03886	2.1
178.07655	1.9
179.08569	2.2
183.11667	2.9
185.06018	1.3
191.08553	1.5
193.10121	4.7
195.06503	18.3
195.08026	0.7
195.11615	1.3
197.09595	3.5
202.07767	1.9
209.05971	1.7
211.05991	4.7
211.11221	3.0
211.13202	2.0
213.07571	5.9
214.09796	9.2
215.08635	2.6
215.10585	11.5
217.10045	1.2
218.57225	1.3
227.07042	4.0
231.08138	1.8
233.09650	2.4
233.80771	1.3
237.07588	9.8
238.10039	2.0
239.10609	8.6
257.09109	2.1
257.11713	36.1
257.14401	2.1
261.08972	1.7
269.11911	1.8
271.13278	26.7
279.10141	3.9
281.08188	6.6
297.11240	9.4
299.09497	2.7
299.12735	21.1
311.14566	1.9
315.12207	4.2
325.10663	25.7
339.12277	17.0
341.13803	10.5
357.13541	9.8
358.07257	1.5
367.12961	2.7
368.92429	1.6
385.14182	7.7
385.18591	2.8
409.14243	1.6
427.15366	30.9
437.39044	1.5
445.16656	2.7
532.19427	1.5
553.21527	1.8
564.05109	1.5
577.22046	13.1
595.23267	36.5
613.23218	5.3
613.33282	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	613.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92635	0.5
53.03936	0.6
55.05489	1.4
62.64138	0.5
65.03933	0.5
67.05489	1.0
68.99789	3.4
69.03417	2.6
70.66859	0.9
70.67207	1.2
71.04980	0.8
77.72697	0.5
79.05481	2.5
81.07047	14.5
83.01333	10.4
83.04969	3.5
91.04955	0.8
91.05476	12.3
93.07008	1.7
95.04932	1.4
95.55585	0.5
97.06497	1.3
99.08046	0.7
103.04842	0.9
103.05459	9.1
105.03377	1.2
105.07012	5.1
107.04919	0.5
108.30523	0.5
109.06512	6.1
111.04406	1.2
115.05424	3.9
116.97266	0.5
117.06979	2.0
121.06475	1.3
123.04382	1.7
123.08012	0.7
125.05978	10.0
127.07542	12.1
127.64856	0.4
128.06163	0.7
129.07024	0.7
131.04909	28.8
137.05934	1.8
139.07571	0.7
141.01797	1.8
141.05394	1.7
143.06973	1.2
145.06447	2.2
149.05991	4.3
151.03894	2.9
151.07497	2.6
152.04634	3.1
153.05449	2.7
153.06969	1.4
155.04883	2.5
155.05960	0.6
157.06441	1.1
165.05501	3.2
167.07042	5.7
167.08389	0.7
169.04913	0.7
169.08591	9.0
170.08824	0.5
171.08017	0.5
173.05966	45.0
177.05475	3.6
178.07755	0.6
181.06467	1.0
183.06497	1.6
185.04419	8.2
185.05974	3.2
190.07774	0.6
191.08493	2.9
193.04913	1.0
193.10114	4.6
195.06511	73.0
196.06891	0.9
197.81091	0.5
199.07512	2.3
205.10124	0.7
209.05911	1.4
209.09706	0.6
211.06007	10.1
213.07545	20.9
219.08069	7.2
227.07031	7.3
227.10573	0.7
229.07068	0.9
233.09685	0.6
245.08055	5.8
257.11758	1.5
269.11963	0.7
271.09631	6.0
279.10214	0.8
281.11734	0.7
297.11224	8.3
299.12750	100.0
300.13055	1.6
303.10303	0.6
315.12207	13.6
387.15854	11.3
397.02185	0.6
399.05164	0.5
409.14502	0.6
445.16354	0.9
577.21954	0.9
595.23077	1.8
613.24170	7.6
637.14331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
54.55907	0.3
55.01846	0.4
55.05487	1.4
65.03926	0.6
67.05479	1.2
68.99782	3.9
69.03413	3.1
69.07045	0.7
69.99991	1.4
71.04961	1.1
79.05480	2.6
81.07048	15.5
83.01333	13.9
83.04591	0.3
83.04975	3.7
85.02904	0.3
91.05472	17.9
91.11124	0.3
93.07016	1.7
95.04960	1.7
95.08589	0.7
97.06522	1.9
98.20698	0.5
99.08064	1.1
101.05966	0.7
103.05457	11.6
105.03351	1.4
105.07021	5.2
105.77235	0.3
107.04948	0.8
109.06505	8.3
111.04422	1.4
111.08080	0.5
115.05437	5.7
117.06987	2.5
119.04918	0.4
121.06519	1.8
123.04404	2.5
123.08029	1.0
125.05121	0.6
125.05980	10.9
127.07538	14.5
128.06201	1.1
129.06972	1.1
131.04912	35.0
133.06479	0.5
135.04439	0.4
137.05959	2.1
139.03943	0.4
139.07547	0.8
141.01804	1.8
141.05460	2.3
143.07021	2.4
145.06483	2.1
149.05963	5.3
151.03893	3.1
151.07526	3.7
152.04671	4.2
153.05450	3.9
153.06943	1.5
155.04933	2.9
155.05998	0.6
157.05037	0.4
157.06459	1.3
165.05467	3.7
165.06870	0.7
167.07039	7.8
167.08482	0.4
169.04932	1.4
169.08586	13.9
171.08075	0.7
173.05968	48.1
177.05478	4.4
178.07765	1.5
181.06493	1.6
181.10132	0.7
183.06548	1.0
185.05936	4.4
186.06390	0.3
190.07758	0.6
191.08540	5.5
192.09283	0.4
193.05048	0.9
193.10114	6.6
195.06512	84.1
197.09639	0.4
197.35953	0.3
199.07535	2.6
203.08571	0.5
205.10071	0.9
209.06007	2.1
209.09575	0.8
211.05991	12.9
211.07901	0.7
213.07561	25.5
215.08487	0.7
215.10555	0.8
218.07330	0.6
219.08031	14.3
223.11130	0.4
227.07014	7.7
227.10506	0.5
229.07014	1.2
231.08150	0.4
233.09676	0.8
237.09012	0.5
239.10558	0.6
245.08047	6.5
251.10786	0.8
255.10124	0.7
257.11740	1.0
261.09140	0.7
269.11868	0.7
279.06537	0.5
279.10089	0.9
281.11755	1.0
284.10544	0.8
297.11197	9.5
299.12750	100.0
300.13025	0.5
311.10614	0.5
315.12256	15.1
327.86096	0.4
357.11108	0.8
363.14035	0.6
383.16547	0.4
385.14313	0.5
387.15887	12.7
390.72913	0.3
409.14462	0.6
427.15390	0.7
445.16559	0.9
453.17068	0.5
577.22198	2.2
595.23181	4.4
613.24249	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	613.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26853	0.4
53.03925	0.4
55.05489	0.4
62.57258	0.4
63.61205	0.4
67.05483	0.4
68.99783	0.8
69.03425	0.7
69.07019	0.4
69.48321	2.8
69.48753	1.5
79.05468	1.5
81.07048	16.9
83.01334	14.1
83.04979	2.7
91.05464	1.7
93.07020	1.9
95.04987	0.5
95.08581	0.6
97.06521	2.0
97.15982	0.5
99.08080	1.1
103.05446	1.9
105.07011	0.6
105.15437	0.4
107.04927	1.9
109.06516	6.3
111.04444	2.0
115.05355	0.6
121.02840	1.2
121.06562	1.0
123.08037	0.8
125.02359	0.8
125.05984	6.2
127.07545	16.6
129.06989	0.7
131.04926	4.7
131.08456	0.5
135.04398	0.8
139.03929	0.6
139.07533	0.5
147.04390	0.7
149.05977	5.2
151.07564	2.5
152.04651	4.3
153.05438	5.8
157.04941	0.8
167.07050	3.7
167.08272	0.6
169.08606	7.5
177.05438	6.3
179.08467	0.6
181.06456	0.6
195.06512	100.0
196.06932	0.8
207.06424	0.5
207.08081	2.5
209.09605	1.3
213.07556	35.4
221.08095	0.9
225.05356	0.5
228.34464	0.4
235.07474	4.1
257.11679	1.5
269.08191	0.7
277.08514	1.4
283.09512	0.6
295.09555	0.8
297.11279	1.0
299.12753	77.2
300.13080	1.2
315.12244	23.8
325.14490	0.6
339.12195	0.5
351.12115	0.7
358.37582	0.4
401.70514	0.5
402.60785	0.5
403.15335	1.3
427.15344	0.5
445.16595	2.4
489.19177	1.4
507.20047	1.0
577.21765	0.9
595.23376	1.3
613.23987	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.5
55.01855	0.8
55.05497	0.8
65.03912	0.6
65.98874	0.4
69.03422	16.9
69.03796	1.1
70.92043	0.6
70.92381	0.9
71.01322	1.2
71.04980	1.3
71.49967	0.4
78.04703	0.7
79.05499	0.9
81.03416	0.5
83.04970	5.2
85.02895	2.4
87.04466	0.6
91.05480	2.1
95.04977	1.1
98.21397	0.6
99.66890	0.5
99.74055	0.5
103.05451	0.7
107.04945	100.0
108.05271	0.8
109.02832	0.7
111.00838	0.9
111.04422	5.6
115.05424	1.3
117.07021	2.2
119.04938	2.1
121.06516	4.0
123.04427	2.0
124.05178	0.7
129.05463	10.2
129.06950	0.6
137.02287	1.0
137.05968	1.8
145.06485	4.9
147.04375	2.8
148.04720	1.1
149.04895	0.7
149.05980	8.3
151.03874	0.7
152.04672	0.6
153.01846	3.5
153.05415	0.9
155.06004	0.8
157.06462	1.7
161.05968	0.8
165.01776	1.0
167.07031	25.8
171.08006	0.6
173.05963	6.4
175.07556	1.4
179.07193	0.4
181.04947	7.6
183.02834	0.7
191.07039	1.1
193.04927	0.8
199.07603	1.2
201.05537	0.8
205.08708	1.0
212.90721	0.5
217.04953	0.6
217.08577	1.0
219.06366	0.5
233.08125	1.2
235.09668	1.8
245.04453	1.7
259.09683	0.8
273.03906	1.1
295.11798	6.2
303.04950	1.9
304.05267	1.3
305.05508	1.7
319.04468	21.9
320.04605	0.6
329.02875	2.1
331.04492	1.8
343.04544	0.6
357.13586	0.8
361.05557	1.8
385.12857	4.4
387.14255	1.5
411.07050	1.5
417.15723	2.4
429.08032	1.7
583.21753	1.3
613.22876	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	613.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
55.05510	6.6
57.06877	1.3
61.02924	2.8
65.03911	1.2
67.05494	2.0
69.03424	88.0
70.90604	3.2
70.90967	2.4
71.01336	4.3
71.04986	8.2
72.92874	1.2
78.04702	1.5
83.04971	40.9
85.02902	9.5
91.05471	7.4
95.04972	8.0
99.04443	8.0
101.54329	1.2
107.04933	9.2
111.04441	24.2
115.05408	3.4
117.06981	3.8
119.04927	15.9
121.02818	1.5
121.06462	1.9
123.04419	20.8
129.05470	45.5
137.02298	3.6
137.05962	8.0
139.03850	2.1
140.81143	1.2
145.06497	8.9
147.04395	100.0
151.03897	2.3
153.01840	3.0
153.05421	2.3
155.06020	2.8
155.18481	1.2
161.05882	1.2
165.01765	1.8
165.05515	6.3
167.07033	48.5
169.04956	1.8
171.06503	1.2
173.05972	11.1
181.04944	14.0
189.07579	24.0
201.05479	1.6
205.08627	1.6
213.08987	1.7
229.04994	2.7
233.08144	2.1
235.09680	1.4
239.61140	1.3
251.09178	2.2
257.04364	2.3
277.37213	1.7
293.10220	7.4
303.04984	90.0
315.04996	2.9
327.04861	1.9
345.05963	3.4
357.13574	1.9
385.12619	9.8
387.14456	5.1
395.07559	2.0
413.08685	2.9
417.15152	4.2
613.22760	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
57.03415	3.8
61.02918	1.3
65.03912	1.7
67.67797	1.3
69.03410	1.6
70.06566	1.4
71.04985	29.5
71.70560	2.1
76.61795	1.1
78.47332	1.3
81.03368	1.9
85.02406	1.7
85.02895	28.6
91.05422	5.8
95.04953	5.4
97.02834	1.4
103.05441	3.0
103.32412	1.4
107.04926	3.0
108.19833	1.1
111.04398	1.9
115.05390	1.6
117.06979	2.9
119.04910	10.2
121.02883	2.4
123.04418	16.9
129.05453	5.1
133.06403	1.4
137.02261	1.7
137.05960	5.5
139.03854	3.4
145.02895	1.5
145.06442	4.1
146.03467	1.4
147.04411	6.9
147.06395	1.8
147.09903	1.2
151.03886	2.5
153.01797	10.4
163.03918	1.5
165.05463	3.0
167.07018	36.8
167.33296	1.3
173.05965	8.0
181.04904	13.4
191.06992	4.3
201.05344	1.6
205.08575	2.5
210.62733	1.1
217.04865	1.7
228.04207	1.9
229.04938	4.0
235.09581	1.7
245.04605	2.7
246.05243	2.0
257.04453	1.5
273.03894	3.5
274.04633	4.9
299.09088	1.6
301.03479	2.2
302.04199	21.9
303.04962	61.8
315.04950	1.7
345.06073	1.2
357.13199	1.5
385.12668	5.5
417.15427	4.0
467.09702	100.0
468.10373	1.5
613.22998	12.9
619.81189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48295	0.6
53.03934	1.8
55.01862	2.5
55.05505	8.0
57.03439	4.2
57.07045	0.9
61.91685	0.6
63.93922	0.6
65.03931	1.2
67.05502	16.2
69.03416	2.5
69.07068	5.6
71.04973	1.8
71.71432	0.8
79.05490	17.9
81.03412	13.4
81.07051	21.5
83.01337	1.2
83.04973	8.5
83.08615	6.6
85.02893	5.2
88.07631	1.0
91.04941	1.2
91.05467	17.7
92.05807	1.1
93.07040	15.2
93.66738	0.6
95.04959	9.1
95.08596	8.0
97.02892	1.0
97.06527	4.3
97.10157	2.3
99.08081	0.7
100.45699	0.7
102.09137	0.9
103.05459	29.5
105.03407	4.3
105.07026	13.4
107.04939	2.7
107.08582	6.6
109.06516	2.6
109.10159	1.8
111.08083	4.3
113.05981	1.4
115.05436	2.5
115.07606	0.8
117.07031	4.1
119.08561	7.4
121.06514	2.6
121.10120	4.8
123.08040	1.1
123.11721	0.9
125.05952	2.8
127.07587	1.6
129.06985	4.5
131.04918	100.0
131.08562	7.0
132.05252	0.8
133.10127	6.4
135.08009	0.9
135.11670	4.0
137.09648	1.4
142.07793	1.2
143.08592	1.4
145.10127	3.3
147.04395	2.2
147.08047	1.3
147.11678	5.8
149.02289	0.8
149.09636	4.3
149.13246	1.9
151.07597	1.2
151.11227	1.2
157.10110	4.9
159.11702	3.7
161.13269	1.2
163.11174	2.6
165.12703	1.5
167.07072	1.7
167.08557	2.5
168.08841	1.3
169.08601	1.9
169.10054	0.8
173.05884	0.7
173.13284	1.1
173.19638	0.7
175.11205	3.9
185.04462	1.7
185.08086	0.8
191.06981	2.4
191.08479	0.8
193.10362	1.6
193.12213	13.5
195.06558	6.1
195.13791	1.3
197.13142	0.8
211.13272	13.5
213.07620	2.1
215.06871	1.1
215.10492	1.0
216.09065	1.0
219.08162	0.9
228.22997	1.0
239.10674	1.2
253.09694	0.7
253.18361	0.7
255.15915	2.1
256.26379	1.4
257.11646	3.5
257.19034	2.0
258.12064	3.7
259.13394	0.8
262.09140	0.6
267.15948	4.4
269.17462	4.1
275.20020	6.2
285.16977	9.6
295.98853	0.8
299.12854	3.6
325.11072	1.0
349.23621	4.0
355.11801	1.4
356.12079	1.8
364.14035	0.8
366.15524	0.7
368.13705	1.0
383.11267	1.6
429.17078	1.3
443.44568	0.7
447.27228	1.7
450.29053	1.2
452.15677	2.0
461.28949	2.5
465.28281	2.3
465.46707	0.7
479.29990	10.8
506.16187	0.8
519.32831	0.9
559.36334	2.1
576.20782	2.2
612.23041	1.1
612.35052	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01854	2.4
55.05510	7.2
57.03430	5.9
65.03935	1.3
67.05496	21.5
67.05851	1.4
69.03411	1.9
69.07060	9.0
69.95474	5.5
70.06599	0.9
71.04977	3.0
74.96307	1.0
77.03972	0.9
78.44787	0.8
79.05486	14.7
81.03413	15.7
81.07047	23.5
83.01332	1.4
83.04968	9.0
83.08619	7.3
85.02891	5.7
85.06535	0.9
88.07623	1.5
91.05464	21.5
92.78950	1.0
93.07034	14.4
95.04955	12.1
95.08590	9.5
97.02877	1.4
97.06525	3.2
97.10168	2.1
98.20803	1.9
103.05455	34.6
105.03372	2.9
105.07027	12.6
107.04955	3.2
107.08591	8.5
109.06510	4.1
109.10136	2.8
111.08070	3.3
113.05951	1.1
115.05448	1.8
117.07001	3.3
119.08557	9.8
121.06490	1.2
121.10162	6.3
123.08077	2.4
123.11681	1.0
125.05988	2.0
125.09692	1.0
127.07564	1.5
129.06992	6.0
131.04915	100.0
131.08598	5.8
132.05269	1.0
133.06433	1.0
133.10110	6.6
135.04376	0.9
135.08055	1.2
135.11687	4.6
137.09561	1.1
143.08525	1.3
145.10091	3.6
147.04376	0.9
147.08098	1.1
147.11671	4.3
149.09593	4.3
149.13263	2.9
157.10100	4.3
159.11699	3.7
161.13243	1.5
163.11131	1.4
165.07069	1.0
165.12704	1.4
167.07086	1.2
169.08604	2.6
170.08900	1.1
175.11165	3.4
183.11765	1.1
191.06992	2.1
193.10367	1.7
193.12219	13.6
195.06529	6.8
195.13867	1.2
211.13289	15.2
213.07672	2.6
215.10545	1.4
219.08148	1.6
239.10641	1.1
243.34431	0.9
255.15939	2.1
256.26508	1.6
257.11673	3.0
257.18915	2.1
258.12109	2.9
267.15887	5.5
269.17532	3.4
275.20099	6.8
285.16913	11.2
299.12878	4.9
349.23849	4.8
356.12222	1.6
368.13110	1.1
383.11148	1.4
429.16541	1.2
447.27475	2.0
461.28751	3.0
465.28497	2.2
479.30002	13.5
529.52661	1.1
541.34479	1.3
559.35901	1.3
612.34650	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	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
52.01180	0.9
53.03949	1.4
55.01877	1.9
55.05507	15.9
55.50694	1.1
57.03426	6.2
57.07063	3.2
58.48475	1.1
59.05667	0.9
61.59247	0.9
63.70035	0.9
65.03936	2.0
66.55529	1.0
67.05147	2.1
67.05505	39.3
69.07066	16.1
70.37919	4.7
71.04987	1.7
79.05487	31.2
81.03403	1.3
81.07051	42.8
83.04990	1.9
83.08622	9.4
85.06509	2.1
89.06010	1.2
91.05473	26.9
93.07042	33.4
95.04964	4.8
95.08602	32.5
95.09216	1.6
97.06541	3.8
97.10178	4.0
99.08112	1.2
105.07024	27.9
107.08591	18.4
109.06549	2.2
109.10152	15.4
111.08109	1.2
117.06998	11.0
119.08581	23.1
121.10130	16.8
123.11726	5.6
125.09637	2.0
128.06216	2.0
129.06984	9.4
130.07741	1.3
131.08565	19.8
133.10120	20.8
135.11693	12.6
137.13251	2.5
141.07031	2.3
142.07774	1.8
143.08559	8.7
145.10117	18.9
147.11684	16.1
147.12743	1.5
149.09645	1.8
149.13235	6.3
155.08586	3.3
156.09393	1.4
157.10114	10.3
159.11674	17.1
161.13246	11.8
163.14854	3.5
167.08554	1.4
169.10114	5.6
171.11644	11.4
173.13234	13.3
175.14838	4.9
181.10144	2.3
183.11671	4.4
185.13268	8.1
187.14816	6.3
189.16458	2.9
195.11674	1.9
197.13208	5.5
199.14832	6.0
201.16420	3.4
203.17989	1.8
209.13318	2.0
211.14914	3.5
213.16388	3.8
215.17926	1.5
225.16435	3.5
227.18103	2.7
229.19470	1.6
231.21049	1.9
239.17955	2.1
241.19604	8.0
243.21091	1.8
253.19672	1.8
255.21219	1.3
257.19067	4.0
259.20538	12.8
261.22159	5.0
273.22031	1.3
297.22101	1.1
299.23654	1.6
303.22934	1.3
315.23236	2.1
325.25485	2.2
333.24155	10.8
335.25806	19.6
339.26981	1.5
423.32733	1.8
427.32040	1.9
431.33017	1.1
519.41949	6.4
527.37488	1.5
537.42999	3.3
541.39111	1.6
593.45569	8.5
611.46674	100.0
612.46869	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09454	1.3
55.05286	1.4
55.05513	21.5
56.65202	1.2
57.03426	4.7
57.07060	5.4
65.03951	2.2
67.05151	2.6
67.05500	46.1
69.03439	1.3
69.07063	15.9
70.06135	2.2
70.06547	4.5
71.04980	2.5
71.08617	1.9
79.05487	31.3
81.03452	1.5
81.07050	45.4
83.04982	2.6
83.08621	8.2
85.06541	2.1
88.90966	1.3
89.06030	2.3
91.04932	2.5
91.05469	30.2
92.03933	1.1
93.07042	38.4
95.04976	3.2
95.08602	42.8
97.06510	2.5
97.10168	3.2
105.04483	1.7
105.07024	30.6
107.08588	23.6
109.06509	2.1
109.10150	18.8
111.08105	2.6
117.07011	16.3
118.46833	1.1
119.08566	27.5
121.10134	18.4
123.11720	5.0
128.06223	2.8
129.06944	7.1
130.07782	2.2
131.07652	2.5
131.08563	24.4
133.10124	22.0
135.08043	1.6
135.11679	14.3
135.12576	1.9
137.09721	1.5
137.13213	1.6
141.07018	4.3
142.07773	2.1
143.08545	13.4
145.10115	23.8
147.11682	20.6
149.13293	7.4
151.11172	1.8
155.08585	7.0
156.09306	1.5
157.10117	15.6
159.11682	17.9
161.13248	11.7
163.14882	2.4
167.08588	2.8
169.10175	7.1
171.11674	14.0
173.13243	14.4
175.14825	6.8
181.10089	2.6
183.11708	8.0
185.13249	9.6
187.14807	8.0
189.16435	2.1
195.11699	3.3
197.13225	6.6
199.14772	9.1
201.16342	3.5
209.13235	1.8
211.14909	4.0
213.16281	6.4
215.17949	1.7
223.14810	2.5
225.16464	2.7
227.17987	3.4
229.19548	2.8
231.21133	2.3
239.17996	2.8
241.19696	7.3
243.21111	1.9
255.21062	2.0
257.19067	3.5
259.20477	13.6
261.22055	3.3
273.21942	1.5
277.21783	1.4
285.22418	2.0
297.18735	1.2
297.22192	2.1
325.25156	1.7
333.24301	9.8
335.25735	13.4
339.26813	2.1
353.28415	2.2
501.34729	1.5
515.37274	1.6
519.42059	8.7
537.43036	3.4
541.39026	2.0
575.43994	1.5
593.45557	10.2
611.46686	100.0
612.47125	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86297	1.0
53.03940	4.2
54.75873	1.0
55.01863	3.5
55.05507	24.9
57.03430	8.2
57.07064	3.8
65.03928	3.8
67.05496	63.3
69.07065	20.1
69.97659	5.0
71.04977	2.9
79.05483	47.8
79.13817	1.3
81.07048	61.4
83.04969	2.6
83.08608	12.4
85.06523	3.0
91.05471	47.0
93.07034	53.9
95.04956	4.5
95.08598	49.7
97.06528	4.7
97.10162	4.5
98.21410	1.6
99.08080	2.1
103.28586	1.3
105.04484	1.1
105.07021	42.6
107.08587	26.9
109.06490	1.8
109.10137	17.7
110.41758	1.1
111.08083	2.0
115.05488	3.0
117.07003	17.5
119.08569	39.0
121.10126	21.2
123.08059	2.7
123.11697	5.4
125.09655	2.2
128.06223	3.2
129.05513	1.5
129.06989	13.3
130.07741	1.8
131.08551	32.4
133.10117	29.1
135.11685	12.6
137.09569	1.6
137.13274	2.3
141.06976	4.8
142.07777	3.9
143.08536	16.5
144.09373	2.0
145.10101	30.4
147.11671	21.5
149.09602	1.8
149.13234	9.3
154.07814	1.7
155.08521	7.4
156.09314	1.8
157.10114	18.6
159.11687	20.0
161.09592	1.3
161.13240	13.6
163.11140	1.3
163.14836	3.1
167.08611	1.4
169.10129	10.8
170.10831	1.2
171.11682	18.3
173.13231	16.0
175.14806	7.4
177.12819	1.7
177.16428	1.8
181.10147	4.4
183.11690	8.1
185.13225	11.9
187.14789	8.0
189.16359	2.8
195.11685	3.0
197.13226	7.9
199.14818	8.5
201.16356	5.2
209.13214	2.2
211.14813	3.3
213.16341	6.4
215.17957	2.6
219.17499	3.1
225.16400	2.5
227.18123	2.5
229.19604	1.9
229.55072	1.2
231.21190	2.8
237.16534	1.6
239.18025	2.7
241.19601	8.3
243.21107	1.4
257.19003	4.2
259.20538	18.1
261.22128	5.5
269.18869	1.1
271.20609	1.7
275.20190	2.7
285.22174	1.3
311.23581	1.5
313.25375	1.1
315.23291	1.8
318.28326	1.1
325.25366	1.4
331.22928	1.5
333.24219	10.5
335.25790	17.5
339.26938	2.2
353.24716	1.7
353.28601	1.8
367.30127	1.7
370.42041	1.3
379.30157	1.1
381.31866	1.8
472.04565	1.4
501.41318	1.7
519.42053	6.7
529.39581	1.3
537.42963	4.4
541.39233	1.9
593.45557	7.6
611.46637	100.0
612.46912	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03936	0.7
55.05510	0.6
56.84006	0.4
57.07057	1.0
63.06247	0.4
67.05502	3.6
68.99766	0.9
69.03411	0.7
70.28739	2.3
71.04982	0.7
72.68025	0.4
77.03944	0.6
78.04755	0.5
79.05475	1.5
81.03410	0.8
81.07050	4.2
81.85165	0.5
83.01344	5.4
83.04953	1.2
85.02886	0.6
85.06522	1.2
91.05472	7.5
94.05019	0.4
95.04967	3.4
97.06530	0.8
103.05463	9.1
105.03385	17.9
105.06993	2.0
107.04958	0.7
108.05715	1.1
109.06482	1.8
109.10146	0.7
111.04408	1.2
113.06000	4.8
113.34039	0.5
115.05432	7.4
117.07007	1.0
123.08105	0.7
128.06195	0.6
129.06966	2.5
131.04916	51.4
135.11635	0.4
137.05949	1.8
141.05469	3.6
141.06973	3.4
142.07770	1.1
143.08527	1.7
145.06441	0.8
145.10101	0.8
151.07535	2.4
153.06941	0.9
154.07738	1.2
155.04890	2.7
155.08536	3.0
157.02757	0.5
157.06403	0.9
161.05992	0.7
165.06949	1.2
167.08556	1.6
168.09306	1.3
169.06451	1.3
169.08583	5.4
169.10117	2.7
171.04366	0.7
171.08011	1.4
173.05959	1.8
173.09570	1.7
175.03957	1.1
178.07733	5.4
179.06978	2.2
179.08572	2.1
180.09299	0.9
181.06465	1.3
182.07272	1.3
183.04393	1.4
183.06558	0.8
183.08018	0.8
183.11665	2.9
185.04427	1.8
186.10391	2.0
187.07504	1.5
187.11200	3.3
193.10117	21.0
195.07986	0.5
196.08856	3.9
197.05991	0.8
197.09602	10.9
199.03984	0.7
200.08325	0.6
201.05522	0.6
201.09105	1.2
203.08644	0.5
205.10097	1.3
211.11197	5.6
213.09039	0.8
214.07832	0.8
214.09886	17.6
215.07048	18.2
215.10638	26.2
217.10110	0.6
221.09572	1.6
224.08305	1.1
225.05406	0.9
229.10208	0.6
233.09572	1.5
235.11058	0.9
239.06932	2.1
239.10649	19.4
241.04884	5.2
257.11710	100.0
258.12000	1.0
259.05927	7.4
261.09106	7.6
267.06586	6.6
267.09851	3.9
268.07227	0.9
279.10095	8.8
285.11356	2.4
303.10190	3.7
329.08093	3.5
337.10757	1.1
347.08960	0.8
355.11743	46.7
356.12000	0.6
374.66165	0.5
383.12408	0.6
385.17953	0.5
401.13779	8.8
443.14880	9.5
471.18118	4.5
479.14697	0.6
497.15829	3.3
515.16705	2.6
523.16870	0.6
541.22131	1.6
567.44800	0.5
593.21436	1.5
611.22754	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	611.1602
Annotation	Myricetin 3-rhamnosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
51.14827	2.2
53.42008	1.8
55.05485	3.3
57.03429	15.0
63.82112	1.8
65.76025	2.1
69.03429	13.4
71.04988	80.8
71.72385	3.4
73.02906	7.7
75.04475	5.9
83.04972	11.0
85.02898	100.0
87.04459	4.1
99.04440	5.1
109.02843	2.3
111.04427	5.7
117.05482	8.1
127.03859	2.7
129.05475	25.2
139.03990	2.7
147.06499	7.5
153.01830	16.7
153.05466	2.9
163.06015	8.9
165.01857	6.1
171.68239	2.0
179.03413	2.5
215.03329	2.5
217.05037	2.7
245.04420	4.6
252.72139	2.0
273.04007	3.0
290.04535	2.2
303.04929	14.5
315.05032	4.9
319.04453	96.0
329.02899	2.9
331.04419	32.1
332.05197	4.4
343.04453	10.0
344.82230	2.3
357.05920	3.9
361.05533	63.0
369.06033	5.0
383.07376	4.9
385.05515	18.5
411.07080	12.2
429.08221	33.0
447.09134	19.5
465.10251	49.5
513.26453	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.88175	0.4
51.70187	0.4
61.02673	0.4
61.02916	3.6
68.02093	0.5
68.99774	0.5
69.03403	1.3
70.92617	0.5
70.92952	0.6
73.02895	0.7
78.09590	0.4
81.03421	0.4
85.02895	5.6
91.03957	2.6
97.02895	2.5
99.04443	0.5
105.78195	0.3
109.02858	0.5
111.00791	0.7
115.29158	0.4
121.02865	2.1
127.03925	1.5
133.02808	0.6
139.03886	2.3
145.04921	1.1
153.01811	3.9
157.06436	0.4
165.01823	1.3
167.05591	0.4
183.02776	0.6
213.05527	1.2
231.06404	0.8
234.16641	0.5
241.04857	0.7
258.05215	1.0
287.05469	100.0
288.05865	1.3
295.96747	0.5
319.04437	0.8
329.06488	0.6
449.10773	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	611.16
Annotation	Cyanin
Peak:m/z	Relative Intensity
54.42829	0.2
57.03437	0.4
61.02924	3.8
68.89335	0.3
68.99401	0.2
68.99766	0.6
69.03410	0.9
69.59419	1.5
69.59836	0.5
71.04966	0.2
73.02897	0.7
85.02901	3.5
91.03970	1.9
91.05784	0.3
97.02876	1.8
109.02856	0.3
111.00780	0.9
120.99586	0.3
121.02868	2.0
122.42761	0.2
127.03899	1.5
133.02864	0.6
137.02333	0.7
139.03882	0.8
140.04271	0.2
145.04910	0.3
147.04364	0.3
147.46854	0.2
151.03876	0.5
153.01822	2.8
157.06453	0.3
159.05539	0.6
163.03821	0.4
165.01846	1.6
179.03381	0.7
183.02853	0.7
185.06004	0.4
189.05603	0.3
203.03490	0.3
213.05460	1.1
231.06523	0.6
241.04904	0.4
245.04456	0.4
258.05200	0.8
259.05716	0.4
260.61661	0.2
269.04401	0.3
281.09195	0.3
287.05469	100.0
288.05783	1.8
299.05594	0.4
303.05026	1.6
402.42468	0.3
449.10770	7.3
563.90967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	3,7,2',3',4'-Pentahydroxyflavone 3-neohesperidoside
Peak:m/z	Relative Intensity
54.53013	0.5
57.03436	3.5
61.02895	0.8
66.88339	0.5
68.99765	0.7
69.03388	1.2
70.52466	0.4
70.92528	0.4
71.04989	19.4
71.33794	0.7
71.34127	0.6
75.04442	0.9
81.03392	0.5
83.04936	0.6
85.02901	23.6
95.04935	0.6
95.22755	0.4
97.02853	1.9
106.93755	0.4
109.02863	0.6
111.00744	0.9
121.02814	2.4
123.04420	0.4
127.03861	1.6
129.05482	4.9
137.02388	2.6
137.03325	0.6
139.03848	1.5
145.04893	0.5
147.04395	0.7
151.03856	0.4
153.01787	5.0
162.93921	0.4
163.03871	1.1
165.01837	2.9
183.02812	0.9
201.05400	1.4
213.05490	0.6
229.04912	4.0
231.06447	0.5
243.77634	0.5
247.05986	0.8
257.04440	2.0
258.05139	0.5
274.04672	1.0
285.04065	1.2
287.05481	61.5
288.05856	1.0
303.04977	100.0
304.05307	1.3
311.28482	0.5
319.04413	0.6
413.08389	0.8
449.10614	3.3
465.10284	14.6
558.24274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1393
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.00299	1.2
53.71380	0.5
53.88470	0.5
53.89697	0.5
55.01862	1.3
65.03928	1.8
68.99781	4.5
71.01301	1.5
74.42080	0.5
81.03410	0.8
85.02884	1.0
87.34912	0.5
89.50158	0.4
91.31666	0.5
95.04961	1.2
97.02948	0.5
97.60399	0.5
98.00240	0.5
99.04453	1.0
105.03335	0.7
107.04965	2.6
109.02866	2.7
111.00807	5.3
111.04469	1.0
121.02855	3.0
123.04410	8.7
127.03907	53.0
131.04874	0.9
133.02869	2.1
135.04424	4.9
137.02400	0.8
139.03888	100.0
140.04204	0.9
145.02840	0.6
147.04391	6.3
149.02383	2.0
149.05980	0.7
151.03899	23.6
153.01816	1.9
155.03366	1.7
155.04617	0.6
157.06470	1.8
159.04395	2.1
161.05972	1.2
163.03896	13.8
165.05444	1.4
167.03401	1.5
169.04892	1.3
171.04353	1.1
173.05974	0.6
175.03889	11.9
177.05444	4.8
179.03389	29.8
181.04950	6.9
183.04349	1.0
185.05971	1.6
187.03841	1.1
189.01636	0.6
189.05446	3.8
191.03358	6.9
193.04945	7.3
195.06511	1.4
197.06053	0.5
199.03909	2.0
199.45139	0.6
201.05374	3.6
203.03381	19.5
203.07234	0.6
205.04984	1.5
211.03854	0.8
213.05418	3.6
215.03381	1.6
217.04955	5.1
219.06396	0.6
221.04453	1.0
223.05905	0.9
225.05536	0.9
227.03442	0.9
229.05003	5.2
231.06540	2.2
233.04408	2.1
241.04977	2.6
243.06702	0.7
245.04436	14.7
253.04886	0.8
254.17186	0.5
257.04453	18.8
258.05194	1.9
259.06055	3.1
263.05472	7.3
269.04401	3.9
271.05966	4.4
275.02493	1.0
275.05484	17.2
277.07080	0.7
281.04474	1.1
283.06030	0.8
287.05475	56.3
288.05756	1.2
289.07010	2.4
299.05481	18.5
299.08893	1.0
300.05975	0.5
301.06769	0.5
303.04990	2.1
305.06583	5.6
307.08044	4.1
311.05399	1.8
317.06546	11.7
319.08112	1.5
321.52069	0.7
329.06604	1.2
349.09174	0.6
407.07513	1.6
425.08655	29.5
437.08463	2.4
443.09695	6.1
449.08633	2.1
455.09625	1.8
464.53415	0.6
467.09738	5.8
485.10873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
65.03924	1.8
68.99774	4.3
71.32497	2.0
81.03409	1.8
95.04996	0.9
97.02901	1.4
101.82673	0.9
102.64427	0.7
103.23048	0.8
107.04942	1.1
109.02878	3.0
110.87790	0.7
111.00801	4.6
111.04439	1.3
117.07015	0.7
119.04977	1.0
121.02845	1.8
123.04435	7.6
127.03910	52.8
129.06976	0.9
131.04962	1.0
133.02824	1.5
135.04437	1.9
137.05898	0.8
139.03896	100.0
140.04257	1.1
147.04390	3.3
147.11264	0.7
149.02296	1.7
151.03906	20.6
153.01775	3.7
155.03406	1.3
157.06517	1.1
159.04445	2.2
161.06007	1.6
163.03903	14.6
167.03433	2.8
169.04968	1.2
171.04402	1.4
173.05984	1.3
175.03874	9.5
177.05443	7.0
179.03397	24.3
181.04956	4.8
185.05992	1.3
187.04002	1.0
189.05478	2.6
191.03386	6.3
193.04971	2.9
195.06592	1.1
197.06009	1.1
199.03954	2.1
201.05482	2.6
203.03375	11.9
205.04970	2.9
213.05466	3.4
214.46420	0.7
215.03354	1.6
217.04962	3.2
219.06531	0.9
221.04478	0.9
225.05620	1.0
229.04970	4.5
231.06494	2.1
233.04448	2.5
241.04953	2.9
243.45082	0.9
245.04436	10.0
247.06030	2.0
251.05476	1.1
253.04831	0.9
257.04440	10.9
258.05011	0.8
259.05991	4.2
263.05502	9.8
269.04520	3.9
271.05984	1.7
275.05426	15.3
277.07169	0.9
281.04578	1.1
287.05478	33.2
288.05942	1.5
289.07025	1.8
289.10034	0.8
299.05447	11.2
303.05066	1.7
305.06604	8.0
307.08127	4.7
311.05475	1.1
317.06543	8.8
355.22000	0.8
380.06250	0.8
407.07657	3.5
425.08670	16.3
437.08173	1.1
443.09750	7.9
449.09763	0.8
455.09732	2.5
467.09650	2.6
575.12079	0.9
591.66138	0.9
611.68616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
51.02396	0.4
65.03934	0.8
68.99777	0.8
69.03416	0.4
69.57144	2.5
69.57573	0.7
81.03416	0.7
85.02895	0.7
88.51189	0.3
91.05470	8.7
95.04945	0.5
97.02881	1.0
98.21445	0.6
99.76730	0.3
100.50150	0.3
109.02861	0.6
111.00768	0.9
119.04932	22.5
121.02853	1.2
127.03922	0.9
137.02306	3.9
145.06528	0.5
147.04393	76.5
148.04745	1.0
149.02380	0.5
153.01816	4.4
161.05949	0.5
163.03847	0.8
165.01796	2.3
165.05516	2.1
166.02675	0.4
175.46339	0.3
183.02930	0.9
187.03899	0.6
201.05452	2.7
228.04208	0.5
229.04927	5.1
231.06459	0.5
239.03389	0.4
247.05968	0.5
257.04413	3.2
274.04865	0.5
284.00528	0.4
285.03976	1.4
291.08609	1.8
303.04968	100.0
304.05276	2.2
309.09683	1.2
542.89398	0.4
569.56714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14083	0.7
55.01861	1.6
65.03927	1.2
66.55627	0.6
68.99783	7.2
69.00115	1.0
70.64833	2.1
81.03416	3.0
91.05477	0.8
95.04976	1.0
99.04482	0.7
105.03378	0.6
109.02872	4.3
111.00797	7.4
111.04446	1.5
119.04981	0.8
121.02867	1.6
123.04409	9.4
127.03904	100.0
128.04373	0.7
133.02829	2.6
135.04413	2.0
137.02321	0.9
139.03888	98.9
140.04205	1.4
147.04405	6.1
149.02361	2.4
149.05984	1.1
151.03888	29.0
153.01788	0.8
155.03307	0.9
157.06357	1.0
159.04391	1.6
161.05978	1.5
163.03896	8.7
165.05437	1.5
167.03413	5.4
167.04779	1.0
169.04956	1.8
169.06406	0.7
171.04381	1.4
173.06075	1.1
175.03888	14.6
177.05457	5.4
179.03380	38.3
181.04974	4.2
183.04488	1.1
185.05934	2.5
187.03897	1.1
189.05476	2.6
191.03365	9.7
193.04961	4.1
197.06020	1.3
199.03883	2.1
201.05435	4.8
203.03371	18.4
205.04942	2.3
211.03864	0.7
213.05469	3.5
215.03363	1.0
217.04973	3.9
219.06458	0.9
225.05412	0.9
225.79845	0.6
227.03340	1.1
229.04950	4.9
231.06500	4.1
233.04442	6.8
241.04930	2.2
245.04407	10.1
251.05472	1.4
253.04907	1.2
257.04431	13.1
258.04993	0.7
259.06027	3.4
263.05475	18.0
269.04401	2.7
271.05927	2.4
275.05481	16.1
287.05469	43.4
288.05823	1.8
289.07001	2.8
299.05481	19.5
299.08856	0.7
305.06509	7.7
307.08078	9.3
317.06561	17.8
321.49536	0.6
348.83844	0.7
407.07404	1.5
425.08636	20.1
426.08881	1.1
443.09644	11.0
467.09476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.7
65.03927	1.0
69.03424	5.5
69.24249	0.6
71.01325	0.7
71.04935	0.6
71.15961	1.3
71.16335	1.2
72.75135	0.6
73.38461	0.5
83.04979	4.4
85.02910	1.4
91.05470	9.0
107.04962	0.7
111.00784	0.7
111.04446	4.4
118.34376	0.5
119.04929	21.0
129.05446	1.0
139.03972	0.7
145.06468	0.6
147.04395	100.0
148.04726	1.5
153.01730	1.4
165.05400	0.7
166.20695	0.5
191.03564	0.6
197.05956	1.4
215.07011	0.9
245.04590	0.8
293.10181	8.7
298.37598	0.6
319.04465	12.4
331.04440	1.0
343.04330	1.1
361.05539	3.0
411.06931	0.9
429.08078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98278	1.0
63.34401	0.9
69.72968	7.1
69.73296	1.7
122.51356	0.9
139.16670	0.8
142.48817	0.9
250.97212	1.1
268.98227	100.0
269.98541	1.5
328.99371	2.5
347.00369	2.2
359.00607	1.0
364.30884	0.9
378.28851	0.9
381.07840	5.1
414.36389	0.9
529.17841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1388
Annotation	Theasinensin C
Peak:m/z	Relative Intensity
55.05497	1.6
62.44354	0.4
65.03924	1.1
69.03114	0.5
69.03426	6.5
70.35252	2.1
71.01324	0.7
83.04518	0.6
83.04976	8.7
84.11095	0.6
85.02876	0.8
88.57779	0.5
91.05467	6.9
95.04951	1.7
105.06971	0.7
107.04937	2.1
111.04430	5.7
119.04934	20.1
139.03877	1.2
147.04395	100.0
148.04750	1.2
151.05626	0.4
153.01851	1.6
165.01834	0.8
169.04944	1.9
171.07961	0.5
173.05977	1.3
179.03421	0.7
187.07570	1.6
189.05391	0.5
213.09137	2.2
235.56682	0.5
245.04474	0.7
257.08069	1.0
268.10223	0.5
273.03961	0.9
273.36987	0.5
288.61301	0.4
293.10168	14.2
319.04440	10.0
329.02682	0.6
331.04443	1.5
361.05441	2.3
411.07135	1.2
429.08090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01869	2.1
55.05508	16.3
56.93498	1.1
57.03421	3.3
57.07066	1.5
65.03928	1.0
67.05142	1.3
67.05499	26.5
69.07064	12.6
71.04984	1.7
71.46089	2.1
79.05485	16.2
81.03423	1.1
81.07048	25.4
83.04971	1.4
83.08620	6.7
91.05457	16.1
93.07035	17.7
95.04961	2.1
95.08604	22.6
97.06515	1.8
97.10166	3.6
104.87337	1.1
105.07015	14.5
107.08576	12.8
109.10152	10.7
115.05474	2.4
117.07003	8.2
119.08570	17.1
121.10130	7.5
122.76617	1.0
123.08056	1.3
123.11691	3.0
125.09595	1.9
126.15852	1.0
128.06212	3.8
129.07001	11.4
131.08556	14.1
131.09447	1.2
133.10114	12.4
135.08032	1.2
135.11674	6.1
141.06049	1.0
141.06987	6.0
142.07774	3.0
143.08568	14.8
145.10117	15.4
147.11636	7.4
149.13264	2.1
151.11185	1.4
153.06987	1.5
154.07793	1.8
155.08536	12.5
156.09416	1.0
157.10121	13.8
159.11699	11.0
161.13275	3.7
165.07028	1.4
166.07838	1.3
167.08560	6.3
168.09309	2.2
169.10126	13.1
170.10901	1.2
171.11702	13.6
173.13263	5.6
175.14803	2.4
177.16476	1.0
179.08669	1.1
180.04346	0.9
180.09233	1.3
181.10103	9.4
182.10889	1.9
183.11684	16.5
185.13248	8.8
187.14867	3.3
189.16330	1.7
193.10126	4.0
195.11626	9.3
197.13237	13.3
199.13283	1.0
199.14825	5.6
200.15714	1.0
201.16428	2.3
207.11716	4.1
209.13252	9.0
210.13763	0.9
211.14819	9.7
213.16393	4.9
215.17984	1.5
221.13260	3.4
223.14891	6.0
225.14587	1.0
225.16400	5.4
227.18034	2.4
233.13397	1.3
235.14841	2.9
237.16281	5.1
239.17953	3.5
241.19598	1.1
249.16399	2.0
251.17993	3.8
253.19623	1.8
257.19043	2.0
265.19650	1.6
267.21109	1.4
279.21118	1.6
299.20428	1.3
299.23972	1.3
309.22156	1.5
323.23599	2.1
337.25427	2.1
351.26907	3.3
353.24384	1.2
365.24698	1.1
365.28564	1.3
367.26178	1.4
377.28204	1.6
379.30008	1.6
391.30087	1.2
393.31958	1.2
409.31015	1.4
421.30728	1.4
437.34286	1.3
447.32645	2.1
487.34201	1.0
499.39340	2.5
505.18188	6.6
506.18750	1.3
517.40436	16.8
521.36243	1.3
527.01782	1.0
535.41357	9.3
539.37256	1.1
553.42218	1.6
573.43262	1.8
591.44067	16.3
609.24377	5.7
609.45099	100.0
610.45221	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07737	2.2
53.03935	9.0
55.01872	5.3
55.05501	22.2
57.03424	11.3
65.03938	3.7
67.05141	3.9
67.05500	67.8
69.07059	22.9
71.04987	3.2
71.64902	3.7
77.03934	2.0
79.05485	61.2
81.03432	4.6
81.07047	64.9
82.44696	2.0
82.90400	2.5
83.04980	7.0
83.08613	10.3
85.06532	5.1
91.04926	4.7
91.05473	68.4
91.06050	3.6
93.07036	67.7
94.43467	2.3
95.01335	4.1
95.04971	13.8
95.08594	41.7
97.06522	11.0
97.10177	4.1
97.87129	2.4
99.04455	2.7
103.05473	3.3
105.07021	65.7
107.04949	11.6
107.08583	31.8
109.06536	6.6
109.10168	17.6
111.08069	3.9
116.06235	2.8
117.07018	20.6
117.67970	2.2
119.08570	45.0
121.10129	23.9
123.08079	5.1
123.11684	3.3
128.06189	2.9
129.06996	5.7
131.08563	30.2
133.10112	36.4
135.08061	5.7
135.11702	14.9
137.09647	2.2
143.08588	6.1
145.10104	24.5
147.11647	17.4
149.09602	8.4
149.13261	4.5
153.12807	2.6
155.08548	2.8
157.10136	6.3
159.11682	15.6
161.13266	5.8
163.11200	4.8
171.11647	3.5
173.13240	8.1
179.14319	10.0
183.11673	4.2
185.13199	4.8
197.13263	2.9
201.16415	7.2
203.14374	5.3
219.17419	100.0
239.17967	4.6
257.18976	10.8
275.20056	71.6
293.21036	4.0
300.15701	2.1
306.67178	2.0
335.25708	2.5
338.44812	2.0
476.21747	4.0
604.17078	2.6
609.27283	21.5
609.45074	72.4
610.27454	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	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68940	0.6
53.03936	2.2
55.01856	2.0
55.05243	0.9
55.05509	14.6
57.03434	3.8
57.07072	2.4
57.22488	0.8
59.04990	0.8
64.59778	0.6
65.03952	1.3
67.05500	29.8
68.72521	0.7
69.07059	15.3
71.04998	1.6
71.08621	1.0
77.03903	0.9
79.05488	18.2
81.03478	0.6
81.07050	28.3
83.04975	1.6
83.08616	7.5
83.75642	0.6
84.39000	0.8
85.06561	1.6
89.41582	0.6
91.05466	18.7
93.07039	22.7
93.07604	1.4
95.04961	2.2
95.08597	25.5
95.09210	1.2
95.40069	0.6
97.06543	2.4
97.10159	3.6
98.20767	1.9
99.08080	1.0
105.07022	17.1
107.04951	0.8
107.08583	15.0
107.09260	1.3
109.06518	1.8
109.10150	10.4
111.08069	1.2
115.05460	1.6
117.07011	10.0
119.08575	16.8
121.06560	0.7
121.10130	9.9
123.08074	0.9
123.11688	2.0
125.09627	1.7
128.06219	3.2
129.06998	11.4
131.08548	14.5
131.09471	0.9
133.10106	12.1
135.11685	6.5
137.13260	0.8
141.06970	5.1
142.07759	4.0
143.08549	17.6
144.09273	0.8
145.10109	18.3
147.08003	0.6
147.11670	7.3
149.09657	1.2
149.13286	2.8
153.06984	1.9
154.07777	2.2
155.06039	0.6
155.08546	12.5
156.09346	1.8
157.10107	15.9
159.11665	11.7
161.13269	3.9
163.11151	0.9
163.14746	1.0
165.07010	1.8
166.07820	0.8
167.08566	7.5
168.09322	1.7
169.10110	16.9
170.10884	1.5
171.11674	11.9
173.13232	7.2
175.14880	2.2
179.08572	2.3
180.09323	1.1
181.10094	10.1
182.10901	2.5
183.11690	17.9
185.13263	9.3
187.14832	4.7
189.16403	1.7
193.10158	3.7
194.10753	0.9
195.11703	10.6
196.12521	1.4
197.13231	12.5
199.14833	7.7
201.16380	2.1
203.17989	1.0
205.10165	1.3
207.11656	3.9
208.12541	1.0
209.13242	8.1
210.14153	0.8
211.14813	8.1
213.16364	4.8
221.13310	2.6
223.14851	5.8
225.16362	5.7
227.17987	3.0
229.19696	1.0
233.13269	1.5
233.15448	0.7
235.14897	2.9
237.16406	4.4
239.17984	4.9
241.19643	1.9
249.16396	2.1
251.17848	3.6
253.19540	2.3
257.19064	2.9
259.20734	0.9
263.17969	1.3
265.19498	2.0
267.21158	1.2
273.18475	1.0
275.20074	3.4
277.19620	1.2
279.20999	0.9
283.20276	0.8
293.22449	1.0
309.22162	0.9
311.23624	1.0
313.21628	1.3
321.22256	0.9
323.23474	1.5
325.21729	1.1
325.25543	0.7
331.22513	0.8
333.22079	0.8
335.26102	1.0
337.25211	1.8
339.23099	1.2
349.25644	0.7
351.22980	0.9
351.26904	2.5
353.29013	0.8
361.24930	0.7
363.26605	0.9
365.28403	1.5
369.27875	0.9
377.28699	0.8
379.25903	0.9
379.30115	1.2
381.27997	1.0
391.29959	1.1
393.27301	0.8
393.31628	1.6
395.29398	0.8
405.31863	0.8
426.63507	0.7
435.32932	0.8
447.32663	1.5
449.34100	1.0
461.33963	1.0
466.11853	0.7
475.34714	0.8
487.66705	0.6
499.39664	3.3
501.35696	1.6
517.40424	14.2
525.35583	1.0
535.41656	7.2
539.37518	1.0
540.38226	0.7
541.38831	1.0
553.40942	1.0
555.42413	1.0
573.43158	2.0
591.44122	13.8
609.45099	100.0
610.45667	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.5
55.01856	8.0
55.05285	2.6
55.05509	34.9
57.03432	16.4
61.02898	2.8
65.03919	3.2
67.05499	65.3
69.03421	22.4
69.07056	17.7
71.01335	4.3
71.04987	13.5
71.77116	2.6
79.05487	61.0
81.03409	100.0
81.07050	48.4
81.24129	2.4
83.04968	29.5
83.08628	19.2
83.43661	2.6
85.02902	19.7
85.06524	6.1
91.04945	3.6
91.05469	48.8
93.07039	53.8
95.04963	31.6
95.08595	20.9
97.02881	25.5
97.06515	15.6
97.10163	14.5
99.04414	7.4
105.07031	27.0
107.04947	11.9
107.08586	32.8
109.02860	20.6
109.06503	11.1
109.10126	9.7
111.04423	21.9
111.08064	9.8
117.07021	13.7
119.04916	4.8
119.08579	21.3
121.06496	7.6
121.10111	12.7
123.08039	4.4
123.11733	3.3
125.09603	4.2
127.03925	18.9
129.05458	3.8
129.06964	13.5
131.04921	3.2
131.08557	12.3
133.06500	5.2
133.10109	15.8
135.08015	4.4
135.11664	28.5
136.19510	2.3
137.09627	2.9
139.03906	10.9
143.08551	3.9
145.06451	6.5
145.10152	12.1
147.04385	15.7
147.08063	3.9
147.11700	13.6
149.09573	7.3
151.11182	3.7
153.12738	5.1
155.08531	2.6
157.10126	10.4
163.11156	9.9
165.05391	3.2
165.12737	6.0
169.10057	4.3
173.04372	2.7
173.93988	2.3
175.11159	10.6
177.05511	2.4
177.12685	2.7
181.12193	12.5
191.10667	4.0
193.12193	32.3
211.13272	46.1
223.13135	2.5
227.12766	8.2
255.15948	17.6
263.97672	2.6
267.16000	9.8
285.16953	7.9
289.14359	3.5
293.80466	2.5
325.16473	5.6
337.16327	3.1
355.17438	8.8
355.22214	4.2
393.19293	2.5
411.19977	5.1
429.26318	4.8
447.27341	22.0
465.28519	16.6
591.31195	9.6
593.38580	2.5
609.32721	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.2
55.01863	7.7
55.05508	20.6
57.03435	13.4
58.72669	1.3
60.92735	1.3
61.02914	2.2
65.03941	1.9
67.05498	61.6
69.03426	18.0
69.07059	16.4
71.01341	3.2
71.04988	7.9
71.44162	3.0
73.02893	2.3
79.05485	52.3
79.05944	2.9
80.74739	1.5
81.03410	100.0
81.07047	41.7
83.04972	23.0
83.08615	17.7
85.02905	18.3
85.06530	4.8
91.05467	42.0
93.07036	52.3
95.04955	25.5
95.08617	13.9
96.08950	1.4
97.02897	17.4
97.06529	10.5
97.10167	11.6
99.04453	5.8
99.08076	2.6
105.07016	24.2
105.07654	2.3
107.04932	9.2
107.08580	29.1
109.02869	17.3
109.06510	5.8
109.10137	9.3
111.04453	17.0
111.08055	9.6
111.64255	1.3
113.05946	1.5
115.05466	3.6
117.07005	6.8
119.04895	1.7
119.08574	19.1
119.74565	1.3
121.06501	5.6
121.10130	16.1
123.04390	2.4
123.08028	2.7
123.11679	3.5
125.09628	4.4
126.01775	1.4
127.03900	14.4
129.06947	7.9
131.04926	2.3
131.07510	1.5
131.08574	10.1
133.06477	3.4
133.10124	12.1
135.08046	4.3
135.11679	32.6
137.06038	2.2
137.09584	2.3
139.03879	4.1
141.06985	1.9
143.08572	4.0
145.06512	3.1
145.10091	11.2
147.04382	2.2
147.08089	1.9
147.11661	14.4
149.05975	1.7
149.09641	6.6
149.13213	2.1
151.11179	3.3
153.12779	4.4
157.10098	8.2
159.11702	3.1
161.09612	1.8
163.11147	11.6
165.12762	3.6
167.07008	1.5
169.10165	2.1
173.04576	1.6
173.09717	2.7
175.07654	1.6
175.11148	10.0
181.12227	12.5
185.13182	1.3
189.11153	1.9
191.10725	5.5
193.12233	35.7
199.13383	1.9
200.43228	1.5
201.12784	1.6
203.14296	1.8
211.11269	3.4
211.13257	50.6
219.14034	1.8
227.12744	9.2
229.14301	1.8
235.13191	1.6
247.13596	1.8
249.15028	2.0
253.14478	2.0
255.15913	13.5
267.15933	5.5
273.14981	1.8
283.15460	3.6
285.17139	3.1
301.14072	1.8
307.15472	2.6
319.15616	2.1
325.16599	4.2
337.16327	3.6
355.17557	12.0
355.22687	4.3
373.23944	2.6
381.19180	4.7
403.24396	2.2
411.20142	5.3
421.25818	2.1
429.26312	5.8
435.96021	1.6
447.27444	22.1
465.28369	17.9
573.30652	3.3
591.31348	7.1
609.32684	83.5
610.32971	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52408	1.8
51.39680	2.0
51.70045	1.8
53.03937	4.3
54.99644	2.1
55.01863	4.8
55.05508	7.6
57.03432	26.2
61.02924	80.6
65.03931	2.3
67.05504	16.8
69.03423	30.5
69.07065	10.8
71.01350	3.4
71.04987	8.2
73.02920	27.7
79.05496	12.9
81.03415	30.7
81.06561	3.2
81.07050	69.3
83.04973	9.6
83.08612	7.9
85.02904	100.0
85.06533	3.9
87.04449	2.9
91.03953	51.6
91.05459	21.0
93.07034	10.9
95.04958	3.9
95.08579	11.0
97.02886	74.9
97.06512	7.3
99.02007	1.9
99.04440	11.1
99.08092	2.3
101.02376	8.5
101.06020	2.3
103.03941	4.7
105.07020	32.1
107.04969	3.0
107.08590	12.0
109.02861	18.2
109.06496	3.0
111.04407	2.2
115.03928	7.2
119.08578	26.7
121.10139	18.5
123.04450	4.2
123.08083	4.4
123.11701	26.4
127.03902	43.4
127.07466	2.4
129.05444	5.3
133.10100	3.2
137.05966	2.4
137.13210	4.6
139.03911	24.5
145.04948	18.8
147.04407	12.6
147.11678	74.7
148.11934	2.3
151.03920	5.7
155.06943	2.1
159.06499	5.3
163.03833	3.3
163.06044	6.2
165.05507	3.4
165.12769	43.6
171.06549	2.7
175.11169	6.1
179.03362	3.1
183.06514	19.3
183.13852	8.2
193.12241	8.9
201.07535	10.5
211.13292	3.6
213.98015	2.1
219.80827	2.6
221.10394	2.1
225.38890	2.6
229.14333	42.4
233.02339	2.2
267.15906	66.2
285.16946	97.1
286.17300	2.9
287.05377	4.0
305.06412	2.4
309.16815	7.6
313.16470	13.0
325.16336	3.8
327.18048	9.6
355.17267	2.6
393.19177	7.0
411.20178	17.9
429.21118	24.8
436.09305	2.0
517.47986	2.3
609.27338	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	607.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.3
55.01867	3.9
55.05507	23.4
56.09243	1.2
57.03440	10.1
57.07056	2.3
57.49510	1.3
65.03931	5.4
65.49633	1.5
66.31554	1.4
67.05498	71.1
69.03428	15.9
69.06701	1.3
69.07067	24.0
70.76462	3.3
70.76830	3.0
71.01328	1.8
71.04977	9.3
73.02928	1.7
77.03938	1.5
79.05489	55.6
81.03411	76.1
81.07050	100.0
83.01337	1.5
83.04970	15.5
83.08607	17.6
85.02902	6.4
85.06528	5.1
91.05476	38.0
93.07035	63.3
95.04958	14.3
95.08599	28.2
97.02876	14.5
97.06528	14.8
99.04462	7.0
99.08107	4.3
103.03931	1.2
105.07022	20.5
107.04946	4.5
107.08586	34.0
109.02871	15.2
109.06522	6.4
109.10143	5.0
109.10803	1.3
111.04421	10.7
111.08076	5.9
117.07011	13.1
119.08559	11.2
121.06467	3.8
121.10144	20.1
123.08071	2.4
123.11699	5.4
127.03911	10.9
129.06987	4.3
131.08553	14.9
133.06474	2.6
133.10107	15.3
135.08078	3.7
135.11699	11.2
137.05893	1.5
141.06990	1.3
143.08507	3.0
145.06477	1.4
145.10133	2.2
147.11674	10.0
149.09697	1.6
149.13246	32.0
157.10179	2.8
159.11668	17.3
160.51622	1.6
165.12764	5.5
168.04857	1.3
171.11739	1.8
173.04439	1.7
173.13197	1.9
177.12750	9.8
183.06541	3.1
195.13809	17.0
213.14954	5.4
219.13837	2.0
239.14392	2.2
249.14816	3.3
257.15286	1.9
267.15884	6.6
269.17499	16.5
275.16336	2.1
285.14624	1.6
297.17123	2.9
303.15863	2.5
321.17029	6.2
339.18085	16.3
349.20013	1.8
377.19589	4.2
380.22519	1.6
395.20547	13.2
445.29544	2.9
463.30518	16.0
589.33118	2.4
607.34686	99.3
608.35382	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	607.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81330	1.0
53.03943	8.5
55.01863	3.6
55.05507	21.3
57.03440	6.5
57.07058	2.6
65.03940	3.7
67.05501	68.7
69.03426	16.8
69.07060	24.3
69.40952	2.0
69.41358	10.0
69.59922	1.1
71.01369	1.0
71.04984	8.2
73.02897	1.3
79.05487	47.9
81.03410	62.0
81.07049	89.7
83.04972	18.4
83.08617	14.1
85.02896	3.9
85.06528	4.5
91.05470	33.2
93.07038	59.4
95.04964	12.1
95.08600	24.9
97.02886	11.4
97.06534	10.6
97.10168	1.5
97.92562	1.0
99.04458	3.7
99.08091	3.6
100.35665	1.1
103.05446	1.8
105.07018	17.8
107.04966	3.7
107.08587	33.5
109.02876	10.7
109.06519	3.3
109.10162	4.7
111.04443	9.7
111.08101	5.9
115.05436	2.5
117.07007	13.5
118.52925	1.1
119.08578	7.8
121.06478	3.7
121.10130	18.2
123.04431	1.3
123.08069	1.8
123.11696	5.5
125.09550	1.2
127.03922	9.3
129.05505	1.0
129.07007	3.1
131.04897	1.1
131.08571	11.6
133.06471	1.5
133.10129	12.5
135.08043	3.6
135.11673	10.0
137.06009	1.8
139.07532	1.4
139.11205	1.2
142.32690	0.9
143.08606	1.7
145.06468	2.0
145.10071	2.0
147.11684	10.4
149.13245	27.4
155.08672	1.9
157.10190	2.3
159.08012	1.6
159.11688	13.9
165.12750	5.0
171.11786	1.8
173.04550	1.4
173.13326	1.2
175.11246	1.5
177.12761	9.6
183.06551	3.3
195.13791	21.8
213.14906	3.9
219.13826	2.0
233.15479	1.0
249.14777	1.2
253.11864	1.1
267.15848	5.0
269.17514	13.4
275.16464	1.5
285.17276	1.2
303.15952	1.7
321.16785	5.1
339.18045	16.1
377.19739	2.8
395.20648	12.4
411.19992	1.2
445.29520	1.2
463.30408	12.8
533.31201	1.4
541.02460	1.1
559.26575	1.3
589.33698	3.2
607.34760	100.0
608.35272	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	607.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.9
55.01859	5.1
55.05505	23.3
57.03430	7.9
57.07061	2.1
65.03936	3.7
67.05499	69.8
69.03419	20.9
69.07056	23.5
69.72876	10.3
71.01357	1.6
71.04970	6.9
73.02905	2.2
77.03844	1.3
79.05483	51.7
81.03407	74.1
81.07048	100.0
83.04969	18.7
83.08606	17.3
85.02884	5.9
85.06524	4.7
91.05471	34.4
93.07032	61.2
95.04965	13.8
95.08591	28.6
97.02872	13.2
97.06514	12.0
97.10146	1.3
99.04465	7.6
99.08064	3.9
105.07011	23.5
105.07658	2.4
107.04944	5.8
107.08585	32.4
109.02869	13.1
109.06514	5.4
109.10143	4.9
111.04447	9.8
111.08073	5.5
115.05494	1.8
117.07002	12.1
118.11447	1.3
119.08567	12.8
121.06490	5.5
121.10132	18.2
123.04432	2.1
123.08039	2.1
123.11692	6.9
127.03082	1.7
127.03893	9.5
129.07005	4.4
131.04945	2.1
131.08549	14.3
133.06462	2.0
133.10118	15.0
135.08058	3.7
135.11671	9.1
137.05960	1.9
139.11189	1.8
141.06964	3.1
143.08524	4.6
145.06502	3.4
145.10100	4.0
147.08073	2.2
147.11699	13.2
149.09541	2.0
149.13245	26.2
155.08524	2.2
157.10130	3.3
159.11685	14.9
165.12756	5.3
167.14305	1.4
169.10057	2.8
171.11685	1.6
173.04488	3.3
173.09619	1.6
173.13228	1.8
175.11180	2.1
177.12746	8.9
183.06503	2.2
189.12627	1.5
192.52814	1.3
193.12204	2.5
195.13785	24.4
195.15433	2.3
197.13260	2.2
207.13864	1.5
213.14877	5.1
219.13936	1.8
231.13768	1.6
233.15361	1.7
261.14761	1.6
267.15952	6.6
269.17456	13.0
275.16461	2.0
285.14670	2.3
303.16003	3.4
321.16919	4.4
339.18008	16.0
371.25848	2.1
377.19528	4.1
395.20715	11.7
421.94720	1.5
445.29401	8.8
463.30392	15.7
589.33569	4.1
594.70642	1.3
607.34686	95.7
608.35199	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01560	1.2
51.02370	1.1
53.03936	11.2
55.01850	4.1
55.05501	19.3
57.03432	6.8
57.07062	2.0
57.35958	1.1
63.26049	1.1
65.03923	3.2
67.05495	63.7
69.03051	1.5
69.03422	21.7
69.07056	23.3
70.32587	1.0
71.01356	1.4
71.04986	7.2
79.05479	48.0
81.03408	74.6
81.07044	100.0
83.04967	17.1
83.08614	14.3
85.02887	8.1
85.06535	4.9
91.05467	38.4
91.06050	1.3
93.07032	61.4
95.04965	13.2
95.08020	1.7
95.08596	27.5
95.09207	1.6
97.02877	11.0
97.06499	11.2
97.10177	2.2
98.20579	1.8
99.04449	5.2
99.08074	3.4
103.03884	1.4
103.05423	1.7
105.07018	24.3
107.04967	5.6
107.08582	32.0
109.02869	14.7
109.06480	6.3
109.10133	5.0
111.04440	9.6
111.08084	6.6
111.08712	1.1
113.05949	1.4
117.07009	12.5
119.04942	1.6
119.08553	12.1
121.06477	4.1
121.10125	16.7
123.04410	1.4
123.08096	1.9
123.11702	5.2
127.03916	10.6
129.05461	1.5
129.06978	5.9
131.04901	1.9
131.08543	18.4
133.06476	2.9
133.10107	14.8
135.08073	2.7
135.11685	7.3
137.05977	1.8
141.07031	1.8
142.07742	1.4
142.49654	0.9
143.08569	3.5
145.06474	2.2
145.10114	3.5
147.08080	2.4
147.11674	12.5
149.05894	1.1
149.09612	1.3
149.13248	26.9
155.08563	2.5
157.10117	3.6
159.07991	2.0
159.11674	14.9
161.06012	1.4
161.13254	1.4
163.11235	1.4
165.12784	4.0
169.10158	1.6
171.08089	1.1
171.11652	1.4
173.04449	3.2
173.13251	2.3
175.11143	2.1
177.12756	9.6
179.08766	1.0
179.14310	1.6
183.06520	2.7
183.11763	1.5
187.07689	1.5
193.12309	1.8
195.11829	2.0
195.13771	22.8
197.13277	1.6
201.12811	1.4
213.12901	1.4
213.14792	5.0
215.14407	1.2
219.13820	1.7
229.14259	1.7
231.13919	1.0
232.28915	1.0
233.15286	1.8
249.14944	1.6
253.17859	1.3
257.75934	1.1
261.14948	1.8
267.15808	5.5
269.17456	14.1
275.16351	3.1
285.14694	2.1
287.16425	1.4
297.16940	1.3
303.15921	3.8
303.49268	1.3
321.16852	6.4
339.17993	14.4
363.20316	1.0
371.25757	1.6
377.19629	3.4
389.26559	1.2
395.20673	15.4
445.29349	7.5
446.01740	1.2
463.30557	12.1
479.29791	1.8
513.23425	1.1
571.32489	2.9
589.33752	4.3
607.34686	89.8
608.34845	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.0
55.01863	4.5
55.05252	1.8
55.05509	23.0
57.03438	9.3
57.07069	1.9
65.03939	3.2
67.05500	63.1
69.03426	18.2
69.07059	19.5
70.07346	1.1
71.01344	2.1
71.04993	7.1
78.93850	0.9
79.05486	43.8
81.03415	66.9
81.07051	82.0
83.04980	12.8
83.08617	11.7
85.02906	7.0
85.06541	4.3
87.09654	1.1
91.05475	34.7
93.07039	53.0
95.04966	9.8
95.08599	24.1
96.56872	1.1
96.94627	1.0
97.02884	10.1
97.06507	9.0
97.10183	3.0
99.04430	5.0
99.08080	4.6
103.05470	1.7
105.04529	1.3
105.07027	22.5
107.04943	3.7
107.08590	30.1
109.02874	12.1
109.06487	5.1
109.10160	5.3
111.04433	9.9
111.08102	6.6
113.09621	1.1
115.05444	1.5
117.07015	11.1
118.99871	1.0
119.08566	9.7
121.06532	5.1
121.10139	15.2
123.08041	1.5
123.11700	5.3
127.03896	7.9
129.05455	1.9
129.07019	4.8
131.08553	15.7
133.06470	3.5
133.10132	12.5
135.08031	2.8
135.11673	9.6
137.05980	1.5
141.06964	2.4
142.07782	1.2
143.08592	2.2
145.06508	1.9
145.10149	3.5
145.58215	1.2
147.08002	2.2
147.11671	11.9
149.09647	2.5
149.13255	21.2
155.08516	1.9
157.10181	1.8
159.08142	1.4
159.11699	13.0
161.05956	1.2
161.09628	1.5
161.13260	1.4
163.11212	1.6
165.12758	5.0
167.08528	1.5
167.14334	1.1
169.10172	2.3
171.11752	1.9
173.04456	4.6
173.05887	1.5
173.13391	1.8
175.11252	1.6
177.12749	8.9
183.06578	2.9
183.13948	1.0
185.07724	1.1
185.13309	1.6
187.11131	1.2
191.14554	1.3
193.12244	1.3
195.13792	21.7
197.13278	1.6
213.13094	1.4
213.14781	5.4
219.13840	2.3
229.14355	1.5
267.15976	4.3
269.17441	11.8
275.16449	1.5
276.80225	1.1
285.17322	1.7
293.17429	1.2
297.17050	2.3
303.15945	4.2
321.16962	6.6
338.31134	1.2
339.18024	14.1
353.24847	2.0
377.19543	4.1
385.93158	1.2
395.20605	12.3
445.29578	6.9
463.30530	14.0
589.33197	5.2
607.34717	100.0
608.35675	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
55.01862	5.0
55.05271	2.5
55.05504	23.2
57.03425	6.6
57.07069	2.7
65.03936	3.3
67.05499	67.9
69.03423	22.8
69.07063	25.4
69.63905	16.1
71.04987	7.3
78.00615	1.5
79.05489	53.0
81.03411	74.6
81.07049	100.0
83.04975	15.3
83.08620	14.9
85.02901	9.9
85.06538	4.0
91.05474	40.2
93.07037	65.6
95.04962	13.0
95.08603	25.8
97.02897	12.1
97.06532	12.1
97.10168	2.3
99.04455	5.1
99.08099	2.8
105.07011	17.4
107.04951	6.2
107.08588	32.8
109.02882	13.8
109.06503	6.8
109.10149	5.4
111.04459	10.1
111.08075	6.4
113.06079	1.9
116.81461	1.6
117.07013	13.7
119.08591	13.0
121.06512	5.1
121.10127	17.7
123.08110	2.7
123.11695	5.7
127.03928	9.7
129.07004	5.4
131.08557	17.9
132.80708	1.8
133.06485	4.0
133.10100	14.4
135.11720	9.9
137.06046	2.0
141.06969	2.4
141.09225	1.5
145.06583	1.9
145.10130	2.3
147.08014	2.8
147.11674	11.9
149.09737	2.5
149.13223	23.8
155.07213	1.6
155.08577	3.3
157.10077	3.3
159.08093	2.1
159.11690	14.7
159.76227	1.8
161.13274	2.0
165.12778	6.0
177.12776	9.5
183.06514	3.2
183.11877	2.2
195.13799	27.1
213.12874	2.6
213.14783	3.5
219.13699	2.4
243.30215	1.8
253.18066	2.1
261.14850	2.5
267.16013	4.8
269.17447	13.3
285.14624	2.3
293.17398	2.4
297.16916	3.8
303.15927	6.3
321.17059	5.7
335.18936	2.0
339.17923	12.4
377.19678	3.8
395.20691	18.7
463.30362	12.7
500.16434	1.9
523.51660	1.7
533.31482	2.6
587.63416	2.1
589.33514	4.7
607.34729	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28585	0.3
71.71964	0.5
103.52592	0.4
121.19962	0.4
237.13773	0.3
259.42386	0.4
282.85043	0.3
387.15857	0.4
388.16626	0.7
389.17426	1.1
400.19028	0.4
401.17914	0.7
402.18686	0.6
403.19104	3.8
404.19843	1.0
405.20770	1.2
415.19473	0.5
416.20068	1.0
417.16241	0.6
417.21216	4.3
418.21686	1.9
419.22284	3.0
430.17899	1.3
431.18091	7.3
432.18652	1.7
433.18994	0.5
433.24033	8.8
434.24341	1.3
444.18512	0.5
445.19788	8.9
446.20627	4.3
447.21558	4.7
458.21445	0.4
459.21625	5.1
460.22449	15.6
461.23254	15.9
462.23428	1.3
473.23575	3.9
474.23877	1.3
475.21341	0.6
477.22452	0.5
487.25015	2.0
488.25827	0.5
489.22693	0.4
491.24414	0.6
492.25381	0.5
504.25452	0.4
505.21301	2.2
506.26895	0.7
515.24133	0.8
518.23224	0.6
519.26990	1.8
520.28473	0.4
532.24579	1.3
533.25897	0.6
547.26990	51.6
548.27289	4.2
575.26453	1.1
579.29590	1.2
607.29059	100.0
608.29205	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2904
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
51.02396	0.8
55.81682	0.4
82.58626	0.4
179.10089	0.4
185.49513	0.3
230.34129	0.4
276.98087	0.3
386.15970	0.4
388.16415	0.4
389.17664	0.8
401.18018	0.4
403.19077	1.5
404.20032	0.7
405.20648	1.4
415.19177	0.5
416.20306	0.5
417.21429	1.9
418.21393	1.4
419.22107	1.9
431.18188	7.5
431.24042	0.5
432.18564	2.1
433.23959	13.5
434.24731	2.6
445.19592	6.6
446.20703	6.4
447.21671	8.4
449.22775	0.6
459.21588	8.4
460.22449	30.8
461.23285	29.3
462.24271	0.5
473.23544	5.8
474.24136	3.2
477.22968	1.5
487.25122	4.7
488.25586	1.3
489.22928	1.1
491.20673	1.2
491.25125	0.9
492.25241	2.9
504.25143	0.6
505.21838	9.1
506.26541	1.5
515.24585	1.6
517.22162	0.4
518.23267	1.3
519.24170	4.0
519.26953	4.1
520.24567	0.4
532.24744	2.5
533.25238	1.4
547.26996	72.5
548.27216	2.9
563.25952	0.5
575.26117	2.2
578.25049	1.1
579.29443	1.4
592.26172	0.5
607.29071	100.0
608.29486	3.3
632.95050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2546
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.01807	0.7
55.02051	0.4
55.05448	1.0
57.06987	1.5
57.07232	0.5
62.25180	0.4
65.59385	0.4
66.12597	0.3
67.05404	3.1
68.05746	0.4
69.07007	0.8
71.05737	0.5
71.06060	0.9
71.08522	1.4
71.08871	0.5
79.05389	2.6
81.03310	0.6
81.06947	3.8
83.08537	0.8
83.57578	0.4
85.10115	0.5
87.74146	0.3
91.05357	2.5
92.27259	0.4
93.06925	2.9
95.04862	0.5
95.08486	2.6
96.08845	0.4
97.10051	0.6
105.06927	1.4
107.04886	0.5
107.08466	1.5
108.84984	0.5
109.06411	0.7
109.10075	0.4
117.06922	0.8
119.08427	1.4
119.09270	0.4
121.10065	0.8
129.06839	0.7
131.08438	1.0
133.09995	1.2
145.09990	1.1
147.11639	0.8
149.09477	0.7
159.11610	0.7
163.40021	0.4
221.10519	0.5
232.25340	0.4
275.20102	2.5
276.20276	1.7
278.12042	0.4
313.27179	1.6
314.27649	0.8
329.54099	0.4
350.23871	0.9
373.14645	0.6
374.15149	0.5
375.15814	1.1
377.17786	0.5
387.15994	1.1
388.16870	1.5
389.12988	0.5
389.17633	4.7
390.18411	1.6
391.18839	0.9
401.17679	1.5
402.13995	0.7
402.18442	1.4
403.14795	0.6
403.19403	6.1
404.20132	3.2
405.20963	2.9
415.19562	0.9
416.16199	1.7
417.16177	5.8
417.20975	3.2
418.17276	1.4
418.21469	1.7
419.17618	0.8
419.22400	9.5
420.22821	1.1
429.21408	0.5
430.17844	1.7
431.18198	10.7
432.19086	3.7
433.20148	3.1
443.18460	0.6
444.19702	0.9
445.20166	8.5
446.20883	8.3
447.21680	12.5
448.22458	0.7
459.17944	2.7
459.22736	1.4
460.18539	0.9
461.19391	2.0
462.24014	0.6
463.25061	1.5
473.18872	0.9
473.24323	0.8
474.20389	13.6
475.21094	14.2
476.21811	0.9
477.22913	0.6
478.23752	0.7
487.20990	2.7
488.21710	1.2
490.23581	1.7
491.20517	1.5
491.25552	0.8
501.22842	2.0
503.24368	1.0
504.21341	0.4
505.22311	1.0
506.23431	0.6
518.22815	0.6
519.24054	14.9
529.22083	0.8
532.21326	0.8
545.96655	0.4
547.23358	78.1
548.23761	3.2
561.25061	2.0
579.25983	4.5
588.47015	1.3
589.24243	1.7
606.47748	0.5
607.25470	100.0
608.25720	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	607.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.05504	11.5
57.07061	0.8
61.02928	0.8
65.03941	1.4
67.05496	2.2
69.03432	2.1
71.56490	1.6
79.05477	1.6
79.97101	0.8
81.03407	2.6
81.07036	1.7
83.04972	100.0
83.08607	0.9
85.02892	2.6
91.05479	2.9
93.03251	0.8
93.07024	1.7
95.04945	1.0
95.08600	1.0
101.06006	1.4
105.07006	1.8
107.04958	1.1
107.08601	1.2
109.02835	0.8
111.04433	96.3
119.04948	3.3
119.08572	1.3
121.06516	0.9
125.75387	0.6
129.05460	11.4
131.20894	0.7
139.03889	5.0
145.06453	0.8
147.04407	10.1
148.04701	1.1
149.02318	19.4
149.03424	1.4
149.94885	0.8
150.02701	4.2
153.05453	19.9
171.06584	4.9
173.04524	1.0
173.05888	0.9
205.08636	3.4
206.08951	0.9
223.86711	0.8
243.69223	0.8
278.14648	0.9
289.07065	1.2
293.10382	0.8
303.05054	3.0
315.05029	1.7
332.07932	0.8
361.04358	1.3
362.04443	1.4
395.07510	1.0
489.06216	0.9
607.21490	7.3
607.30646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
62.01483	0.3
67.05494	0.6
68.47076	0.2
68.90810	0.2
70.78831	0.2
70.92339	0.4
70.92677	0.2
73.32604	0.2
78.32127	0.2
79.05471	0.3
81.03403	0.3
81.07060	0.4
91.05460	0.3
95.08591	0.3
107.08575	0.4
132.08092	0.2
133.98901	0.2
141.32478	0.3
209.10776	0.5
221.10814	0.3
221.68051	0.3
231.73320	0.2
251.11832	0.3
286.13489	0.3
298.13373	0.3
312.15152	0.3
324.14926	0.4
340.14377	0.3
363.16147	0.3
373.14584	0.5
374.15338	0.9
375.16168	1.0
376.16949	0.5
377.17224	0.3
386.16632	0.5
387.16202	0.9
388.16962	1.1
389.17535	3.6
390.18732	1.4
391.19241	1.4
393.20624	0.3
401.18088	0.7
402.14453	0.7
402.18509	0.9
403.15436	0.7
403.19455	5.5
404.19992	2.1
405.20779	4.0
406.21619	0.4
407.22141	0.3
408.16510	0.3
413.17368	0.3
415.14963	0.6
415.19800	0.5
416.15414	1.1
416.20810	0.4
417.16202	5.0
417.21136	2.3
418.16669	1.2
418.22690	1.2
419.22446	7.8
420.23148	1.1
430.17172	1.3
431.09784	0.3
431.18185	8.4
432.19086	3.8
433.20160	4.4
435.21881	0.3
444.19330	0.4
445.20200	5.8
446.20978	9.2
447.21686	10.0
448.22382	0.8
457.20355	0.3
458.20480	0.4
459.22769	2.1
460.18958	1.0
461.19562	2.3
462.24341	0.5
463.25665	0.6
473.19479	0.9
473.24011	0.8
474.20389	5.8
475.21066	4.8
476.21564	0.7
477.23721	1.1
478.23471	0.6
487.21365	2.1
488.21832	0.5
490.24286	0.6
491.20300	4.0
501.23120	1.1
505.22485	1.1
506.22742	0.3
517.22491	0.4
518.23077	0.4
519.24060	18.0
520.23920	0.7
529.22516	0.5
532.21637	0.3
547.23376	13.2
548.23688	0.7
551.26294	0.3
561.25269	0.5
575.22925	0.5
579.25916	6.3
580.26447	0.4
607.25476	100.0
608.25641	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	606.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
57.03434	0.5
57.06835	0.2
57.07071	2.2
65.03927	0.7
67.05495	0.5
69.03426	2.5
69.38811	1.5
69.39241	1.0
73.06548	0.5
75.53467	0.2
79.05460	0.5
81.03403	0.8
81.07041	0.6
85.02892	2.4
87.04465	1.5
87.68498	0.2
91.05473	0.4
95.04958	0.4
97.02896	2.0
103.44533	0.2
107.04963	0.2
111.04459	0.3
115.03907	1.8
121.02856	1.3
127.03885	0.3
129.07051	0.3
133.04956	1.9
147.11618	0.3
149.02328	100.0
150.02634	0.7
167.03369	1.4
184.07285	0.3
190.04987	0.7
203.07051	0.5
205.08583	22.4
221.08092	0.8
277.14334	12.1
295.15317	1.8
606.34045	0.3
615.46295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01872	21.8
55.05506	26.3
57.03431	15.0
57.07077	35.2
67.05495	47.9
69.07062	29.9
71.08620	21.3
71.72679	6.7
79.05490	37.7
81.07056	66.1
83.04967	7.2
83.08619	15.7
84.50560	4.7
85.10181	15.5
91.05469	49.0
93.07049	40.0
95.01340	5.1
95.04964	10.8
95.08590	48.7
97.06513	37.4
105.07022	66.2
107.04960	11.8
107.08597	17.0
109.06546	7.5
109.10168	18.9
117.07045	8.0
119.08575	27.0
121.06556	4.4
121.10139	13.4
121.80503	5.0
123.11759	4.8
129.06995	6.0
131.08549	18.1
133.10109	29.7
135.11723	9.9
145.10129	20.0
147.11687	12.6
149.09610	8.3
159.11728	8.2
163.11234	8.0
179.14322	12.1
191.48195	5.3
210.11162	5.0
219.17410	41.6
220.87154	5.5
221.88545	4.5
239.23827	5.7
243.07230	5.1
247.20450	5.4
251.43671	5.2
257.18958	5.9
275.20053	100.0
293.21103	17.1
313.27292	61.7
349.23834	29.3
395.45221	5.8
487.24396	6.7
545.25122	6.6
546.25079	5.9
587.46722	79.0
605.27545	9.3
605.48145	12.4
606.27765	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	605.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.8
53.03928	4.3
55.01865	14.6
55.05507	30.3
55.19946	1.6
56.40939	1.6
57.03414	7.0
57.06813	3.0
57.07073	48.6
65.03934	4.0
66.02575	1.6
67.05501	71.6
69.03423	3.7
69.07064	30.6
69.84217	1.7
69.84558	11.7
71.04973	2.3
71.08627	39.6
71.69987	2.2
79.05485	45.5
81.03410	2.5
81.07050	90.0
82.89188	1.5
83.04962	4.2
83.08618	26.1
85.06516	4.6
85.10178	19.4
85.79605	1.7
91.05471	34.6
93.07042	36.9
95.04942	9.8
95.08601	56.3
97.06518	21.2
97.10166	12.9
99.08112	2.7
105.07017	38.2
107.04937	14.8
107.08586	35.2
109.06524	12.5
109.10149	27.0
111.08061	5.2
111.11717	2.8
115.05389	2.1
117.06990	12.6
119.08563	32.3
121.06480	6.0
121.10130	19.4
123.08048	5.7
123.11690	11.8
125.09580	8.2
129.07014	3.2
131.08551	14.6
133.10124	24.0
135.08047	6.7
135.11682	6.4
137.09581	5.5
137.13206	2.5
139.11107	2.3
143.08517	4.6
145.10121	23.4
147.11676	22.0
149.09601	25.7
149.13254	6.0
151.11162	2.8
155.08556	1.8
157.10088	5.6
159.11647	10.7
161.09631	3.9
161.13239	6.1
163.11185	12.7
165.12726	4.3
169.10136	2.5
171.11671	3.9
173.13297	6.5
177.12733	2.6
179.14441	2.5
183.11662	2.7
189.11171	4.5
193.12152	2.2
193.61176	2.0
197.13164	2.8
206.00008	1.8
215.17906	2.1
227.12793	13.4
229.19508	5.4
239.17914	7.0
239.23683	7.6
247.20590	3.5
257.18964	15.5
275.20050	100.0
293.21097	10.3
313.27353	66.1
313.31067	3.1
331.22586	3.1
349.19626	3.2
349.23737	41.8
491.40225	2.6
587.37811	2.9
587.46576	39.8
588.45813	2.1
605.48035	45.7
606.48352	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	605.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.2
53.03943	15.6
55.01872	12.1
55.05283	2.6
55.05510	37.0
56.77144	2.2
57.03427	13.6
57.07044	2.2
65.03927	9.4
67.05501	75.8
68.99748	2.5
69.03421	21.5
69.07066	24.0
69.70091	14.3
71.01352	4.8
71.04964	6.4
79.05486	75.6
81.03411	83.2
81.07048	100.0
83.04972	16.4
83.08614	21.4
85.02901	16.6
85.06525	7.3
91.05471	72.0
93.07042	64.2
95.04961	57.0
95.08588	31.7
95.99275	2.2
97.02872	16.5
97.06514	10.1
97.10165	15.4
99.04449	6.6
99.08091	3.4
103.03908	4.0
103.05450	6.5
105.03376	2.7
105.04517	2.7
105.07019	48.9
107.04935	23.4
107.08590	38.5
109.02874	24.6
109.06535	14.1
109.10159	13.6
111.04449	14.4
111.08057	5.9
114.83572	2.0
115.05447	7.7
117.07007	22.9
119.04920	8.1
119.08572	23.5
121.02873	4.4
121.06496	16.7
121.10140	17.7
123.04436	13.3
123.08059	4.1
123.11696	8.7
125.02357	7.2
125.09627	10.0
127.03902	8.3
128.06209	4.1
129.06996	19.6
131.03403	2.7
131.04909	14.1
131.08553	24.8
133.06477	15.9
133.10139	21.6
135.04378	4.0
135.08061	8.3
135.11676	12.4
137.05992	4.0
141.06955	6.0
142.07787	3.5
143.08569	9.9
145.05473	2.3
145.06451	14.4
145.10127	14.9
147.04391	11.0
147.07986	10.9
147.11674	19.2
149.05972	8.8
149.09653	6.5
149.13280	13.4
151.11169	3.8
155.08554	7.8
157.06519	8.6
157.10086	11.9
159.08063	7.6
159.11668	12.0
160.05292	2.8
161.05995	10.1
161.09608	7.6
163.11205	9.3
165.05486	2.5
165.06989	2.7
165.12761	8.2
167.08574	6.3
169.06509	5.7
171.08093	9.2
171.11667	4.3
173.04565	4.9
173.06032	7.6
173.09613	4.9
175.07521	4.4
175.11218	9.8
177.05498	3.4
177.12758	7.3
181.10060	3.6
183.08124	4.1
183.11679	4.4
185.06004	3.5
185.09669	3.6
185.13301	5.5
187.07539	6.4
187.11256	3.4
189.05478	11.2
189.09224	2.6
189.11198	6.3
189.12727	3.2
191.06982	2.8
191.10625	3.8
193.12242	15.5
195.11932	3.0
195.13737	11.8
197.09619	3.6
197.13391	2.9
199.07727	3.1
201.12807	4.6
203.14423	3.4
207.08028	3.3
207.13629	2.7
209.09715	2.8
211.13310	6.2
213.09070	4.0
213.12923	2.7
219.13834	3.8
223.13234	5.4
227.12700	4.1
227.26279	2.2
231.13806	4.8
235.13310	4.0
239.14316	3.2
245.15541	2.6
249.14813	3.1
255.13896	6.4
257.15427	4.1
259.13315	6.0
261.14792	3.9
267.15991	11.7
269.17484	27.7
271.13324	5.0
273.14850	26.3
277.14432	3.5
283.13361	5.4
285.14676	4.4
287.16428	2.7
289.14417	5.4
291.15857	5.1
301.14301	35.5
301.17520	3.2
303.15921	7.5
319.15350	15.3
321.16968	3.9
325.18085	3.3
337.16312	6.0
338.86194	2.3
345.16959	4.1
353.19516	3.5
375.18112	9.2
377.19785	4.3
393.19095	11.8
395.20569	2.8
435.25507	4.0
443.27936	2.9
461.28790	6.3
477.26392	3.9
495.27124	4.1
513.14691	2.9
527.30249	4.7
527.64984	2.6
541.31714	5.3
545.31250	3.9
551.29950	9.5
557.31146	7.8
569.31073	39.0
587.32233	37.3
605.33130	78.1
606.33710	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	605.113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01163	0.5
55.01865	1.3
55.05242	0.8
55.05507	12.9
64.33322	0.6
65.25198	0.7
67.05502	2.6
69.03406	1.3
71.04971	1.4
71.71735	1.0
79.05470	1.2
81.03407	4.5
81.07040	2.8
81.63017	0.6
83.04974	100.0
83.08606	0.7
84.05317	1.2
85.02909	2.2
91.05473	2.6
93.07033	2.1
95.04960	1.4
95.08611	1.7
101.06001	1.3
105.07003	2.0
107.04934	1.1
109.10146	1.1
111.04436	39.5
115.05370	0.7
121.10179	1.0
123.08095	0.8
127.03873	0.8
129.05478	11.1
131.08592	0.7
135.08049	0.7
139.03917	2.1
145.06612	0.7
147.11690	0.9
153.01811	0.7
153.05449	7.4
155.08566	0.7
157.10201	0.7
163.03955	0.8
173.04451	2.0
183.02914	1.8
189.05298	0.8
195.06638	1.5
205.04964	0.9
214.70888	0.6
216.62733	0.7
228.46312	0.6
245.86258	0.7
301.14322	1.3
303.05066	1.2
315.05136	0.8
332.29178	0.7
353.06464	1.0
587.31763	0.9
605.33057	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01860	2.7
55.05507	15.7
57.07070	24.0
67.05202	3.4
67.05503	24.9
69.03410	8.5
69.07059	20.8
69.48254	9.3
69.48688	7.4
71.04950	1.8
71.08623	18.4
79.05489	14.3
81.03422	3.7
81.07048	23.3
81.14523	1.7
83.04965	3.3
83.05423	1.8
83.08615	10.2
85.06520	2.4
85.10168	6.0
85.52193	1.5
91.05476	15.8
93.07040	11.3
94.41033	1.7
95.04965	7.9
95.08595	19.6
95.09135	2.1
97.02891	7.8
97.06538	2.6
97.10163	7.1
100.96366	1.9
105.07037	7.4
107.04972	5.8
107.08598	8.6
109.06495	2.8
109.10141	14.1
117.07031	6.6
118.85829	1.9
119.08564	9.5
121.10156	4.0
123.08086	2.7
123.11717	3.0
125.09658	3.8
131.08583	6.2
133.10150	3.0
135.08047	2.5
137.09639	3.7
143.08595	3.2
145.10114	4.5
147.08041	2.8
147.11703	2.7
157.10085	2.0
159.11745	2.8
161.09616	4.2
175.11226	2.6
177.12772	2.5
189.11198	2.3
210.76961	1.7
223.13301	14.7
227.12929	1.8
228.85684	1.6
232.22908	1.6
239.23723	3.7
245.18959	2.3
273.18448	21.1
291.19501	99.2
292.19998	3.1
313.27438	6.9
347.22037	3.8
365.23172	2.4
385.90692	1.8
387.35904	1.8
535.40424	2.0
603.46173	100.0
604.46497	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	603.3156
Annotation	trapoxin A
Peak:m/z	Relative Intensity
51.62830	2.4
53.03931	6.5
55.01863	12.8
55.05272	2.6
55.05513	32.7
57.03433	13.5
58.58177	2.1
64.84604	1.9
67.05499	47.0
69.03418	9.9
69.07064	15.5
69.58403	19.5
70.16152	2.1
71.04980	6.1
73.02883	2.4
77.03916	2.6
78.72173	2.3
79.05488	47.3
81.03409	61.0
81.07046	50.4
83.04990	13.8
83.08618	23.9
85.02900	29.8
85.06517	3.3
85.65992	2.2
91.05476	57.1
93.07028	31.9
95.01336	3.1
95.04959	59.1
95.08585	18.7
96.89893	2.5
97.02850	5.1
97.06512	3.8
97.10166	20.4
98.21458	4.0
101.25682	2.2
103.05456	7.9
105.07016	35.2
107.04940	17.4
107.08570	15.3
109.02860	14.2
109.06519	6.0
109.09496	1.8
109.10134	11.1
111.04422	10.5
111.08080	7.6
115.05431	10.2
117.07002	18.6
118.23671	2.1
119.04915	9.7
119.08558	20.6
121.02884	9.9
121.06499	12.5
121.10144	11.1
123.04430	6.8
123.08041	8.4
123.11691	4.4
125.09612	10.8
127.03970	2.3
128.06212	5.8
129.06989	21.3
131.04897	19.0
131.08574	16.3
133.06474	15.8
133.10130	13.2
134.18315	2.2
135.04401	4.2
135.08037	9.0
135.11696	6.1
137.02327	4.0
137.05930	4.5
137.09616	2.2
139.03914	3.6
141.07021	9.7
142.07806	2.8
143.08508	10.0
145.06505	22.1
145.10106	10.6
147.04390	10.5
147.08035	9.2
147.11681	12.4
149.05946	6.8
149.09625	6.6
151.03899	3.3
153.09076	2.0
153.12730	2.7
154.07664	2.5
155.08556	8.5
157.06490	13.8
157.10135	11.2
158.07367	2.2
159.04431	3.4
159.08044	13.8
159.11627	2.4
160.05179	4.6
161.05951	20.2
161.09666	6.0
163.11118	13.0
167.08614	5.3
169.06525	5.2
169.10104	4.7
171.08063	7.8
171.11703	3.0
173.05968	35.7
173.09647	6.7
174.06761	10.1
175.03909	3.5
175.07547	6.4
175.11136	9.8
177.05524	4.5
179.08557	3.0
181.06456	3.2
181.12202	3.4
183.08022	8.0
183.11670	2.6
185.05963	5.1
185.09644	5.0
186.06822	4.8
187.07523	19.2
187.11183	4.3
189.05469	22.5
189.09148	4.8
189.11206	8.1
189.12759	3.0
190.06287	2.4
191.07007	2.5
191.10672	3.7
193.12207	22.8
195.08092	5.8
195.11667	2.4
197.06026	4.3
199.07599	2.9
200.08322	3.8
201.05449	4.7
201.09143	4.5
203.07050	3.2
203.10680	4.6
205.10266	2.3
205.12177	2.9
207.11682	3.2
209.09557	2.4
211.07480	3.2
211.11348	3.4
211.13316	17.8
212.06116	2.2
213.09119	3.5
213.12682	3.2
223.11266	2.7
223.13203	2.6
223.51476	2.1
227.12717	8.4
227.14613	3.9
231.13901	2.6
237.12836	2.7
239.14397	2.6
241.12291	4.1
243.13791	2.9
245.15416	4.8
247.13303	3.6
255.13585	11.0
257.15323	5.8
259.13354	4.5
267.15997	8.3
271.13281	2.7
273.14825	25.6
283.13132	19.2
285.14798	11.4
285.17566	11.5
289.14426	5.8
297.14935	3.3
299.16293	2.5
301.14288	83.2
303.16052	4.2
313.17691	2.9
315.15839	6.9
319.15326	13.0
323.16519	4.2
339.16064	3.5
341.17618	13.8
343.15225	10.6
345.17151	2.2
357.17148	4.7
361.16336	3.3
375.17981	26.0
383.67572	2.1
393.19135	5.1
417.19028	3.0
457.23947	2.6
475.25021	6.0
493.25705	10.3
511.26785	11.5
529.27765	2.6
539.29889	3.7
543.29596	10.5
549.28363	3.6
555.29053	4.4
557.31067	2.9
567.29504	24.7
573.30444	18.1
585.21112	5.0
585.30530	100.0
603.31580	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
51.88953	0.2
55.01862	0.2
57.77025	0.2
69.03423	0.3
69.49285	1.6
79.01842	1.9
97.02876	0.8
98.07150	0.5
107.01295	0.3
118.02338	0.2
119.89725	0.2
125.02341	2.0
143.03395	3.9
153.01816	100.0
153.86800	0.2
154.02182	0.7
166.62811	0.2
167.07021	0.5
195.02884	0.3
205.04936	0.3
207.02841	0.4
237.03926	0.8
267.05222	0.3
285.06030	11.2
319.04465	1.3
331.04459	0.3
343.04303	0.3
411.16992	0.4
415.06964	0.2
451.08673	0.3
543.21155	1.5
632.94421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3156
Annotation	trapoxin A
Peak:m/z	Relative Intensity
51.02135	1.6
51.02364	2.7
53.03936	7.8
55.01868	16.5
55.05506	32.5
56.57397	1.3
57.03428	16.3
62.53146	1.4
67.05138	2.7
67.05493	44.6
69.03414	8.7
69.07061	15.4
71.01332	3.6
71.05000	8.7
71.72943	2.0
74.64516	1.5
79.05484	48.8
79.51468	1.2
80.21236	1.3
81.03407	80.0
81.07043	48.7
83.04967	19.8
83.08607	24.8
84.61497	1.3
85.02895	34.7
85.06493	2.5
90.91507	1.4
91.05470	58.8
93.03426	1.3
93.07030	34.7
95.01324	1.4
95.04958	63.3
95.08586	16.7
97.02855	7.2
97.06505	7.9
97.10171	14.3
99.04448	2.8
103.05437	7.0
105.03345	1.8
105.04531	2.7
105.07017	42.7
107.04951	24.1
107.07922	1.8
107.08585	22.2
109.02866	20.6
109.06512	9.9
109.10158	9.9
111.04424	15.8
111.08056	9.7
113.05963	2.2
115.05447	12.5
116.06242	2.0
117.06998	20.4
119.04945	9.7
119.08556	26.5
121.02856	10.5
121.06491	17.8
121.10113	13.0
123.04405	6.1
123.08057	5.2
123.11697	2.6
125.02381	2.1
125.09586	11.5
127.03891	2.8
128.06169	7.1
129.06995	24.6
131.04918	18.4
131.08539	23.0
132.05705	1.7
133.06480	17.8
133.10112	11.8
135.04437	4.0
135.08028	7.5
135.11684	7.4
137.02350	6.0
137.05968	5.1
139.03897	4.1
141.06992	7.1
142.07751	3.7
143.04897	1.8
143.08540	9.6
144.05684	1.9
145.06471	23.2
145.10098	8.1
147.04420	14.2
147.08029	9.5
147.11678	16.2
149.05948	10.4
149.09578	8.1
151.03865	2.7
153.07034	3.0
153.09143	3.3
153.12753	3.8
154.07820	1.8
155.08539	5.2
157.06470	10.2
157.10078	14.0
159.04433	3.5
159.08029	11.8
159.11699	2.6
160.05171	5.4
161.05959	25.0
161.09586	6.4
163.03886	2.6
163.07513	2.3
163.11174	14.6
165.05557	1.9
165.06950	3.6
165.12773	3.6
167.08588	5.0
169.06471	4.9
169.10062	3.8
171.04419	4.0
171.08047	10.0
171.10190	1.8
171.11713	4.3
173.05966	32.6
173.09555	7.9
174.06761	9.6
175.03870	4.1
175.07541	7.2
175.11192	13.9
177.05440	3.8
177.12747	2.6
179.08435	2.1
181.10051	1.9
181.12239	5.0
183.08075	3.9
183.11726	2.7
185.05956	5.5
185.09596	5.6
185.13177	2.3
186.06754	2.9
187.07523	15.2
187.11133	2.2
189.05446	25.9
189.09140	4.5
189.11212	7.2
189.12772	2.5
190.06291	2.1
191.07040	2.6
191.10687	5.8
193.10376	2.7
193.12216	37.2
195.08047	2.4
197.05951	2.0
197.09599	2.9
199.07553	5.5
200.08417	1.9
201.05527	3.4
201.09189	3.9
203.06931	3.4
203.10606	3.5
209.09537	2.1
209.11551	2.8
209.13365	2.6
211.11333	2.5
211.13246	43.7
211.15141	3.2
213.09079	3.5
213.12811	2.9
223.11171	2.3
225.12762	1.7
227.12543	9.8
229.12294	1.8
231.13689	3.2
237.12708	3.4
239.10834	2.3
241.12152	1.8
243.13904	2.4
245.15317	3.3
247.13274	2.1
255.13741	11.3
257.15411	6.5
259.13364	1.8
265.12317	4.2
265.81195	1.4
267.15891	12.8
271.13315	2.4
273.14828	28.1
273.17615	1.9
277.14435	2.5
283.13150	18.7
285.14740	9.9
285.17474	16.9
289.14279	9.7
291.15759	2.6
291.25558	1.5
297.14865	2.3
299.16248	1.7
301.14282	95.2
303.15775	8.6
315.15778	2.7
319.15381	17.1
323.16458	2.6
339.15988	2.8
341.17508	6.1
357.17188	7.4
359.18524	2.8
375.18015	26.4
393.19043	7.6
433.23709	1.6
447.25146	2.2
459.27164	1.8
465.26276	3.6
471.27408	1.6
475.24661	5.6
477.28445	3.1
483.27893	2.1
493.25919	4.3
511.26755	6.8
529.27368	3.4
543.29468	3.8
555.29492	2.3
557.30975	2.2
567.29675	11.0
573.30463	21.7
585.30548	91.1
586.30682	2.0
603.31555	100.0
604.31927	2.8
607.33563	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.8
53.37087	0.6
55.01865	0.6
69.03428	11.0
69.60927	5.0
78.30853	0.5
79.01847	2.9
91.05462	0.6
94.12741	0.5
97.02883	21.6
98.20688	0.5
100.68150	0.5
103.05484	0.8
107.04953	1.5
108.05289	1.1
115.03903	6.4
119.04920	1.8
125.02364	3.2
131.04907	2.8
133.02782	0.7
143.03392	6.5
147.04416	3.2
147.77098	0.5
151.03876	1.0
153.01820	100.0
154.02107	0.6
159.03233	0.7
159.04398	4.4
163.03844	2.7
165.05453	1.8
175.03961	3.1
177.05478	3.2
179.03374	7.2
181.01253	0.8
191.03395	1.1
193.04950	3.9
203.03441	1.3
205.04942	18.6
207.02882	19.8
209.04538	0.9
221.04456	7.4
223.02367	1.2
231.02924	4.8
237.03914	2.0
249.03954	11.2
267.04984	38.3
285.06042	11.9
290.11646	0.6
294.16434	0.5
319.04318	3.3
331.04605	0.7
343.04538	1.1
361.05307	0.6
385.97388	0.6
415.06686	0.8
433.07346	1.0
451.08429	1.3
556.16809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00348	0.5
55.05506	0.4
57.07074	5.4
58.06588	2.1
65.03938	0.9
67.05492	1.4
69.03398	0.7
69.07063	0.7
70.06586	21.4
70.90948	0.8
70.91291	0.9
71.08630	4.4
75.39712	0.5
77.23693	0.5
78.02644	0.4
79.05481	1.1
81.03409	0.7
81.07063	0.7
88.07624	24.6
91.05465	1.4
102.09178	14.2
107.08559	0.6
107.70393	0.5
109.10204	0.6
121.02867	0.6
131.04918	0.6
147.04434	0.7
149.02335	38.5
156.17505	1.0
175.03912	1.4
177.05464	1.0
183.44679	0.5
186.41176	0.5
193.04959	47.9
200.20084	56.0
201.20497	1.0
218.35886	0.4
219.06575	1.6
221.90895	0.5
225.05423	0.9
229.14259	0.6
237.07574	12.0
244.22737	1.1
246.49149	0.5
255.13228	0.7
269.04507	1.7
297.03934	2.0
313.07083	1.9
341.06543	10.3
343.08304	0.8
359.07614	6.8
374.80957	0.5
385.09143	18.5
385.13910	1.1
429.11792	31.0
430.12238	0.6
584.28204	2.5
602.29553	100.0
603.29828	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.6
55.01857	3.2
55.05510	30.2
57.07066	35.5
59.04986	6.1
65.03926	5.1
67.05495	37.4
69.03408	15.2
69.07062	28.6
71.04984	4.8
71.08614	10.2
71.72769	3.6
71.73190	3.7
77.91418	3.0
79.05488	35.3
81.03407	62.7
81.07051	49.8
83.04979	17.2
83.08579	16.8
85.06522	6.9
85.10172	9.7
87.04475	5.8
89.06010	10.4
91.05469	75.9
91.94713	3.3
93.06515	5.9
93.07040	73.8
94.07361	3.9
95.04971	26.8
95.08591	45.9
97.06522	12.7
103.05447	6.9
105.06353	5.7
105.07024	100.0
107.04965	8.0
107.08586	63.7
109.02808	3.4
109.06497	14.4
109.10146	36.8
111.08093	8.3
113.09641	4.7
115.05415	12.7
116.06236	7.4
117.07012	21.9
119.08572	82.0
121.06505	14.1
121.09273	5.5
121.10135	67.6
123.08094	17.2
123.11708	10.0
125.05910	3.6
125.09619	13.3
128.06190	15.1
129.07016	22.6
130.07776	7.4
131.04913	10.8
131.08572	41.5
133.06459	4.1
133.08592	6.9
133.10123	52.4
135.08022	15.1
135.11673	16.3
137.06009	4.1
137.09570	10.7
139.11151	5.7
139.86777	4.3
141.06972	8.2
142.07794	19.4
143.08553	45.4
144.09280	10.3
145.10095	56.1
146.10400	5.7
147.04393	5.9
147.08023	18.6
147.11646	18.4
149.09561	17.4
151.07523	10.2
151.11218	4.8
155.06046	3.9
155.08551	15.1
156.09305	12.8
157.10101	53.1
158.10762	7.3
159.04437	4.9
159.08031	16.1
159.11702	37.7
160.05159	10.4
160.12103	3.7
161.05945	24.2
161.09604	19.5
161.13283	8.8
163.11179	11.2
165.06882	6.1
165.09116	20.1
166.07671	4.2
167.08501	15.2
167.10672	40.1
168.09370	5.7
168.11012	4.6
169.10112	24.6
170.10857	9.7
171.08052	6.5
171.11656	27.0
173.06026	16.8
173.09541	10.1
173.13226	19.5
175.11180	11.5
175.14824	13.4
176.11653	4.0
179.08565	9.4
181.10114	13.1
181.12273	10.1
182.10831	5.6
183.11694	27.7
185.09587	5.8
185.13216	16.6
187.07509	6.7
187.11130	4.6
187.14807	10.1
189.09166	3.5
189.12799	6.2
189.62134	4.0
191.14310	4.9
193.10173	8.7
193.11960	3.8
194.10971	7.0
195.11732	19.7
196.12395	7.1
197.13255	22.2
199.11128	5.6
199.14787	8.9
201.12694	5.9
203.10660	8.6
203.14304	9.4
207.11652	12.6
207.13660	3.5
208.12299	7.0
209.13219	21.0
209.15135	6.8
211.11165	5.6
211.14796	12.1
212.15138	4.0
213.12744	5.6
213.16347	4.2
219.11691	6.9
221.13252	10.6
221.15347	45.9
223.14851	10.5
225.12628	4.0
225.16533	8.8
233.13245	6.4
233.15378	15.2
234.15933	4.2
235.14793	9.9
236.15480	4.1
237.16263	4.5
239.17784	4.7
243.13776	8.6
245.13171	6.3
247.14883	6.8
251.17758	6.5
255.17395	6.1
257.15417	5.8
259.14767	6.4
261.16306	5.8
265.19473	5.0
269.18842	6.9
271.13141	20.5
281.19107	5.6
283.20377	4.1
289.14200	9.2
301.21463	4.1
313.27298	23.0
345.17105	7.7
355.08032	13.5
491.35266	6.7
508.80621	3.9
516.12054	3.6
550.08752	3.6
583.40735	15.3
601.41321	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	4.2
53.03935	5.8
55.05265	2.7
55.05509	23.3
57.07073	11.4
59.04990	3.7
60.84019	1.9
65.03938	7.0
67.05500	36.3
69.03425	15.4
69.07065	25.6
70.98067	2.4
70.98383	4.4
71.04979	4.4
71.08603	2.2
76.34521	1.9
77.03941	1.9
79.05486	36.4
81.07052	58.3
83.04977	22.3
83.08613	16.8
85.06533	7.2
87.04453	5.2
91.05472	62.6
93.07038	80.0
94.07358	2.7
95.04964	23.2
95.08597	44.1
97.06523	16.6
97.10171	2.4
103.05435	3.4
105.04517	2.2
105.07024	100.0
106.07320	4.9
107.04945	2.0
107.08590	70.0
108.08927	3.2
109.06509	18.0
109.10150	32.1
110.22771	1.9
111.04432	2.4
111.08069	5.5
111.11674	3.0
113.09637	5.0
114.00395	1.9
115.05443	6.3
116.06247	3.2
117.07013	20.7
117.82093	1.9
119.04907	2.0
119.08575	92.7
120.08903	7.1
121.06519	12.2
121.09262	4.7
121.10133	82.2
122.10426	2.5
123.08074	18.1
123.11694	10.6
125.05936	3.7
125.09621	15.5
127.07535	3.9
128.06195	10.7
129.07021	20.0
130.07809	10.1
131.08557	46.6
133.06447	5.7
133.07465	2.1
133.10123	61.0
134.10481	2.4
135.08041	17.2
135.11687	19.9
136.08359	2.3
137.09587	12.3
139.11143	5.7
141.06949	11.2
142.07764	25.6
143.08554	48.8
144.09387	10.3
145.06494	3.5
145.10123	67.1
146.07228	3.4
146.10490	6.0
147.08043	12.9
147.11697	23.5
148.11974	2.5
149.09619	15.9
149.13260	4.7
150.09940	2.4
151.07530	7.3
151.11168	2.4
152.33510	2.0
153.07034	5.4
153.09067	2.9
154.07765	3.9
155.08537	18.7
155.10640	7.4
156.09309	20.3
157.10127	57.3
158.10728	9.5
159.08058	16.3
159.11676	39.8
160.12143	2.6
161.09648	15.1
161.13260	10.5
163.11177	9.3
165.06990	8.1
165.09109	8.0
166.07802	4.0
167.08524	8.0
167.10667	58.2
168.09312	7.2
169.10100	30.2
170.10953	9.8
171.11676	39.6
172.08807	3.3
172.12068	4.8
173.09612	8.2
173.13237	26.8
175.11153	13.5
175.14850	11.9
178.07747	2.4
179.08521	14.9
180.09398	5.2
181.10092	21.1
181.12183	5.2
182.10847	10.0
183.11670	25.3
184.12247	5.4
185.09532	4.0
185.13261	17.0
187.11147	8.9
187.14751	9.8
189.12759	8.3
189.16354	2.5
191.08611	2.8
191.14319	5.2
192.09328	5.6
193.10146	16.0
194.10881	8.7
195.06535	20.0
195.11697	24.9
196.12379	9.2
197.13275	25.6
198.10165	3.3
198.13847	5.6
199.11195	6.8
199.14806	15.5
200.11842	2.1
201.12740	7.2
201.16371	5.4
203.14319	7.2
205.10155	3.9
206.10815	6.4
207.11699	13.5
207.13582	3.3
208.12474	9.3
209.09685	2.7
209.13277	26.1
209.15228	3.5
210.13919	5.9
211.11079	3.2
211.14780	20.0
212.15489	2.6
213.07581	8.4
213.12749	6.0
213.16345	5.2
215.14323	6.7
217.15739	5.1
218.10947	2.5
219.11610	5.6
220.12350	5.4
221.13231	15.9
221.15382	24.0
222.13841	4.6
222.15904	3.8
223.14766	17.3
224.15228	4.1
225.12799	3.1
225.16328	10.6
226.16846	3.0
227.14352	6.6
229.15947	3.3
231.11594	3.9
232.12491	2.8
233.13240	7.6
233.15366	28.1
234.13753	3.7
234.15906	4.7
235.14752	8.6
237.12784	2.5
237.16364	8.6
239.18019	6.0
241.15897	2.4
243.17392	2.7
245.13103	5.6
246.13748	3.1
247.14676	6.0
248.15518	3.0
249.16380	5.8
250.17229	2.3
251.17877	7.3
255.17393	7.5
256.17859	6.9
257.19009	2.4
259.14789	5.2
261.16336	5.9
262.16705	2.4
263.17899	6.5
265.19473	5.3
269.18979	8.7
272.15485	2.8
273.16098	3.6
273.18671	4.3
275.17606	4.1
277.19394	2.2
281.19043	5.2
283.20529	3.9
285.18558	4.1
286.19089	2.4
287.20227	4.0
293.18909	3.2
295.20291	4.8
297.22174	3.5
299.12781	25.4
299.20099	6.9
300.13171	3.0
300.20786	3.0
301.21768	3.9
329.22549	3.2
331.24310	2.4
343.24402	2.1
353.24603	3.5
366.25092	2.6
367.26172	3.4
384.26245	2.1
391.22668	4.9
503.34860	2.2
509.34756	2.8
518.90991	2.0
526.59625	1.9
565.40546	4.6
583.41431	9.1
601.42511	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	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45738	2.1
53.03935	4.6
55.05508	24.9
57.07074	14.5
58.13024	2.3
59.04982	7.0
65.03934	3.2
67.05505	30.7
69.03426	19.2
69.07053	23.1
79.05100	3.4
79.05486	37.3
80.05807	3.4
81.03415	3.9
81.07052	51.3
81.75880	2.6
83.04978	19.2
83.08603	16.5
85.06538	5.8
91.05469	59.2
92.05793	4.1
93.07037	87.3
94.07346	3.8
95.04957	28.0
95.08601	48.8
96.05273	2.5
97.06517	13.2
103.05466	4.8
105.04530	2.8
105.07019	100.0
106.07317	5.8
107.04942	4.1
107.08586	71.7
108.08918	4.4
109.06495	22.2
109.10142	28.1
111.08072	5.1
115.05429	8.1
116.06213	3.6
117.07034	22.8
119.08571	94.7
120.08893	5.7
121.06541	15.3
121.07310	3.4
121.10136	77.1
122.10456	4.3
123.08070	24.6
123.11692	8.8
125.05936	4.9
125.09612	12.2
128.06200	12.6
129.06990	23.6
130.07753	8.1
131.08557	45.5
132.08922	4.1
133.06497	5.1
133.09209	4.2
133.10126	61.0
134.10495	4.2
135.08028	20.2
135.11694	19.3
137.05969	3.1
137.09618	18.0
139.11191	4.8
141.06966	8.9
142.07785	23.0
143.08556	48.3
144.09192	8.9
145.06476	4.3
145.10114	74.0
146.10434	6.5
147.08038	27.2
147.11633	22.5
148.08395	3.7
149.09612	21.3
149.13277	4.3
150.10013	3.1
151.07526	16.3
151.11133	5.0
152.07851	3.5
153.07005	4.7
153.09036	3.3
154.07742	5.3
155.08559	19.0
156.09355	17.8
157.10121	62.9
158.10506	13.1
159.08047	18.0
159.11705	42.1
160.12103	7.8
161.09599	16.1
161.13200	10.9
163.11156	20.5
165.06967	6.1
165.09120	44.6
166.07779	4.3
166.09435	5.4
167.08508	8.1
167.10675	39.6
168.09354	7.4
169.10127	29.3
170.10863	10.2
171.08066	4.1
171.11682	35.7
172.12259	4.0
173.09599	7.5
173.13237	23.2
174.10138	2.5
175.11182	16.6
175.14804	11.5
177.09032	5.2
177.12746	3.2
179.08521	9.0
179.10622	4.4
181.10092	17.2
181.12250	14.6
182.10872	10.7
182.12379	2.5
183.11668	32.8
184.12277	5.2
185.09560	6.9
185.13225	24.9
186.10069	2.6
186.13890	2.3
187.11179	9.1
187.14796	9.7
188.11588	3.4
189.12758	12.6
190.13486	3.8
191.14195	8.0
192.09224	5.2
193.10123	11.5
193.12190	3.3
194.10791	5.9
195.11700	26.3
196.12331	10.7
197.09560	5.0
197.13272	22.0
198.13716	3.9
199.11224	5.8
199.14841	17.3
201.12740	7.3
203.14310	19.3
205.10115	4.1
205.15854	3.9
206.10921	5.7
207.11671	14.2
207.13814	8.8
208.12375	8.1
208.14282	3.6
209.13234	21.3
209.15277	6.9
210.13919	7.5
211.11206	3.6
211.14813	16.1
212.15535	3.4
213.12689	4.5
213.16357	9.0
215.14221	7.2
217.15726	4.7
219.11618	6.0
220.12335	6.5
221.13199	13.4
221.15298	90.1
222.13852	6.4
222.15736	10.8
223.14641	11.7
224.15440	3.3
225.12747	4.2
225.16364	8.5
227.14256	6.1
229.87076	2.6
233.13217	5.8
233.15317	20.2
234.13799	5.7
234.15958	6.3
235.14723	12.3
235.16852	4.4
236.15480	5.2
237.14760	8.7
237.16743	4.6
238.15030	4.4
239.14246	3.3
239.17911	5.9
245.13161	4.8
246.14069	5.2
247.14749	7.1
249.16365	7.8
251.17932	3.7
253.19429	3.1
255.17383	6.0
256.17880	3.7
257.18863	3.2
259.14758	3.5
260.15558	3.4
261.16370	7.5
263.17929	5.0
265.19495	4.5
267.17322	6.4
269.19016	3.0
275.17719	3.5
277.19312	4.2
279.21127	3.2
281.18958	3.6
283.20566	7.8
286.19214	5.1
287.19940	11.2
294.19702	3.3
295.20291	6.1
298.18851	3.1
299.20038	4.7
300.20511	5.9
301.21747	6.7
303.19482	9.3
304.19815	8.6
311.20035	5.3
312.20761	4.2
313.21628	4.8
325.21481	7.1
331.23993	2.9
349.25168	6.3
352.23849	17.1
353.24265	24.0
361.25412	3.9
366.24796	4.6
367.26218	8.2
373.03455	2.7
375.26392	3.5
379.26050	4.4
491.35162	3.3
503.34763	5.2
508.34891	3.0
509.35770	4.6
516.92133	2.9
520.34515	3.4
521.35864	16.2
565.39929	5.5
583.41693	15.7
601.42505	54.8
614.64740	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	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01859	3.0
55.05511	18.4
57.07074	11.7
59.02232	2.2
59.04992	4.5
65.03938	3.9
67.05489	28.3
69.03424	15.6
69.07059	25.2
71.18468	5.4
79.05486	27.4
81.03411	10.2
81.07053	40.4
82.07360	2.5
83.04964	18.4
83.08603	12.5
85.06552	5.7
87.04477	2.2
91.05471	52.5
93.06442	3.6
93.07030	72.8
94.07354	3.6
95.04957	23.7
95.08592	40.1
97.06519	8.1
103.05455	4.2
105.07019	100.0
106.07326	5.1
107.04929	3.6
107.08580	63.5
108.08907	3.0
109.06506	18.9
109.10145	23.0
111.08070	4.2
111.11686	2.5
113.09650	3.4
115.05466	7.8
117.07005	18.0
118.07333	2.1
119.04918	2.7
119.08562	77.5
119.09418	3.9
120.08880	6.1
121.06499	10.9
121.10128	62.0
122.10421	2.8
123.08053	20.6
123.11697	7.3
125.05991	5.2
125.09569	11.7
128.06212	10.1
129.07001	19.0
130.07765	8.4
131.08557	38.5
132.08917	4.9
133.06473	4.9
133.10123	46.1
134.10443	3.4
135.08037	22.0
135.11676	14.1
137.05968	3.4
137.09602	12.4
139.11185	3.6
141.06981	9.3
142.07750	21.7
143.08568	35.8
144.09242	7.9
145.06503	3.0
145.10101	56.3
146.07315	2.4
146.10526	7.1
147.08044	20.3
147.11673	27.5
149.09619	13.7
149.13298	2.8
151.07527	14.7
151.11171	2.5
153.09030	2.9
154.07809	3.6
155.08507	16.8
156.09325	13.7
157.10120	59.1
158.10762	10.4
159.08060	16.0
159.11681	36.2
160.12074	2.0
161.05908	4.9
161.09602	19.2
161.13197	7.7
163.11122	14.4
165.06938	7.1
165.09088	40.4
166.09467	4.1
167.08546	6.5
167.10670	42.4
168.09279	6.4
168.10953	4.0
169.10081	27.6
170.10922	11.0
171.11655	30.5
172.08871	4.6
172.12146	3.9
173.05977	4.0
173.09590	6.1
173.13245	15.9
174.10243	2.5
175.11150	12.4
175.14795	9.3
177.12686	2.8
179.08505	9.3
180.09311	4.0
181.10127	14.2
181.12190	15.2
182.10922	11.9
182.12341	2.5
183.11652	24.0
184.12148	4.6
185.09601	6.6
185.13208	23.6
186.13640	4.1
187.07541	2.8
187.11111	6.9
187.14771	8.7
189.12717	11.1
190.13408	2.9
191.14240	6.2
192.09267	4.3
193.10132	12.0
193.12093	4.7
194.10825	8.7
195.08009	2.5
195.11682	18.4
195.13481	3.1
196.12335	7.2
197.09538	2.6
197.13231	20.0
198.10315	2.7
198.13739	4.1
199.11119	6.0
199.14746	10.9
201.12708	7.0
203.14265	23.5
204.14609	2.8
204.74159	2.2
206.10852	4.3
207.11662	12.1
207.13803	8.3
208.12332	6.0
208.14284	3.0
209.13211	22.5
209.15259	6.6
210.13899	5.0
211.11067	3.4
211.14803	13.7
212.15326	3.3
213.12662	5.9
213.16377	7.1
215.14191	4.4
215.60318	2.4
217.15807	5.3
219.11664	4.2
220.12296	4.3
221.13200	13.6
221.15297	78.7
222.15686	15.3
223.14763	9.6
224.15251	4.4
225.12762	2.3
225.16399	6.0
227.14233	5.9
232.12306	2.9
233.13216	5.4
233.15311	24.3
234.15808	4.2
235.14821	9.8
235.16902	3.9
237.12671	4.7
237.14737	7.1
237.16695	4.0
238.15154	5.3
239.17888	3.6
241.15784	3.4
245.13278	3.3
245.19066	2.5
246.13913	3.0
247.14738	6.8
247.17033	4.8
248.13991	2.6
249.16393	5.0
249.58237	2.5
251.14055	2.2
251.17981	4.5
253.15845	4.8
255.17375	6.0
256.17838	3.1
257.18887	2.7
259.14609	2.9
260.15289	3.8
261.16296	6.3
263.17862	3.9
265.19379	3.7
267.17419	3.8
269.19220	4.8
271.13062	3.3
271.17056	2.7
271.20248	3.5
273.18689	3.0
274.19299	3.3
275.19980	3.9
276.18311	2.5
277.19427	5.1
281.18961	3.3
283.20547	6.6
286.19196	3.0
287.19980	8.9
289.19217	3.3
293.19171	3.1
295.20593	4.8
299.20120	5.0
300.20709	4.7
301.21494	7.9
303.19580	9.5
304.19803	7.4
311.19907	2.5
312.20920	4.7
313.21396	5.3
313.27377	3.0
315.21078	3.6
325.21512	4.0
326.22101	4.7
338.21896	3.3
349.25327	4.1
352.23956	17.0
353.24323	20.5
365.24747	5.3
366.24875	6.5
367.26016	5.3
379.26288	2.7
393.27887	3.0
488.32675	3.0
491.34906	2.9
503.34949	4.5
508.34735	2.5
509.35358	5.2
521.35791	11.8
565.40295	6.6
583.41229	15.1
601.42352	54.8
602.42133	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	601.423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01564	1.7
53.03940	4.3
55.05507	11.5
55.69471	1.8
56.35564	1.6
57.07067	14.9
59.04993	3.2
65.03942	3.3
67.05493	17.8
69.03415	13.3
69.07058	7.9
71.04991	1.9
79.05486	23.5
81.07048	31.8
83.04979	6.0
83.08620	4.2
85.06533	5.7
88.67410	1.9
91.05468	27.5
93.07036	51.6
93.07605	3.7
95.04969	11.2
95.08597	27.1
96.83568	1.6
97.06537	5.1
103.05438	2.8
105.07018	57.9
106.07316	3.4
107.08572	30.0
109.06497	16.2
109.10173	16.2
111.08090	2.2
115.05430	4.4
117.07021	14.0
119.08569	62.5
120.08936	6.0
121.06486	6.6
121.10143	27.2
123.08047	22.8
123.11684	3.9
124.73817	2.2
125.05979	5.4
128.06229	6.3
129.06984	10.9
130.07750	6.4
131.08560	27.6
133.06480	1.9
133.10114	32.9
135.08043	20.9
135.11694	8.0
137.09596	19.0
139.07530	2.7
141.06961	3.9
142.07750	11.4
143.08563	22.0
144.09291	6.5
145.06482	2.3
145.10126	38.6
146.10492	5.1
147.08034	33.0
147.11716	7.6
148.08391	2.6
149.09575	8.9
151.07504	19.9
151.11137	2.2
152.07813	2.5
155.08542	10.7
156.09329	9.6
157.10104	28.0
158.10643	5.9
159.08044	5.5
159.11662	21.8
160.08682	2.3
160.12108	2.6
161.09596	8.1
161.13249	8.6
163.11188	12.1
165.07031	2.7
165.09093	51.2
166.07947	2.2
166.09441	5.7
167.08578	5.6
168.09384	2.7
169.10080	13.6
170.10803	6.5
171.11705	16.2
172.12149	2.5
173.09630	5.4
173.13298	12.5
175.11176	7.2
175.14832	4.7
177.09129	4.5
179.08614	3.3
180.09224	2.0
181.10129	5.7
181.12251	8.5
182.10918	3.3
183.11700	19.0
184.12276	1.9
185.09546	2.6
185.13234	9.7
187.11227	3.5
187.14801	5.4
188.11801	2.0
189.12639	8.6
191.14253	3.8
193.10130	6.1
193.12241	5.4
194.10866	4.8
195.11732	11.9
195.13318	2.0
196.12390	3.9
197.13293	10.2
199.11142	3.3
199.14861	3.9
200.11874	2.1
201.12766	3.8
203.14279	19.8
206.10896	2.1
207.11745	4.2
207.13779	7.3
209.13257	7.6
209.15137	2.9
210.13820	2.0
211.14799	5.0
212.15240	2.2
213.12682	4.0
219.13855	3.6
219.65465	1.8
221.13368	5.0
221.15337	100.0
222.15770	7.2
223.14822	5.7
223.77565	1.8
224.15369	1.7
225.12698	2.6
225.16399	2.6
227.14319	2.4
233.13205	2.4
234.16115	3.0
235.14828	4.0
237.16266	1.8
239.14206	2.8
247.17027	5.3
248.17480	2.4
249.16406	2.7
269.19055	2.7
271.17023	3.7
277.15384	2.2
286.19391	3.6
287.20013	6.7
299.20383	2.4
300.20602	4.7
301.21573	4.9
311.19955	2.2
313.21603	2.8
352.24014	3.3
353.24469	4.1
367.26215	9.2
375.26923	2.3
393.27698	4.9
426.27023	2.5
428.28638	1.7
441.29828	2.7
491.35159	6.6
509.36282	4.4
520.35071	2.2
521.35815	6.0
583.41541	7.7
601.42267	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	601.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
53.03942	2.8
55.05497	8.0
57.07074	9.6
59.04975	3.7
62.42214	1.4
65.03925	2.7
65.75558	1.4
67.05502	14.5
69.03432	9.3
69.07048	7.3
71.43627	2.2
79.05486	12.6
81.06625	1.5
81.07053	22.4
82.07377	1.5
83.04955	4.8
83.08598	4.2
85.06521	4.7
91.05468	29.3
91.06032	1.7
92.05779	1.5
93.07037	50.2
94.07358	1.7
95.04968	10.6
95.08599	23.4
96.08904	2.1
97.06507	4.3
103.05450	2.1
105.07021	51.8
106.07335	2.0
107.07915	2.5
107.08578	28.4
109.06517	11.3
109.10159	9.7
109.64373	1.4
111.08082	2.3
115.05458	3.1
116.06210	1.9
117.07021	12.5
119.08570	52.0
120.08911	3.7
121.06484	6.6
121.10130	23.5
122.07240	1.9
123.08055	16.9
123.11671	2.5
125.05968	5.5
128.06183	6.7
129.06995	8.8
130.07729	2.4
131.08548	21.6
132.09315	1.6
133.06456	3.2
133.10118	25.4
135.08038	17.2
135.11691	6.9
136.08408	2.1
137.09587	14.6
141.06964	3.5
142.07761	9.7
143.08588	18.9
143.52684	1.8
144.09271	5.7
145.10118	32.8
146.10500	2.7
147.08041	26.9
147.11639	7.2
148.08379	2.3
149.09590	5.9
149.13242	1.5
150.10376	1.4
151.07529	14.2
153.06970	1.7
153.08998	1.8
155.08554	7.5
156.09363	8.6
157.10104	27.6
158.10574	4.8
159.08009	4.1
159.11681	22.4
160.08804	1.7
160.12125	1.7
161.09613	6.0
161.13271	8.0
163.11165	8.5
165.06979	2.6
165.09105	47.2
166.09444	2.5
167.08517	6.0
168.09274	1.6
169.10127	11.7
170.10806	4.8
171.11690	13.8
172.12370	2.2
173.09576	3.4
173.13307	8.3
174.10280	1.7
175.11162	6.1
175.14778	5.6
176.11491	1.9
177.09006	2.1
177.12677	1.9
179.08553	5.2
181.10075	6.3
181.12212	11.6
182.10846	4.1
183.11667	10.9
184.12286	1.4
185.09593	3.1
185.13324	7.6
187.11104	3.4
187.14766	4.5
189.12756	7.3
190.13385	1.9
191.10602	2.4
191.14255	1.9
192.09297	2.5
193.10089	5.7
193.12181	3.9
194.10791	4.5
194.12514	2.2
195.11638	7.9
196.12444	2.7
197.13255	8.3
198.13673	2.2
199.11084	3.3
199.14801	2.6
201.12724	2.8
201.16365	3.0
203.14293	17.3
205.09993	1.9
207.11827	3.5
207.13806	7.1
208.12364	1.7
208.14360	1.7
209.13184	8.0
209.14989	3.0
211.14786	5.9
212.15271	1.9
213.12691	2.9
220.12379	2.4
221.13548	3.6
221.15338	100.0
222.13988	1.5
222.15706	10.9
223.14565	2.9
224.65706	1.4
225.12714	1.5
225.16269	2.0
231.13887	1.8
233.13145	4.2
234.16046	3.1
235.14638	3.2
235.16699	2.2
237.16406	2.7
239.17754	1.5
247.14673	1.7
247.16870	5.2
248.17290	3.5
249.16405	1.8
253.15833	2.0
271.17117	1.8
274.19370	2.2
275.19827	2.1
283.20499	2.6
285.18539	1.6
286.19174	2.7
287.20026	5.2
292.67719	1.5
297.18271	1.9
299.19949	3.5
300.20602	4.3
301.21707	3.2
311.19821	1.9
312.20261	2.1
313.21503	2.0
325.21747	1.7
340.23734	1.9
341.24207	3.2
352.23984	6.1
353.24438	6.0
367.26486	7.7
370.86304	1.6
388.25412	1.4
393.27682	2.3
420.29871	2.2
421.30911	2.1
427.28101	2.4
428.28662	3.4
440.29102	4.7
441.29471	8.5
491.35263	10.1
505.18372	1.8
509.35922	6.4
521.35876	7.1
583.41516	10.0
601.42291	32.2
610.08301	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	601.1184
Annotation	Orientin 2''-O-gallate
Peak:m/z	Relative Intensity
51.02372	1.2
51.03616	0.7
55.01859	0.8
58.79241	0.6
61.02888	0.7
69.03411	2.3
69.88657	4.2
70.06611	1.0
77.93455	0.6
79.01844	4.4
81.03399	1.6
83.04968	1.8
85.02888	1.1
85.29300	0.6
93.58243	0.7
95.04971	1.1
95.42898	0.7
97.02853	1.3
105.07028	1.2
107.01277	1.1
109.02868	1.0
111.04409	2.3
121.02847	1.3
123.04414	0.9
125.02332	3.1
125.13813	0.8
127.03942	1.3
137.02327	33.7
137.03337	1.9
139.03909	2.4
143.03371	7.2
151.03853	1.5
153.01811	100.0
161.02309	1.0
163.03920	1.1
165.01837	1.4
167.03452	1.0
167.06967	1.0
177.01830	0.9
177.05301	0.9
179.03348	0.7
181.01250	0.8
189.01912	1.0
197.05991	1.0
203.03323	1.0
207.02867	3.4
217.05161	1.0
219.06500	1.5
221.04295	1.1
243.36281	0.6
245.04538	0.8
253.04866	1.0
263.05432	1.0
263.39307	0.8
265.07077	1.5
271.06046	1.5
281.06598	6.9
299.04953	5.1
299.08090	1.9
302.04236	1.4
303.05026	3.7
315.04959	12.3
316.05719	1.7
319.04596	1.1
327.04959	23.3
328.53427	0.7
329.02948	1.8
329.06622	1.6
331.04514	2.3
341.06628	1.9
343.04532	4.6
345.06024	29.1
345.10275	1.4
353.06305	0.9
357.05856	1.2
361.05591	3.6
367.07968	1.4
369.06012	5.3
385.05438	0.9
387.06967	1.1
395.07416	3.9
413.08539	7.5
431.09628	9.2
447.09177	1.2
449.10562	5.1
465.09894	1.3
497.07104	3.2
583.10364	1.3
601.11853	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1185
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02379	0.5
53.39865	0.3
55.01867	0.8
66.39548	0.3
68.99798	0.4
69.03423	0.6
71.71700	0.7
79.01842	2.9
81.03429	0.4
84.95792	0.3
85.02918	2.0
91.05460	0.6
92.46000	0.3
93.72367	0.3
95.04939	0.4
97.02886	11.3
99.04455	0.6
101.73289	0.3
103.05449	0.4
107.01323	0.9
107.04918	0.4
109.02871	1.3
111.00774	0.4
119.04938	0.4
121.02876	1.3
125.02347	2.5
127.03916	2.0
131.04941	2.6
132.94197	0.3
137.02274	0.4
139.03831	0.4
143.03377	5.6
145.04955	0.6
147.04417	0.8
153.01820	100.0
154.02113	0.7
159.04408	4.8
161.05934	0.5
163.02031	0.3
163.03888	1.9
164.16176	0.4
165.01817	0.6
171.02893	1.8
171.04294	0.5
173.28459	0.4
175.03885	1.3
177.05469	2.6
179.03360	1.2
181.01309	1.5
183.02783	0.5
187.03844	1.9
189.05574	0.4
189.52365	0.4
191.03383	3.2
193.01352	0.5
193.05016	0.5
197.00836	1.1
199.03928	0.5
203.03419	0.6
205.04958	8.2
207.02884	8.1
209.04500	0.8
211.02457	0.4
213.05496	0.4
215.03473	1.7
216.04210	0.4
217.04974	0.8
219.02971	0.6
221.04401	4.1
223.02354	0.9
223.06061	0.5
233.04424	13.2
235.02313	1.0
237.03897	2.9
243.02902	0.7
249.03911	2.8
251.05476	1.1
261.03903	3.9
279.04959	6.4
287.05481	22.3
288.05692	0.5
288.50052	0.4
297.06027	7.3
299.05331	0.5
315.07108	6.0
329.06680	0.5
493.75443	0.3
587.11804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.9
57.03426	9.5
67.05489	15.8
69.07037	13.4
70.78030	26.8
71.27646	8.5
75.04877	7.7
79.05459	28.0
81.03381	10.9
81.07047	39.6
83.04959	16.0
83.08640	10.1
89.06010	13.4
91.05468	41.7
92.51768	8.4
93.07033	44.6
95.04957	17.5
95.08587	30.2
97.06483	13.2
105.07024	76.2
107.08566	37.3
109.06499	12.9
109.10149	21.0
113.95151	7.7
117.06977	15.2
119.08556	60.7
121.06534	9.8
121.10103	45.1
123.08040	22.5
125.09579	9.4
128.06212	12.4
129.06981	17.9
131.08539	33.2
133.08577	9.8
133.10101	39.4
135.08038	25.7
135.11673	9.6
137.09543	13.3
142.07767	25.2
143.08521	37.3
144.09361	11.0
145.10101	51.1
147.08026	24.3
147.11662	14.2
149.09526	12.4
151.07545	15.6
155.08514	12.7
155.10591	9.8
156.09309	13.6
157.10136	55.9
158.10724	7.9
159.08014	18.9
159.11670	33.3
161.09564	11.0
161.13223	9.0
163.11142	16.9
165.09044	46.7
167.10594	12.7
169.10095	24.9
170.10938	12.1
171.11659	30.3
175.11134	24.0
179.08531	11.5
181.12228	14.0
183.11636	17.0
185.13252	20.4
189.12616	18.4
190.13478	8.3
193.12186	10.1
195.11673	11.9
197.13240	21.9
203.14334	17.4
207.11742	10.8
207.13719	13.5
209.13240	9.7
211.14552	10.7
213.12762	12.0
219.14041	7.7
221.13260	14.0
221.15305	100.0
222.15843	8.3
233.15317	16.5
237.14832	28.0
245.13319	8.2
247.14706	8.2
247.17010	12.7
248.13948	10.5
249.16234	11.2
255.17339	25.6
281.18817	8.5
287.19998	10.2
299.20020	15.1
303.19531	35.7
313.21613	22.0
325.21503	13.7
352.23904	75.6
365.24808	22.1
479.67892	8.3
507.34814	9.7
520.35632	41.4
590.46729	9.6
600.41272	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	15.3
59.04981	9.2
67.05485	19.6
69.07059	13.9
79.05516	13.5
80.25006	7.2
81.07049	28.5
83.08155	7.8
83.08648	7.4
89.05983	12.4
91.05476	34.0
93.07041	27.0
95.08591	20.9
98.20639	12.4
102.57759	7.3
105.07005	48.8
107.08576	29.4
109.06525	10.3
109.10139	9.5
109.40792	7.8
109.75921	7.0
117.07001	13.8
119.08556	62.8
121.10121	30.5
123.08074	18.1
131.08572	23.8
133.10118	24.7
135.08076	22.5
135.11653	12.5
142.07747	12.8
143.08557	22.7
145.10101	53.6
147.08011	27.8
149.09549	12.7
151.07579	12.6
155.08551	14.6
157.10104	31.4
159.11671	24.5
161.09592	11.8
163.11166	20.9
165.09108	38.4
169.10182	12.6
171.11685	13.7
173.09735	9.9
173.13213	9.2
175.11177	15.5
181.10091	12.6
181.12227	21.7
183.11694	18.1
185.13336	10.0
187.11169	9.8
189.12717	11.1
197.13237	14.3
201.12724	9.0
203.14153	10.9
209.13333	15.5
211.50314	9.5
219.13951	9.5
221.15318	100.0
234.16086	18.2
247.16943	33.6
274.19281	14.7
278.62021	9.4
287.20163	9.8
299.20007	10.6
325.21594	15.8
340.23969	20.9
352.23865	33.4
387.25278	9.5
391.26489	8.6
419.29346	16.0
427.27954	11.6
440.29059	50.1
520.35419	31.0
600.41864	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	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75164	28.0
66.64877	29.4
67.05507	28.6
78.99168	27.9
86.00368	28.7
86.91074	31.6
87.57099	30.2
89.06030	68.8
91.05465	43.0
93.07019	46.2
98.21478	80.8
105.07002	44.2
110.16975	34.0
119.08569	62.6
127.16103	38.1
133.08572	42.0
133.10211	33.0
147.08044	54.5
165.09109	55.0
221.15326	100.0
352.24414	36.9
440.29379	36.4
600.40826	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.3
57.07074	8.9
59.04998	2.8
67.05487	5.1
69.03422	5.4
69.07058	2.1
70.90881	4.1
77.03339	1.8
79.05488	7.8
81.07057	11.9
83.04974	3.5
85.06512	4.1
91.05463	14.8
92.06258	1.7
93.07024	18.2
95.04959	6.1
95.08594	10.2
97.06513	3.3
105.07014	26.4
107.08578	13.9
109.06505	4.4
109.10146	4.1
109.46265	1.5
111.08044	2.4
115.05416	1.7
117.07011	7.0
119.08571	34.3
121.06504	3.9
121.10158	12.5
123.08060	9.5
125.05988	6.4
128.06197	2.0
129.06995	4.8
131.08575	12.1
132.09306	1.8
133.06541	2.6
133.08597	1.7
133.10086	9.5
134.10455	1.7
135.08037	9.9
135.11658	4.3
136.08757	1.9
137.05939	2.0
137.09587	10.7
141.06963	2.0
142.07755	4.4
143.08575	13.2
144.09294	2.6
145.06490	1.9
145.10095	20.8
147.08008	17.2
147.11667	2.8
149.09613	9.2
151.07536	6.4
153.09277	2.0
155.08540	4.9
156.09314	5.3
157.10103	18.5
158.10835	2.4
159.08046	4.0
159.11681	13.3
161.09587	6.8
161.13240	3.9
163.11182	10.7
165.09099	43.1
166.09470	2.7
167.08592	1.8
169.10133	10.0
170.10866	3.8
171.11670	7.0
172.12311	2.0
173.09605	4.3
173.13222	4.6
175.11206	12.7
177.09082	2.6
177.12764	1.9
178.09894	2.0
180.09351	2.7
181.10088	4.1
181.12231	17.2
182.10829	2.0
183.11684	8.9
184.12390	2.3
185.09639	3.1
185.13225	6.3
187.11052	4.1
187.14848	2.3
189.12727	4.2
190.13528	4.9
191.10600	2.1
193.10234	2.9
193.12224	9.8
195.11653	6.3
195.13702	2.8
196.12444	1.7
197.13229	8.1
199.11194	4.7
199.14784	1.9
201.12682	4.6
203.14310	13.9
204.14632	2.6
207.11743	3.4
207.13783	10.0
208.14558	6.6
209.13208	5.4
210.13936	2.0
211.11122	3.4
211.14760	4.7
212.15578	2.5
215.14384	3.6
216.15154	1.9
219.11777	1.9
219.13768	5.9
221.13435	3.7
221.15338	100.0
222.15755	13.0
223.14870	3.1
225.12756	2.8
229.15811	2.8
233.13168	2.0
233.15312	4.0
234.13943	3.0
234.16093	19.6
237.12808	2.8
241.15953	2.1
247.14693	2.5
247.16925	24.0
248.17520	2.9
253.15892	2.5
259.16901	4.4
265.15796	2.7
269.47485	1.8
271.17096	1.9
273.18613	2.2
274.19247	12.5
274.58801	2.1
281.18997	4.4
281.50275	1.6
285.18518	2.2
287.20041	10.8
288.20270	2.7
297.18533	2.5
299.20062	13.9
300.20432	2.9
307.20462	2.1
309.18594	2.0
311.20093	4.3
312.20767	8.7
313.21545	6.7
325.21585	9.1
327.23169	5.0
337.21524	2.2
339.23199	4.6
340.23889	12.6
352.23877	22.8
353.24677	2.0
365.24768	5.3
366.25421	4.2
372.27267	1.8
377.24698	2.4
379.26199	3.9
387.25266	6.2
391.26178	3.6
392.26859	5.2
400.25909	1.8
402.27606	2.8
413.26761	4.0
419.29471	9.7
420.29977	3.0
425.26694	4.8
426.27475	4.2
427.28497	13.0
428.28857	2.8
440.29224	38.6
442.30725	3.8
454.30847	2.2
494.33664	2.1
507.34293	3.8
508.35318	6.0
520.35461	26.3
521.35974	3.1
585.39465	3.5
600.41510	42.1
601.41980	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	599.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84016	2.0
55.05500	3.3
57.07054	2.3
58.46928	1.8
67.05498	5.4
69.03436	1.9
69.07066	22.2
69.47773	18.5
79.05499	5.1
81.07057	19.0
83.01350	4.8
83.04992	6.6
83.08604	3.1
84.04528	2.9
91.05478	10.3
93.07051	4.2
95.04943	1.9
95.08604	8.4
97.03775	1.8
103.05488	2.5
105.03381	5.0
105.07027	8.0
107.04931	2.2
107.08582	3.8
109.06548	2.9
109.10150	4.6
117.07040	3.8
119.08565	5.0
119.60900	1.8
121.10159	2.9
123.08077	4.7
123.11730	3.2
131.04910	3.1
131.08534	2.5
135.08067	2.5
135.11752	2.3
137.09612	2.1
139.07587	2.2
147.08064	4.0
151.07576	7.6
155.04933	4.0
155.08511	2.7
165.09119	3.3
167.07068	3.8
167.08527	3.8
169.08604	14.2
169.09956	3.0
175.07568	2.2
177.93152	1.8
178.07884	2.8
181.06552	2.6
183.11603	3.4
195.06476	3.2
195.08075	5.2
207.08151	2.4
209.13293	2.9
211.11246	2.1
213.07558	3.1
215.08606	2.3
219.08093	8.9
221.15474	3.4
223.07491	4.9
231.08147	2.3
233.09607	3.0
235.07545	3.3
247.07530	12.1
248.08298	7.2
249.09245	2.9
251.07100	3.8
259.07642	2.7
261.09134	8.5
263.07001	4.2
266.09421	2.8
275.07007	17.8
276.07864	3.3
277.08612	2.8
281.11642	3.5
289.08536	11.2
289.11850	2.1
300.13199	2.6
315.10031	4.1
315.13416	2.1
317.08041	5.5
329.11758	3.4
331.13269	3.5
349.10770	2.1
354.12592	2.8
359.12720	3.3
371.12762	2.3
397.14523	7.2
399.19580	20.7
400.13193	5.5
401.13846	2.3
415.15219	11.1
425.13892	5.5
428.12628	3.1
443.14856	30.4
463.21252	3.6
473.23322	3.1
475.17517	31.2
499.21063	4.7
531.23724	3.9
539.27448	3.6
543.18701	3.0
549.26416	3.5
567.27509	17.5
599.30023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71965	0.8
53.03940	1.7
55.01868	2.0
55.05492	1.4
57.03432	1.0
65.03936	4.6
65.85355	0.8
66.54159	0.8
67.05499	4.3
68.99782	1.7
69.03418	2.8
69.07059	1.1
78.88002	0.7
79.05495	5.4
79.07146	0.8
81.03426	1.3
81.07053	23.8
83.01341	28.2
83.04979	4.5
91.05475	21.1
93.03392	2.8
93.07056	4.3
95.04966	6.4
95.08599	2.7
97.06542	4.2
99.08078	1.2
103.05468	6.5
105.03389	3.7
105.07027	5.3
107.04949	1.9
107.08584	1.7
107.66469	0.8
109.02859	3.4
109.06509	8.2
111.04440	3.2
115.05448	5.8
117.07012	1.7
119.08567	2.4
121.06495	2.9
121.10101	1.0
123.04410	3.5
123.08063	1.9
125.05990	7.5
127.03930	1.6
127.07555	20.3
129.06973	2.4
131.04921	20.2
131.08557	2.5
131.30408	0.9
133.06429	1.0
133.10153	1.7
137.02330	11.3
137.05858	0.8
139.07510	1.1
141.01768	1.8
141.07001	0.9
145.10098	1.0
149.05988	9.1
151.03902	11.1
151.07542	5.0
152.04683	5.6
153.05437	8.3
153.06651	1.3
155.03366	1.5
155.08440	1.0
157.06511	1.2
157.10092	1.7
158.76561	1.0
159.08063	1.0
161.02338	1.4
161.09743	0.9
165.07025	1.9
165.09134	1.2
166.07791	2.1
167.07051	3.2
167.08464	1.2
169.05031	4.9
169.08612	16.2
171.11694	1.0
173.05995	3.2
177.05473	20.7
178.07797	1.5
179.03389	19.6
179.08562	1.3
181.04938	6.2
181.06454	1.9
181.10132	2.3
185.05933	2.1
191.08551	8.1
193.10175	6.1
195.06523	100.0
196.06862	1.2
197.04443	33.1
197.05980	1.7
199.07538	1.8
205.10129	1.2
207.11769	1.4
209.06038	2.0
209.09602	2.4
212.08214	1.8
213.07564	41.4
215.05515	3.2
215.08589	1.1
219.08040	18.4
227.07158	1.7
227.10643	33.2
233.09540	1.6
233.15363	1.1
237.09135	1.7
240.07669	2.3
241.08661	2.3
255.10156	36.0
257.11685	1.8
261.09149	2.8
265.08633	2.2
283.09647	17.0
284.44504	0.9
299.12762	98.3
300.13104	1.3
301.10684	41.3
302.11096	0.9
303.10217	2.3
343.13391	1.4
353.11609	1.1
371.12582	3.4
385.13956	1.7
387.15857	10.3
389.13754	2.3
395.12955	1.6
411.16302	1.1
413.13940	4.2
427.15112	1.2
429.17050	3.3
431.14911	2.1
507.34616	1.1
555.74548	1.1
563.20630	5.6
581.21362	3.5
581.38281	1.3
599.22894	10.0
599.40253	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01872	2.2
55.05501	3.0
55.50096	1.2
55.52134	1.1
56.11198	1.3
62.62833	1.0
65.03932	4.3
66.85432	1.3
67.05486	7.1
68.99786	2.3
69.03416	2.4
69.07050	2.9
71.04974	1.4
71.72421	1.1
71.72839	2.2
79.05484	3.5
81.03396	2.1
81.07050	23.6
83.01338	26.3
83.04981	6.5
83.08633	1.3
84.43447	1.3
89.64845	1.1
91.05469	20.7
93.03403	3.0
93.07024	5.4
95.04957	6.9
95.08588	4.0
97.02899	2.5
97.06528	3.4
97.10154	1.4
98.12381	1.1
99.08059	2.2
103.05463	6.2
105.03370	4.6
105.06997	7.5
107.04940	2.0
107.08622	2.8
109.02868	2.8
109.06518	6.8
109.10111	3.3
111.04408	1.6
115.05434	4.6
117.06986	2.2
119.08563	4.8
121.06477	4.0
121.10147	2.5
123.04437	3.3
123.08087	2.2
125.06000	7.0
127.03922	1.8
127.07555	17.3
129.06981	2.9
131.04919	18.8
131.08565	2.6
132.05307	1.4
133.10104	1.9
137.02324	10.0
139.07545	1.4
143.08559	2.0
145.10063	2.3
147.11696	1.4
149.05983	7.0
151.03893	10.2
151.07513	5.5
152.04686	3.4
153.05490	8.7
153.06635	1.5
155.04761	1.3
157.06548	1.4
157.10211	2.3
165.07022	1.9
165.09047	1.2
166.07716	2.7
167.07063	3.4
167.08482	1.7
169.04970	4.1
169.08594	17.2
169.10014	2.2
171.11792	1.6
173.05952	3.7
177.05438	18.1
179.03372	17.8
181.04991	7.7
181.06404	1.3
181.10103	2.6
185.05931	1.9
191.08539	8.8
193.10097	7.5
195.06516	95.5
196.06880	2.3
197.04424	33.4
199.07524	3.0
199.11125	1.6
200.44804	1.2
209.06000	2.1
209.09587	1.9
212.08266	3.1
213.07555	41.2
215.05507	1.9
215.08632	1.6
219.08052	18.4
221.15324	1.7
225.13046	1.5
227.10658	31.8
233.15443	1.4
237.05389	1.5
237.09111	1.6
240.07773	2.5
241.08549	2.4
255.10141	39.4
257.11832	2.7
261.09134	2.9
261.32739	1.5
265.08578	3.0
283.09625	19.7
284.10251	1.8
299.12750	100.0
300.13223	2.9
301.10648	39.6
301.13956	1.9
303.10031	1.9
314.45996	1.3
324.54437	1.2
343.13177	1.2
371.12720	3.6
387.15927	10.4
395.12253	1.4
411.16074	1.5
413.13754	4.0
429.16891	4.7
431.14926	2.7
507.34756	1.9
563.20789	5.6
581.21960	2.8
599.22943	9.6
599.40118	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	599.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73771	1.2
70.88523	1.5
70.88834	3.5
75.73875	1.4
79.05476	1.4
85.02880	3.6
95.04901	2.0
101.38453	1.3
107.04945	100.0
163.03902	2.9
175.03857	3.4
177.05481	2.9
185.06082	1.6
189.05368	1.9
193.04918	3.6
201.05374	1.7
205.04999	3.6
217.04961	5.0
221.04306	2.2
223.05939	1.7
235.06026	3.9
247.05984	4.6
259.06067	7.0
271.05859	1.8
277.07147	2.1
283.05972	2.2
285.07544	1.7
289.06952	2.3
301.06952	3.5
311.09283	1.6
313.07129	2.3
325.07068	2.4
329.10318	1.9
341.10196	5.3
353.10208	5.4
365.10052	4.2
377.10046	1.7
383.11230	5.9
395.11151	6.6
407.11267	8.0
413.12296	2.3
419.11279	6.3
425.12408	4.2
431.13431	8.5
443.13254	2.9
449.12289	5.9
461.12271	3.7
467.13181	3.9
479.12943	3.4
485.14188	2.2
491.13318	3.2
497.14377	5.9
517.87903	2.0
558.59204	1.4
598.87048	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16217	0.5
50.88088	0.5
53.03931	1.1
57.03419	0.6
63.41696	0.4
69.40919	0.8
69.41331	4.0
77.51096	0.4
79.05476	0.7
79.99827	0.4
81.03400	0.6
85.02896	2.3
95.04956	1.7
97.02880	1.2
98.21473	0.9
101.86145	0.4
107.04947	100.0
108.05276	0.7
109.02892	0.5
116.86729	0.4
119.04906	0.6
121.02878	1.7
121.06506	0.8
123.04400	0.7
125.37419	0.5
131.04959	1.2
133.06499	0.7
135.04433	0.7
139.03906	0.5
147.04401	1.7
149.05974	1.3
151.03882	1.3
159.04424	0.6
161.05907	0.8
161.79195	0.4
163.03862	2.2
171.04471	1.2
173.06007	1.2
175.03871	2.1
177.05524	1.3
181.04973	1.6
185.05946	0.9
187.03886	2.0
187.98619	0.5
189.05441	1.4
193.04962	2.7
197.06133	0.6
199.03972	0.7
201.05524	2.4
203.07074	0.9
205.04945	5.0
213.05507	1.7
215.03502	0.5
217.04964	4.2
219.02911	0.8
219.06462	2.1
221.04504	1.6
223.05998	1.9
225.05342	0.7
229.04961	2.0
231.06441	2.1
235.05933	3.3
241.04877	1.2
243.06506	1.4
245.04488	0.6
245.08241	0.5
247.05971	5.2
253.04886	0.7
255.06541	0.9
257.04517	0.6
259.06012	5.8
271.06042	2.8
273.07651	1.5
277.06989	1.4
279.06491	0.7
282.93427	0.5
283.05997	1.5
285.07547	1.0
287.09091	0.8
289.07007	3.1
295.05914	0.6
297.07410	0.7
299.09106	1.8
301.07101	3.3
311.09244	1.4
313.07001	2.3
317.10229	1.7
323.09103	0.6
325.07056	1.9
327.08527	0.7
329.10266	3.0
341.10010	3.0
343.08084	1.0
353.10178	5.5
365.10266	4.6
377.10153	1.9
383.11224	7.0
389.09979	1.1
393.09741	0.6
395.11230	8.1
407.11243	7.7
413.12341	2.5
419.11142	5.3
425.12271	3.2
429.11719	0.6
431.13477	9.8
443.13199	2.3
449.12286	6.9
456.72632	0.5
461.13141	3.0
467.13324	2.7
473.12112	0.9
479.13272	3.6
485.14117	2.2
491.13354	1.9
497.14478	6.1
509.14532	2.0
527.15430	2.1
545.16534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05507	22.9
57.03438	8.2
57.07066	12.2
65.03940	3.3
67.05502	57.1
69.03403	4.7
69.07066	22.2
71.04993	5.1
71.08620	10.5
71.72832	5.6
79.05487	49.3
81.03403	4.5
81.07053	88.4
83.01324	4.8
83.04967	12.7
83.08627	16.9
84.04503	51.7
91.05475	40.4
93.07042	64.7
94.07376	3.3
95.04962	9.5
95.08595	37.0
97.06519	9.7
97.10157	4.5
99.08098	7.6
105.07032	20.6
105.77340	2.7
107.08575	27.1
109.06517	7.3
109.10144	4.8
111.08064	6.8
117.07018	9.0
119.08556	7.3
121.10146	18.1
123.08083	6.9
123.11728	3.6
125.05965	4.3
131.04887	3.6
131.08549	14.1
133.10097	14.2
135.11696	13.8
139.11195	4.3
143.08582	3.8
149.13274	15.9
151.07509	3.8
151.11102	7.0
159.11707	12.1
161.13216	4.0
163.11249	5.0
169.08635	6.3
171.11717	4.5
177.12724	4.5
195.06499	24.3
195.13760	17.2
196.06898	9.0
208.13356	3.8
213.07553	11.2
213.14946	4.9
214.07988	4.4
220.52486	3.3
233.15309	3.7
250.14447	3.8
251.16483	4.1
259.15500	7.0
269.17462	41.3
277.21631	8.7
282.43130	3.1
299.12720	15.6
300.13062	17.1
313.27420	13.5
351.25266	11.5
403.42477	3.4
463.30566	100.0
464.30832	3.3
496.45184	3.1
497.38168	4.4
545.38373	6.4
580.42584	4.8
598.26703	3.3
598.42773	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01308	1.2
53.03933	4.2
54.86603	1.4
55.01868	2.2
55.05503	10.8
57.03432	6.3
57.07060	3.1
63.30110	1.4
65.03947	2.0
67.05499	35.4
67.12862	1.3
69.03417	3.3
69.07063	11.3
69.41109	1.2
71.04969	3.0
71.08625	6.2
71.70548	1.9
71.70915	1.9
73.30161	1.5
79.05489	22.1
81.07050	64.7
82.07384	4.2
83.01337	21.7
83.04975	10.7
83.08604	7.5
84.01691	2.4
84.04496	9.7
91.04939	2.2
91.05476	25.3
92.05807	2.3
93.07040	35.6
95.04978	7.6
95.08600	15.2
97.06535	9.9
97.10171	3.4
99.08089	7.4
103.05469	6.3
104.05794	1.9
105.03367	2.8
105.07010	10.4
107.08588	19.4
109.06498	8.8
109.10142	3.9
110.06832	2.0
111.04462	3.2
111.08059	3.6
115.05470	3.1
117.07012	6.7
119.08565	6.5
121.06516	4.2
121.10135	12.8
123.08080	4.8
123.11723	2.4
125.02343	1.3
125.05992	6.3
125.09606	2.0
126.06329	2.0
127.06713	1.9
127.07561	20.8
128.07887	4.2
129.07016	2.8
131.04921	19.6
131.08548	6.4
132.05280	7.7
133.10107	7.0
135.11705	7.5
137.00572	1.5
139.11139	2.1
145.10083	2.6
147.11693	2.8
149.05916	7.4
149.09639	2.0
149.13252	16.3
150.06287	1.6
151.07512	11.1
151.11118	8.1
152.04692	5.3
152.07892	5.2
153.05424	5.4
154.05878	1.5
157.04996	2.3
157.10100	1.8
159.11700	7.5
162.82945	1.3
163.11162	3.4
165.05424	2.0
167.07014	4.3
167.10713	2.0
169.08603	34.2
170.08917	9.8
173.06070	1.4
177.05466	5.1
177.12775	4.6
178.05763	2.7
192.09012	2.2
193.10118	3.0
194.10483	2.2
195.06520	100.0
195.13741	8.2
196.05038	2.5
196.06862	44.1
197.07101	1.7
213.07558	46.5
213.14777	1.5
214.07919	18.3
214.09824	2.4
215.08118	1.8
215.10471	1.9
217.10063	2.0
219.08017	9.8
220.08388	5.0
227.12805	2.0
230.46832	1.4
233.15344	1.8
237.07523	4.2
238.07841	2.1
238.11714	1.3
241.19258	1.6
249.07626	7.5
250.07912	4.4
251.16360	1.8
257.11600	3.4
258.12112	3.1
259.20419	2.1
269.17477	29.4
277.21765	5.8
299.12772	59.0
300.13101	70.4
301.13321	3.5
313.27451	2.6
341.13693	5.4
342.14081	8.2
351.25302	7.4
386.18372	1.7
387.15692	1.8
388.16074	4.0
403.19025	1.4
412.16190	3.6
430.17447	8.9
445.28775	1.9
463.30511	49.0
464.31207	1.7
475.17258	2.0
545.38123	6.1
580.24091	11.4
598.25079	8.4
598.43170	1.7
627.37274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09094	2.1
51.60783	1.5
57.33788	1.6
58.61586	1.8
67.75562	1.8
69.03398	2.9
70.96445	5.0
70.96813	2.5
72.96780	1.7
79.05468	4.2
81.03410	13.4
85.02885	11.1
91.05457	3.4
97.02834	1.9
103.05444	2.8
105.06963	2.0
107.04934	6.8
115.05429	6.5
117.07008	11.7
123.04416	2.6
124.05199	3.0
125.05974	2.1
127.03902	4.1
131.04900	2.2
131.08537	4.2
144.05692	3.4
145.06473	38.1
155.06059	2.5
156.05685	8.9
159.07997	4.6
161.05957	5.8
167.07024	51.5
173.05963	62.7
180.08612	2.9
184.05168	2.9
187.07494	6.5
190.06226	30.3
193.08562	3.5
198.69397	2.0
202.06261	3.5
203.07021	5.2
205.08577	100.0
207.06520	2.8
209.43692	1.8
217.08577	45.5
219.08202	2.1
219.10165	3.3
223.09637	3.8
235.09607	26.3
247.09601	8.0
265.10684	30.2
269.07837	2.0
277.04678	1.7
315.08551	5.0
330.10965	5.1
331.11649	4.6
343.11459	2.6
351.12405	3.9
371.14801	3.8
383.14709	10.4
401.15976	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	597.2478
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
57.03430	0.8
57.46949	0.5
67.05492	1.5
69.03418	1.4
69.07049	2.2
70.90134	1.4
70.90511	1.2
71.04963	0.9
79.05484	1.6
81.07050	5.7
83.01333	7.0
83.04977	1.8
84.29527	0.7
91.05463	7.2
93.07041	0.7
95.08600	3.2
97.06510	1.3
99.04795	0.5
99.08076	0.6
103.05466	2.1
105.03389	4.2
105.07038	1.9
107.06056	0.7
109.06522	2.6
111.04395	0.7
115.05448	3.3
119.04915	1.1
119.08519	0.8
121.06475	1.1
123.00791	8.0
123.08055	6.2
125.06009	1.5
127.07552	4.3
129.06995	6.3
130.24927	0.6
133.06468	0.8
135.08051	0.8
137.02306	0.7
137.05966	2.4
139.07564	1.1
141.01790	1.2
143.04942	0.9
147.04396	8.3
147.08080	1.4
149.05946	2.0
151.03893	4.1
151.07532	31.9
152.04526	0.7
152.06247	0.8
153.05431	1.5
157.06454	1.1
161.05981	15.3
165.05496	18.9
165.06975	2.2
165.09157	1.1
166.07793	2.5
167.07042	2.7
167.08554	8.1
168.73590	0.6
169.08589	91.3
170.08984	1.0
175.07529	3.1
177.05431	1.6
178.06210	1.7
178.07747	1.2
179.03415	4.3
179.07018	3.6
181.10104	3.1
189.05388	3.3
191.07037	1.0
191.08510	4.6
193.04927	6.7
193.08617	2.0
193.10178	2.1
194.52240	0.6
195.06525	17.9
202.07808	0.6
203.07014	5.6
203.08556	0.8
205.08461	1.0
205.10158	1.8
206.05652	3.2
207.06522	9.2
207.11626	1.0
209.08064	1.3
213.07593	5.7
215.08536	4.7
216.09201	0.9
217.10147	1.5
221.08011	10.9
223.09579	1.1
231.06358	3.3
233.09561	1.9
235.11197	1.9
237.07574	1.3
244.08815	1.2
249.07571	100.0
250.07921	1.8
257.09421	0.8
261.09128	1.5
285.09106	1.0
299.12790	2.3
321.11209	1.8
368.14182	0.9
369.15125	0.8
373.14218	1.3
383.16473	3.1
385.17978	3.3
399.14322	6.0
401.17355	5.5
403.19141	1.5
411.15854	6.4
417.15353	9.6
429.16895	10.8
513.36456	0.7
561.22583	0.7
579.23883	4.0
586.14459	0.8
597.24500	5.2
598.35498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2476
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
53.02285	0.5
65.03581	0.5
65.03936	0.7
69.45881	4.6
69.46205	0.9
79.05477	1.4
81.07048	12.2
83.00871	0.9
83.01337	12.4
83.04961	2.2
91.05474	7.3
93.07021	1.2
97.06526	1.0
98.20739	0.7
99.08065	0.7
103.05466	2.5
105.03413	0.8
105.07012	0.9
109.06510	6.1
111.04428	1.8
112.84895	0.4
115.05443	1.2
121.06496	1.0
123.08076	0.7
125.02406	0.7
125.05986	4.4
127.07558	12.6
131.04921	9.2
139.03912	0.5
139.07474	0.6
149.05949	4.5
149.45654	0.4
151.07541	4.0
152.04622	2.6
153.05444	3.9
158.95950	0.4
165.06966	0.5
167.03294	0.4
167.07051	3.0
169.08600	17.0
173.05983	0.9
177.05469	4.5
179.06992	0.5
188.76691	0.5
191.08577	2.9
193.10071	2.3
195.06520	100.0
196.06905	0.7
211.09595	0.6
213.07568	30.0
215.10712	0.6
217.10017	0.7
219.08041	8.4
237.07550	1.7
239.10608	0.6
242.41246	0.5
257.11771	2.5
261.09088	1.2
262.64713	0.4
275.29630	0.5
297.11179	1.0
299.12762	97.6
300.13049	4.6
316.68997	0.5
325.10666	0.6
341.13864	3.7
359.12634	0.9
360.12582	0.5
373.14154	0.9
385.17953	0.9
387.15897	4.1
401.17465	0.8
403.19040	0.5
411.15756	2.0
429.17020	7.1
561.22632	0.8
579.23785	5.2
580.23792	0.7
597.16284	0.7
597.24786	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	597.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13159	0.9
67.05496	1.4
69.03408	1.3
69.47939	7.5
69.48348	2.2
75.58778	1.0
79.05491	3.2
81.07050	18.6
81.07498	1.7
83.01332	15.7
83.04984	2.4
91.05474	11.1
93.07035	1.4
95.04949	1.0
95.08603	2.1
97.06543	2.2
99.08120	1.6
103.05452	4.1
109.06516	6.4
111.04452	2.1
125.06001	5.3
127.07549	15.6
127.30610	0.9
129.07007	1.1
131.04924	12.7
143.08499	1.0
149.05962	5.6
151.07536	4.0
152.04663	4.0
153.05475	4.7
167.07057	3.0
169.08597	7.4
177.05453	5.5
195.06517	100.0
196.06812	0.9
211.11069	1.8
213.07568	36.4
219.08072	1.3
239.10666	1.7
255.98288	0.9
276.22995	0.9
299.12756	96.3
300.13022	1.8
325.10684	2.3
343.11496	1.9
379.19101	1.3
381.20715	2.3
411.15765	1.0
429.16867	3.2
465.92776	0.9
561.21796	1.1
579.23871	6.8
595.27954	1.1
597.39313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2477
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
55.01870	0.7
55.05513	0.5
58.97194	0.4
66.02775	0.4
67.05485	1.2
69.03411	1.0
69.07056	1.6
70.31143	1.0
70.31562	1.4
79.05492	0.8
81.07053	5.4
83.01344	5.9
83.04983	0.8
91.05471	5.1
95.04934	0.7
95.08597	2.2
103.05439	0.9
105.03378	2.1
105.07032	1.1
109.06502	2.7
111.04446	0.5
115.05444	3.8
117.07023	0.8
119.04916	0.5
121.06492	0.6
123.00776	9.1
123.04440	0.6
123.08059	6.6
125.05967	1.2
127.07568	3.4
128.06216	0.7
129.07010	3.0
131.08463	0.6
133.02823	0.6
135.04433	0.6
135.08049	0.5
137.05965	2.4
139.07561	1.0
141.01799	0.7
141.07051	0.5
143.04854	0.6
144.97224	0.6
147.04399	6.8
147.08028	0.8
149.05963	2.0
151.03934	3.1
151.07532	30.9
152.04727	0.9
153.05486	0.9
154.06186	0.6
157.06508	0.6
161.05972	13.1
163.07484	0.6
165.05486	17.1
165.06981	1.4
165.09042	0.5
166.07790	1.3
167.07022	2.3
167.08562	5.3
169.08589	89.7
170.08939	1.0
175.07587	3.7
177.05472	1.6
178.06235	0.9
179.03374	4.8
179.07025	3.3
179.08534	0.9
181.10062	1.8
182.70795	0.5
183.06578	0.7
189.05475	2.4
191.06993	0.7
191.08563	2.0
193.04955	5.9
193.08676	0.9
193.10130	2.2
195.06517	14.7
203.06998	6.1
203.08640	0.9
205.10139	1.2
206.05759	3.5
207.06516	9.3
207.11584	0.8
209.07999	0.9
213.07552	4.1
215.08551	3.4
216.09283	1.1
217.10182	1.1
221.08044	9.0
223.09708	0.6
231.06433	3.0
233.09648	1.4
235.11125	1.8
244.08862	0.6
249.07565	100.0
250.07967	1.4
259.10989	0.9
261.09149	1.3
275.10522	0.6
299.12668	0.6
321.11157	1.1
368.14120	0.7
371.14886	0.7
383.16440	2.4
385.17841	2.4
396.13803	0.5
399.14294	3.4
401.17377	4.2
403.18811	1.1
411.15964	4.0
417.15399	4.7
429.16940	8.4
561.22510	0.6
579.23895	2.9
597.24890	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	597.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13936	0.3
62.76109	0.3
66.75814	0.3
67.01848	0.4
67.05489	0.4
68.99770	0.5
69.03412	0.8
69.47988	1.4
69.48417	2.0
79.05463	2.0
81.07048	17.1
83.01333	15.8
83.01832	0.7
83.04983	2.6
87.22902	0.3
91.05466	7.2
93.07027	1.5
95.04929	0.8
95.08606	0.4
97.02836	0.4
97.06517	1.6
99.08076	1.0
100.85983	0.3
103.05471	2.3
105.03394	0.7
105.07027	0.8
109.06506	6.9
111.04428	2.2
111.08057	0.4
115.05439	1.6
121.06457	1.3
123.08059	1.0
125.02355	0.8
125.05978	5.5
127.07543	17.1
129.06987	0.4
131.04918	7.0
135.04364	0.3
139.03889	0.5
139.07552	0.9
149.05980	5.2
151.03857	0.5
151.07521	3.0
152.04674	3.4
153.05446	6.1
158.26956	0.3
167.07007	2.5
169.08594	11.6
169.10031	0.6
177.03931	0.6
177.05463	5.9
178.07793	0.6
180.04135	0.6
191.08553	2.3
193.10117	3.3
195.06512	100.0
196.06828	1.5
213.07558	30.8
214.07907	0.4
215.10689	0.4
218.65013	0.3
219.08037	7.3
224.65044	0.3
231.08177	0.4
237.07471	0.5
239.10559	0.4
257.11746	1.3
261.09009	1.4
297.11200	0.9
299.12750	96.9
300.13043	3.1
359.12872	1.0
373.14264	0.8
385.17633	0.5
387.15826	3.7
388.16165	0.4
401.17215	0.4
403.18982	0.6
411.15820	1.2
429.16959	4.7
446.70416	0.4
561.22235	0.6
579.23822	3.0
597.24731	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	597.2475
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
50.72656	1.0
51.02396	0.8
53.03929	1.1
65.28120	0.9
69.59592	7.4
77.03912	0.9
81.07041	7.2
83.01338	7.1
91.05475	4.0
95.04960	2.4
95.08575	2.1
98.21436	2.0
103.05459	29.1
105.03382	9.0
105.07062	1.3
109.06519	2.0
112.39130	0.8
112.40025	0.9
115.05439	1.0
121.06463	0.9
123.08025	3.7
125.05975	3.4
127.07543	7.4
129.06934	1.3
131.04916	100.0
137.05959	0.9
149.05978	1.5
151.07529	19.4
152.04660	1.8
153.05464	2.0
167.07016	2.3
167.08440	1.1
169.08591	67.4
173.05975	5.5
175.03836	1.8
177.05479	2.4
179.08498	1.0
193.10130	2.8
195.06509	50.9
196.08856	1.3
197.09637	2.0
211.11168	1.8
213.07570	10.1
214.09880	5.7
215.10637	7.7
223.54430	0.9
235.11176	2.2
237.07565	15.6
239.10515	4.8
253.12094	1.1
257.11710	22.5
279.10165	1.4
299.12753	59.9
312.41125	0.9
323.12796	4.4
324.07050	1.0
325.10632	7.1
326.10394	1.0
335.12628	1.7
341.13809	45.4
342.13992	1.3
385.18140	1.7
396.13379	1.6
397.14215	1.5
411.15714	3.8
412.16690	2.8
429.16928	20.7
430.16656	1.1
561.22638	3.3
579.23779	39.9
580.23950	3.5
597.24823	20.1
620.00348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60524	0.5
67.05476	0.8
69.03414	0.7
69.67964	4.5
79.05476	2.4
81.07047	17.4
83.01333	13.3
83.04987	2.9
91.05457	1.3
93.07022	1.7
93.29559	0.6
95.04945	0.7
95.08547	0.8
97.06507	2.5
99.08063	0.7
103.05457	1.1
105.03452	0.6
105.06973	0.8
109.06513	7.5
111.04427	1.8
121.06505	1.1
125.05974	5.5
127.07540	15.9
131.04912	5.0
139.07532	1.0
149.05949	4.8
151.07539	1.1
152.04671	4.0
153.05455	4.9
157.10114	0.7
167.07072	2.9
169.04951	0.6
169.08591	2.0
175.07480	0.6
177.05449	4.4
191.08459	0.7
193.10255	0.6
195.06511	92.0
196.06856	1.4
213.07558	42.5
217.64001	0.6
219.08092	0.7
234.39264	0.6
257.11688	0.9
299.12753	100.0
300.13071	1.4
429.17120	0.7
597.25055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
60.24933	0.9
67.05505	1.3
68.99789	2.1
69.03394	1.1
69.44392	1.4
69.44790	9.0
77.56467	0.9
79.05481	2.6
81.06673	1.0
81.07063	9.7
83.01333	7.8
83.04981	1.9
85.08237	1.0
91.05484	5.4
93.07044	1.8
95.04957	2.3
96.72675	1.0
97.06510	0.9
103.04767	1.6
103.05459	30.8
105.03378	8.1
105.07031	2.8
109.06514	3.4
111.04445	1.5
117.07025	1.8
123.08098	5.3
125.05994	2.9
127.07531	9.0
129.07034	1.5
131.04916	100.0
137.06001	0.9
145.06487	1.8
147.08098	1.1
149.05916	1.7
151.07532	28.9
152.04684	1.8
153.05452	2.5
154.06332	1.2
155.04906	2.1
155.08595	1.7
167.07050	3.1
169.08594	81.2
170.08890	1.2
173.05963	17.2
177.05505	2.6
178.07779	1.4
193.10161	3.3
195.06514	55.9
196.06706	1.0
197.09572	3.6
202.07799	3.4
209.08107	2.9
211.11099	2.0
213.07558	12.6
214.09889	4.6
215.08698	1.6
215.10658	8.1
217.10147	2.6
220.07114	1.1
230.18330	1.1
237.07573	32.7
239.10719	5.2
257.11710	22.7
261.09146	1.7
267.27750	1.0
291.09906	1.3
291.80557	1.0
299.12753	33.5
300.13266	1.2
307.13358	2.5
323.12717	7.0
325.10736	3.6
335.12811	4.6
341.13815	70.4
342.14264	1.3
369.15039	1.0
385.17828	1.9
395.12888	1.0
396.13367	2.6
397.14243	3.4
411.15799	8.3
412.16580	3.6
429.17020	10.8
561.22546	7.6
579.23767	52.9
580.24390	1.6
597.24280	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	597.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.54218	0.8
68.99778	2.5
70.83060	2.7
77.03916	1.3
79.05470	1.9
81.07055	10.7
83.01337	8.2
83.04960	1.4
91.05477	5.3
91.94228	0.8
95.04945	2.1
95.08598	1.6
97.06481	1.4
99.08046	1.4
103.05463	30.2
105.03381	8.7
105.07029	1.9
109.06499	2.8
111.04455	1.3
115.05422	2.2
117.07000	2.5
118.50051	0.8
119.11043	0.8
123.08045	4.3
125.05972	3.7
127.07535	8.0
131.04916	100.0
132.05197	1.6
144.29118	0.8
144.50955	0.9
145.06464	2.8
147.08070	0.9
149.06013	3.3
151.07524	30.3
152.04639	1.3
153.05469	2.9
155.04906	1.6
167.07030	2.4
167.08543	0.8
169.08591	90.3
170.08934	1.1
173.05977	17.4
173.09651	0.9
177.05461	3.1
178.07759	2.2
179.07060	1.3
179.08519	0.8
183.11731	2.0
187.11163	1.1
193.10066	4.7
195.06514	74.4
195.75864	0.9
196.06953	1.9
196.08667	1.3
197.09604	3.2
202.07811	1.2
209.08028	3.5
209.11412	0.9
211.11159	1.5
213.07559	15.0
213.09454	1.4
213.39632	0.8
214.09930	6.1
215.08682	1.7
215.10640	10.5
217.10175	2.7
237.07558	39.0
239.10597	7.2
257.11703	21.9
261.09003	1.3
279.10150	3.1
281.11578	1.1
299.12766	35.1
300.13113	1.4
307.13248	1.1
308.10342	1.2
317.11929	1.1
320.10318	1.6
323.12680	5.5
325.10684	3.4
335.12701	3.6
335.28827	0.9
341.13812	81.0
342.14194	2.6
383.16171	1.1
385.17880	2.4
396.13428	2.7
397.14185	2.9
411.15970	8.8
412.16528	2.9
429.16882	12.9
491.20306	2.3
561.22742	5.2
579.23724	47.0
580.24054	2.6
597.24786	13.7
598.25488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2478
Annotation	alpha-Diceroptene
Peak:m/z	Relative Intensity
51.73324	1.2
53.03924	2.3
55.05490	1.6
67.05487	2.7
68.32242	1.3
68.99799	1.8
69.07060	2.4
71.16424	2.9
71.16782	1.7
77.03912	2.0
79.05471	2.9
81.07063	10.6
83.01333	8.1
83.04951	2.0
91.05479	6.6
93.07020	3.3
95.04969	2.3
95.08605	3.1
103.05461	35.4
105.03381	8.8
105.07029	3.5
109.06493	4.1
111.04451	2.5
115.05413	1.7
117.07014	1.4
117.83167	1.1
123.08064	6.9
125.05993	3.8
127.07541	10.0
128.12863	1.2
129.07011	1.6
131.04919	100.0
141.07002	1.5
143.08513	1.6
145.06509	1.4
149.05968	3.9
151.07530	26.8
152.04700	2.5
153.05444	3.1
155.08607	2.2
167.03433	1.3
167.07016	3.8
169.08595	84.4
173.05974	19.0
177.05481	2.3
178.07875	2.1
181.04858	1.3
183.11618	1.4
187.75761	1.4
193.10143	4.4
195.06520	60.9
197.09598	2.7
202.07787	3.3
202.15764	1.2
209.08057	2.3
211.11053	2.4
213.07549	18.3
214.09875	6.1
215.08739	2.5
215.10583	10.4
216.09370	1.3
217.10149	3.6
228.51152	1.3
235.09546	1.5
237.07556	29.6
239.10698	4.5
257.11752	23.9
266.00943	1.4
279.10245	2.1
299.12766	43.3
307.13297	2.1
320.10599	3.5
323.12650	4.9
325.10617	3.1
335.12836	4.1
341.13824	61.3
342.14108	1.7
385.18094	2.4
395.12424	2.1
396.13269	2.0
397.14297	2.5
411.15958	7.2
412.16583	5.0
429.16943	14.4
561.22382	7.3
579.23688	56.3
580.24359	1.8
597.24719	6.5
598.24438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05513	1.1
55.05780	0.4
68.99789	0.5
69.03429	16.5
69.75228	0.4
70.16911	1.0
70.17328	1.5
71.01347	0.9
71.05001	0.7
76.23073	0.5
79.05508	0.5
81.03402	0.6
83.04984	4.4
85.02889	2.1
91.05483	0.5
95.04967	0.9
98.20844	0.6
105.55153	0.4
107.04948	100.0
111.04438	5.2
111.61772	0.4
121.02832	0.9
121.06506	4.0
129.05478	10.3
137.02371	1.1
137.03456	0.5
139.03859	0.6
145.06508	0.7
147.04420	0.5
147.08057	0.5
149.05978	7.9
153.01843	1.5
157.06529	1.4
163.03885	0.8
165.01871	0.7
167.06998	1.0
175.07593	1.2
187.07553	0.8
193.04984	1.1
199.07588	1.8
201.05487	1.1
202.93965	0.5
213.09209	0.4
217.08568	0.9
229.04962	1.7
257.04486	0.8
259.09750	1.1
295.11719	7.6
303.04993	27.9
315.04984	2.0
327.04706	0.7
334.66495	0.5
345.06015	1.9
395.07468	1.0
413.08725	1.7
417.58954	0.5
471.39752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13113	5.2
62.81970	6.2
64.34348	5.6
73.84110	5.6
77.51609	5.3
81.72279	5.3
85.02879	13.5
87.28272	5.5
93.03402	11.0
95.04908	7.1
97.02835	11.0
98.21551	17.7
98.25668	5.7
107.04932	16.4
109.02902	12.3
121.02864	16.9
123.04376	8.4
135.04410	9.9
147.04410	23.7
149.02361	7.4
151.03795	6.5
159.04390	9.0
159.55928	5.6
161.06006	7.5
165.01744	8.2
171.04379	6.6
173.06085	7.0
177.01807	14.8
187.03940	9.7
187.42184	5.9
189.01790	22.1
191.03403	16.1
195.02924	29.7
201.01706	7.1
201.05438	12.7
203.03403	10.8
205.01228	8.2
207.02890	50.3
215.03369	12.2
217.01338	5.9
219.02858	87.6
221.00793	6.7
223.02281	11.5
225.03889	31.4
229.05028	13.6
231.02934	33.5
233.04477	21.8
237.03923	20.8
243.02873	30.8
245.04376	12.5
249.03880	16.4
255.02715	7.2
255.83533	6.1
257.04401	14.7
261.03915	100.0
269.04611	12.1
271.05923	8.2
273.03998	35.4
275.05530	7.3
281.04291	7.4
285.03885	48.5
291.04977	23.9
297.03934	18.4
297.07529	11.2
299.05630	13.6
303.04959	39.5
305.02374	6.5
308.94580	6.9
309.03830	10.7
309.07333	9.6
314.50430	6.4
315.05106	15.5
321.06042	25.0
327.04953	45.7
327.08707	33.5
339.08270	44.6
345.06000	13.2
351.08536	21.1
357.06012	11.0
363.07028	49.5
369.05853	13.0
375.07080	7.6
376.46643	6.1
381.09769	36.8
387.07022	7.6
393.09589	33.1
405.08481	41.0
409.09348	6.7
411.10770	9.9
417.09528	11.1
423.09732	26.1
429.11533	28.1
441.10995	38.2
447.10602	26.3
459.13007	27.6
465.11874	12.0
477.11813	8.3
483.12466	9.0
495.12799	19.6
507.12573	8.6
525.14172	10.6
543.15118	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	596.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.1
55.05511	14.7
57.03424	7.6
67.05496	63.8
69.07051	11.7
69.48141	15.4
69.48561	10.3
71.04980	20.9
79.05491	34.6
81.07051	100.0
83.04976	5.2
83.08598	7.5
85.06531	5.9
90.78787	2.3
91.05477	32.9
93.07028	37.0
95.04950	6.1
95.08597	27.0
97.06483	4.7
97.10133	2.7
105.07064	15.7
107.08597	19.6
109.10139	9.4
117.07018	6.6
119.08550	8.6
121.10146	11.8
123.11687	10.4
131.08562	5.9
133.10097	16.1
135.11674	11.6
138.41196	2.5
145.10068	3.4
147.11691	3.3
149.13239	4.6
151.11148	6.8
159.11732	7.5
161.13237	3.0
190.54602	2.7
195.06483	3.2
213.07567	3.4
214.34879	2.6
217.64490	2.5
261.22379	3.3
299.12848	3.6
301.20108	13.3
335.25720	36.2
503.37289	90.5
504.38007	3.6
517.38599	3.8
525.23108	3.5
529.38782	4.0
561.41449	37.5
593.42737	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	596.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.0
53.05333	2.7
55.05516	15.1
57.03425	9.0
67.05501	58.7
69.07064	27.7
71.04970	4.0
71.08276	4.0
71.08635	7.8
77.33212	2.8
79.05483	44.8
81.03412	5.5
81.07050	100.0
83.01335	23.0
83.04960	14.9
83.08599	15.9
85.06527	3.8
87.76965	2.9
91.05467	46.0
93.06450	3.5
93.07037	58.7
95.04958	12.1
95.08600	24.8
97.06560	14.5
103.05447	8.7
105.07018	28.7
107.08585	30.2
109.06511	13.4
109.10136	6.4
111.08092	5.4
115.05464	4.1
117.07013	15.3
119.08566	14.6
121.06535	3.8
121.10149	16.5
123.08041	4.4
123.11794	3.7
125.06023	7.0
127.07504	18.5
131.04915	17.3
131.08553	12.3
133.10130	19.0
135.11687	13.4
145.10077	7.3
147.11617	5.3
149.06007	9.9
149.09581	5.6
149.13260	19.4
151.07504	8.6
152.04669	6.8
153.05406	5.3
157.10196	3.0
159.11681	12.0
163.11221	5.6
167.07133	4.0
169.08624	15.0
169.72455	3.0
177.05484	6.9
177.12759	6.4
179.14261	5.0
191.08551	5.2
195.06494	61.6
195.13824	8.1
213.07559	36.3
213.15001	4.2
219.08032	7.1
255.15771	6.2
257.18787	3.2
269.17480	48.5
275.20102	14.5
299.12762	64.0
336.26236	2.9
341.14063	4.7
341.26291	3.0
349.23651	9.9
429.16953	3.4
449.29053	14.3
463.30524	50.4
543.36700	10.3
561.37378	3.9
579.23718	4.2
597.25244	4.1
607.62195	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	596.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01865	3.1
55.05493	11.7
57.03418	8.2
67.05148	2.7
67.05496	42.5
69.03394	1.9
69.07056	17.4
69.64102	15.6
71.04981	5.0
79.05487	28.6
81.03400	3.4
81.07050	57.1
83.01337	9.8
83.04962	7.8
83.08599	7.2
85.06503	2.6
87.04932	2.2
91.05470	27.5
93.07035	39.5
95.04996	8.8
95.08601	21.2
97.06522	12.6
97.10091	1.9
99.08115	3.6
103.05456	2.7
105.07017	14.1
107.04912	3.0
107.08596	23.7
109.06487	7.3
109.10136	5.6
111.04423	2.3
111.08051	3.7
117.06978	9.5
119.08571	9.9
121.06480	3.2
121.10135	13.0
123.11691	2.3
125.05956	3.7
127.07565	9.6
129.06947	4.3
131.04910	7.0
131.08563	13.9
133.10091	11.4
135.11679	8.7
143.08525	2.2
145.10091	6.3
147.11667	4.6
149.06044	2.6
149.09586	6.5
149.13229	17.2
151.07515	4.8
152.04625	2.7
153.05394	3.5
157.10085	2.6
159.11716	9.6
161.13277	2.0
163.11142	4.1
167.07054	3.5
167.08513	2.1
169.08588	21.2
173.13191	2.3
176.75771	1.8
177.05400	3.7
177.12698	4.7
178.91237	2.1
179.14267	2.3
191.08488	2.2
195.06519	60.9
195.13770	10.2
208.21605	1.7
213.07576	31.6
213.14828	2.2
219.08035	5.6
237.07564	1.8
249.07635	8.3
255.15935	4.9
257.11807	2.9
257.18896	3.7
269.17444	36.4
275.20139	12.5
299.12747	100.0
341.13776	3.6
349.23608	10.1
387.15781	3.3
403.19336	2.4
429.17032	10.1
434.41763	2.0
449.28986	11.3
463.30505	37.8
543.37061	8.2
550.95563	2.2
561.38318	2.1
579.23383	6.3
596.23077	2.1
597.24866	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	595.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02380	0.4
53.03944	1.2
55.01860	0.1
55.05510	0.2
60.76079	0.1
64.79670	0.1
67.05506	0.3
68.99789	0.4
69.03436	0.4
69.68053	0.4
69.68472	0.6
70.07929	0.1
74.55247	0.1
77.03901	0.8
79.05502	0.4
79.80336	0.1
81.07060	0.6
83.01341	0.8
83.04970	0.5
83.93177	0.1
91.05470	0.9
91.30842	0.1
93.07072	0.2
95.04958	2.4
97.06535	0.2
102.04676	0.4
102.56365	0.1
103.05460	47.2
104.05785	0.3
105.03399	0.2
105.04508	0.4
105.07056	0.3
107.08586	0.2
109.06523	0.2
109.10184	0.2
115.05413	0.2
117.07061	0.2
119.08607	0.2
121.10162	0.2
125.05998	0.3
127.07583	0.2
128.06152	0.2
131.04916	100.0
132.05214	1.0
135.08005	0.2
137.09613	0.2
141.06865	0.1
144.08069	0.4
149.09564	0.3
151.03923	0.4
153.09030	0.2
155.04890	0.2
156.04256	0.2
158.07314	0.1
164.11940	0.4
165.09113	0.5
165.12494	0.1
167.07033	0.2
173.05980	2.3
177.05524	0.2
177.09129	0.4
177.12604	0.1
179.14299	8.1
180.14584	0.2
183.06503	0.2
191.07088	0.2
193.10194	0.2
195.06497	1.7
195.10194	0.4
205.08575	2.6
205.10448	0.2
211.06049	0.8
213.07539	0.4
217.04941	0.5
221.08121	0.5
221.67323	0.2
222.08922	0.1
223.09619	1.1
225.09151	0.1
244.73523	0.1
245.08061	0.2
247.13293	0.9
249.14890	0.2
255.10153	0.4
257.11646	0.2
265.14288	0.2
275.12692	0.4
279.10089	0.3
283.09595	0.2
293.13812	1.6
297.11060	0.7
298.11935	0.8
299.12750	1.8
309.14789	0.4
315.12231	0.2
335.14938	0.2
353.13641	0.2
361.12796	0.5
377.17395	0.1
379.19012	8.8
380.19180	0.2
405.16946	0.2
419.18619	0.2
427.15274	0.3
447.18005	7.9
465.19067	7.4
465.24451	0.1
491.16821	0.2
577.22278	0.7
595.23273	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	595.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03934	1.0
53.36462	0.3
55.01862	0.8
55.05507	1.4
55.22631	0.3
56.07089	0.3
57.03431	0.6
63.02368	0.3
65.03929	1.0
65.73563	0.3
67.05505	2.7
68.99786	0.8
69.03429	2.8
69.07065	0.8
70.50587	0.3
70.50923	1.0
71.04984	0.7
77.03941	0.3
79.05485	2.3
81.03430	1.6
81.07053	4.2
83.01336	4.0
83.04994	2.1
83.08616	0.6
85.06538	0.3
91.05473	19.2
93.07053	2.0
95.04962	2.9
95.08600	0.7
97.02865	0.6
97.06535	1.0
98.21320	0.3
99.04443	1.7
99.08103	0.3
103.05461	10.2
105.03387	9.3
105.04462	0.4
105.07029	2.5
107.04948	0.8
107.08603	0.8
109.06499	1.6
109.10160	0.5
111.04458	0.6
111.08050	0.5
113.05996	0.4
115.05450	10.5
117.07022	1.3
118.97283	0.3
119.08568	0.9
121.06506	1.2
121.10131	0.4
123.04434	1.7
123.08066	1.3
125.05981	2.8
127.03925	0.9
127.07536	0.5
128.06203	1.4
129.06976	2.5
131.04918	31.8
131.08551	0.7
133.06485	0.4
135.08041	0.3
136.66158	0.3
137.05978	1.8
137.09671	0.3
139.03909	0.5
139.05336	0.3
139.07553	1.1
141.05457	1.4
141.06993	1.8
143.04970	0.3
143.07048	1.0
143.08559	0.7
145.06499	1.0
145.10114	0.3
147.04362	0.4
147.11720	0.5
149.02325	0.8
149.06001	1.6
149.13206	0.6
151.03906	4.1
151.07523	1.6
153.01828	0.5
153.06978	0.5
155.04912	2.5
155.06082	0.7
155.08569	1.0
156.05656	0.9
157.06509	0.9
158.07333	0.4
165.05507	2.0
165.07025	1.1
165.12804	0.4
166.07790	0.4
167.07048	2.6
167.08568	1.7
169.04910	0.4
169.06439	0.6
169.08609	2.6
169.10095	0.8
171.04478	0.5
173.05980	3.8
173.09612	0.3
175.03920	0.7
177.05438	0.7
178.07767	3.5
179.04953	0.5
179.07082	0.5
179.08464	1.4
181.06509	1.0
183.04417	2.6
183.06447	0.7
183.08055	1.0
183.11719	0.6
185.04475	0.7
185.06032	1.1
190.07820	0.8
191.06924	0.4
191.08533	3.6
192.09285	0.4
193.05003	1.7
193.10118	16.6
194.10614	0.6
195.06505	0.9
195.08105	0.7
195.11690	0.4
196.08841	0.6
197.05986	0.8
197.09648	1.3
199.07526	0.6
201.05489	3.2
202.07777	7.6
203.08513	2.3
204.09296	1.3
205.10135	3.4
207.06409	0.4
207.08148	0.7
207.11646	0.5
209.06020	1.3
209.09665	0.7
211.05992	4.0
211.07594	0.4
211.11215	0.6
213.07262	0.4
213.09137	0.6
214.09885	1.5
215.08582	6.0
215.10703	2.7
216.09338	2.1
217.10107	8.1
218.07329	0.6
218.10889	1.2
219.08124	1.1
219.11652	2.3
221.09654	0.6
223.07567	0.8
223.11230	0.8
224.08398	0.3
225.05525	1.0
228.09329	0.7
229.10216	1.1
231.08038	2.6
231.11745	0.4
232.08929	0.5
233.09616	4.5
234.10378	2.2
235.07692	0.5
235.11200	1.2
237.09207	0.3
238.09935	0.5
239.08614	0.6
239.10706	2.2
240.09341	0.4
241.04977	0.4
241.10208	1.1
243.08064	0.7
243.11807	0.4
244.08891	0.5
245.09711	2.0
247.11163	0.6
249.09102	0.7
251.07076	1.0
251.10658	1.4
253.10181	0.4
253.12411	0.6
255.11772	0.7
256.08826	0.4
257.09570	1.0
257.11813	3.4
259.07626	1.0
259.11160	1.0
261.09149	5.8
261.12729	1.0
263.10938	0.4
265.10101	0.8
268.08789	0.4
269.09631	0.8
269.17542	0.4
275.10748	0.6
277.08569	1.0
279.06998	0.5
279.10117	10.2
281.08170	2.4
281.11420	0.4
283.11182	0.8
285.09085	1.4
287.10693	1.2
289.08661	2.8
289.11899	0.5
291.10397	0.6
292.10919	3.3
293.08185	0.7
293.11841	1.2
294.12567	0.3
295.10565	0.3
296.10477	0.4
297.08551	0.4
297.11450	0.9
301.12296	0.9
303.10223	0.6
305.08267	0.4
306.08835	0.4
307.09799	1.0
307.13284	7.1
311.10703	1.3
311.14374	2.0
313.08673	0.3
313.12088	0.5
315.10147	1.3
321.11151	2.2
325.12341	0.5
329.11752	2.5
331.09836	0.5
332.32336	0.3
335.14429	0.4
338.13034	0.3
339.12350	10.8
341.11566	0.4
349.11954	0.4
351.12393	0.5
353.15259	0.6
356.14130	0.9
357.11133	1.8
357.14841	1.9
365.15356	1.0
366.12491	0.5
367.13263	9.0
368.13904	0.5
369.11188	3.6
369.15024	1.6
381.15009	2.5
383.16583	2.1
384.13602	2.7
384.16550	0.4
385.14172	3.9
385.18112	7.6
388.87091	0.4
391.13248	0.9
409.14304	3.3
411.16068	0.5
427.15384	34.9
428.16180	2.2
429.13193	0.4
433.29587	0.5
442.14011	0.4
449.39218	0.3
453.16754	0.6
457.16635	0.8
461.16113	0.8
484.14966	0.3
499.17477	2.7
507.18002	0.5
511.87729	0.3
517.18756	1.4
519.17932	0.6
535.21436	1.3
577.22144	10.6
578.22375	0.5
595.23236	100.0
596.23169	1.9
613.18048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05514	1.1
60.51845	0.6
65.03915	1.0
67.05493	1.7
68.99767	0.8
69.03419	2.4
69.07039	0.6
70.85487	1.7
71.04983	0.9
77.44452	0.5
79.05490	1.7
81.03407	1.3
81.07063	3.1
83.01338	2.3
83.04973	1.5
85.02867	0.7
91.05475	18.0
93.07047	1.6
95.04960	2.4
95.08536	0.5
97.06529	0.6
99.04466	1.3
103.05463	9.1
105.03388	7.1
105.07045	1.8
107.04979	0.6
109.06516	1.5
109.10159	0.5
109.64199	0.5
111.06218	0.5
111.35334	0.5
115.05438	9.4
117.07009	1.4
119.04919	0.5
119.08577	0.5
121.06495	1.3
123.04440	1.1
123.08094	0.9
125.06013	2.8
127.03934	0.7
128.06239	1.4
129.07002	1.6
131.04916	27.8
131.08571	0.6
137.06013	1.6
139.03999	0.6
139.05434	0.6
139.07559	0.6
141.05472	1.0
141.06995	1.4
143.07051	0.7
145.06436	0.9
149.05986	1.0
151.03952	3.5
151.07576	1.4
153.07027	0.6
153.96175	0.5
155.04922	1.1
156.05692	0.7
157.02892	0.5
165.05504	1.5
165.06963	0.8
167.07074	1.8
167.08609	0.9
169.08623	1.5
169.10057	0.5
171.04483	0.7
173.05995	3.6
178.07791	3.3
179.07127	0.6
179.08575	1.3
181.06633	0.7
183.04439	2.1
183.08136	0.9
185.06021	0.6
190.07733	1.0
191.08543	4.1
193.04974	0.7
193.10118	14.9
195.08078	0.7
197.09650	1.0
199.07576	0.6
201.05457	2.2
202.07739	7.5
203.08574	2.1
204.09453	1.3
205.10136	4.0
207.08142	0.7
209.05991	0.9
211.05948	3.4
211.07686	0.5
214.09824	1.2
215.08582	5.3
215.10762	1.9
216.09340	2.3
217.10118	6.7
218.10919	1.5
219.08154	1.4
219.11674	3.1
223.11166	0.7
225.05522	0.8
229.10179	0.7
231.08121	1.3
233.09644	4.1
234.10384	0.9
235.11186	0.7
239.10718	2.3
241.10236	1.0
245.09654	1.7
251.07178	0.6
251.10727	0.9
254.10921	0.8
257.09467	0.6
257.11722	3.0
259.07654	1.0
261.09161	5.2
261.12778	1.0
263.10770	0.8
265.09933	0.6
277.08557	0.8
279.10074	8.8
281.08105	1.9
281.11377	0.7
283.11353	1.0
285.09177	0.9
287.10593	1.3
289.08578	2.5
290.28937	0.7
292.10760	3.2
293.08066	0.7
293.11728	0.8
301.12122	0.8
303.10114	1.1
307.10040	0.9
307.13293	5.0
308.81781	0.6
311.10770	1.1
311.14313	1.8
315.10052	1.2
321.11465	1.1
329.11734	2.5
339.12296	10.5
349.11862	0.7
353.15320	0.8
356.14291	1.4
357.11218	1.5
357.15033	1.3
365.15652	0.8
366.12436	0.7
367.13290	8.7
369.11209	2.5
369.15137	1.0
370.15567	0.9
381.14969	2.1
383.16458	2.4
384.13547	2.3
385.13629	4.9
385.18469	6.5
391.13422	0.8
409.14340	3.9
427.15381	34.8
428.16260	1.8
457.16205	1.1
499.17569	3.1
517.18555	1.8
535.21277	0.8
577.22223	11.3
595.23242	100.0
596.23480	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	595.1654
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.05492	1.9
57.03434	13.6
59.49575	1.9
68.99766	2.1
69.03428	14.4
69.54653	8.5
69.55083	9.9
71.04990	84.2
73.02912	11.9
74.17044	1.6
75.04475	3.4
81.03398	2.9
83.04979	9.4
85.02901	83.9
87.04444	2.5
99.04438	7.0
109.02837	2.1
111.00853	1.8
111.04440	4.4
113.05940	2.0
117.05470	7.6
127.03900	3.5
129.05475	30.7
130.61543	1.8
137.02322	17.0
147.06508	5.6
153.01801	4.7
153.05458	2.4
163.06001	9.9
180.67567	2.1
201.05464	1.9
213.05582	2.3
229.04987	4.1
257.04425	2.3
263.05466	2.6
287.05487	32.8
299.05505	5.1
302.04364	2.4
303.04993	100.0
315.04947	26.0
316.05780	4.4
327.05069	6.8
329.06659	3.3
341.06595	5.2
345.06024	48.6
345.10217	2.6
353.06381	3.5
357.06149	2.0
357.73929	1.9
367.07996	3.7
369.06076	18.6
395.07486	14.3
413.08612	32.8
431.09753	20.3
449.10739	46.3
595.16187	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70230	0.5
51.58521	0.4
55.05513	2.4
65.03931	1.5
69.03424	6.7
70.19784	2.6
71.01333	1.2
71.01699	0.4
71.04971	0.5
76.28447	0.4
79.05475	0.6
83.04519	0.6
83.04973	8.4
85.02864	0.7
90.69904	0.5
91.05467	8.4
95.04955	1.8
98.20671	0.6
107.04972	2.7
111.04435	5.6
119.04934	20.6
121.02892	0.7
123.04417	0.7
129.05460	0.9
137.02371	1.0
145.06528	0.5
147.04398	100.0
148.04605	1.0
148.94972	0.4
152.06189	0.5
153.01840	0.6
155.94844	0.4
165.01823	0.6
167.08295	0.5
169.04938	1.0
173.06000	1.5
187.07466	1.1
195.07993	0.6
197.06000	0.6
213.09106	2.1
215.06917	0.6
229.04967	1.1
229.08664	0.5
257.08093	0.8
293.10187	11.9
303.04968	13.1
315.04840	0.9
319.61252	0.5
345.06030	1.4
395.07602	1.0
426.12567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40036	0.5
55.05498	1.5
65.03929	1.0
67.05487	0.5
69.03421	6.6
69.57549	4.3
71.01354	0.8
79.90162	0.5
83.04979	5.1
85.02884	1.1
91.05473	9.5
95.04949	0.7
98.20707	1.1
107.04928	1.0
111.04438	4.3
119.04932	25.6
123.04364	1.1
129.05429	1.0
137.02287	1.4
147.04395	100.0
148.04727	0.8
153.01819	1.7
165.05498	0.6
187.07480	0.8
191.03276	0.5
197.05975	1.1
211.07561	0.6
215.07060	1.4
216.09682	0.5
257.04437	1.0
274.07803	0.5
293.10138	8.4
303.04977	15.1
315.05038	1.8
327.04620	0.6
345.06009	2.3
395.07770	1.0
413.08652	1.6
413.47702	0.6
430.21661	0.5
576.27789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54823	0.5
53.03926	1.8
55.01857	1.0
55.05491	2.6
57.03429	1.0
59.04989	1.0
61.02928	0.5
65.03924	2.1
67.05495	2.1
68.99780	1.3
69.03418	2.7
70.37762	2.5
71.01335	2.1
71.04984	13.7
77.03914	0.9
79.05476	2.0
81.03399	2.0
81.07045	2.6
83.04957	7.4
85.02882	5.4
87.04453	1.2
91.05460	10.8
92.02598	1.1
93.03392	2.0
93.07048	2.6
95.04957	22.2
95.08586	0.7
103.05455	3.4
105.04494	0.6
105.07012	1.2
107.04947	8.7
107.08564	0.6
109.02850	0.6
109.06512	1.2
111.00781	0.7
111.04440	3.9
117.06989	0.6
119.04931	31.1
119.08572	0.7
120.05704	2.9
121.02843	3.0
121.06464	3.5
121.10160	0.7
123.04414	46.1
129.05473	2.3
129.06937	0.6
131.04895	2.5
135.04446	0.7
137.02333	4.6
137.05952	4.6
139.03874	1.3
145.06493	1.0
147.04387	21.4
147.11800	0.6
149.05949	0.9
151.03778	0.6
153.01814	15.7
161.05983	1.1
163.03889	1.3
164.54529	0.6
165.01817	3.0
165.05460	34.1
167.07030	1.0
173.06013	0.8
181.04921	2.2
183.02840	1.2
189.05437	1.3
191.03337	0.7
193.01552	0.6
200.04832	0.5
201.05450	2.5
203.03372	1.6
205.04918	0.8
217.04948	9.1
218.05661	0.8
219.02928	1.1
228.04076	2.3
229.04964	6.2
231.02806	1.3
245.04422	10.3
246.05136	1.3
247.06090	0.9
257.04413	4.3
273.03897	10.7
274.04688	3.9
285.03903	3.3
287.05518	1.0
301.03409	28.4
302.04172	18.9
302.06784	0.4
303.04959	100.0
304.05362	1.0
315.05301	0.7
327.04861	2.8
343.04434	1.3
385.12872	1.3
395.07629	0.7
416.14624	1.8
421.09131	18.6
449.08652	12.8
467.09677	36.1
468.09927	0.8
535.11829	0.9
559.12268	1.0
595.14453	14.4
595.33087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
68.99792	8.6
81.03400	2.4
98.20601	3.7
109.02829	2.7
111.00803	12.8
119.04858	2.8
119.65731	1.6
121.02879	2.5
123.04411	32.7
125.35053	2.0
127.03898	100.0
131.04918	2.2
131.97365	1.8
133.02879	2.8
135.04366	4.3
139.03877	83.4
147.04384	12.8
149.02319	4.4
149.05988	1.8
151.03894	25.6
153.01802	5.6
159.04399	3.0
161.05963	2.9
163.03891	10.5
165.05447	7.1
167.03377	6.5
171.04408	2.1
175.03891	18.8
177.05470	7.9
179.03354	38.1
181.04938	1.6
189.05424	3.1
191.03374	15.1
193.04932	3.2
199.03935	2.7
201.05490	7.0
203.03387	30.1
205.04865	11.2
207.06413	1.8
213.05357	5.7
217.04996	2.9
223.02155	1.7
229.04956	9.8
230.05061	2.8
231.06474	4.0
233.04431	8.3
241.05118	3.0
245.04349	12.3
251.05373	2.1
257.04401	18.5
259.05884	2.8
260.60150	1.8
263.05481	14.4
269.04315	7.5
271.05975	3.6
275.05453	31.2
287.05490	62.9
291.08734	12.2
299.05447	19.7
302.72336	1.8
305.06519	6.4
317.06509	13.8
389.06290	2.1
407.07608	23.9
409.09061	7.2
425.08658	30.3
427.10239	4.9
443.09668	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00876	0.6
69.38777	6.7
69.39170	1.0
72.18805	0.6
94.98969	0.6
113.58252	0.5
117.67393	0.6
185.04132	2.9
187.73337	0.6
203.05278	8.3
236.60251	0.7
253.00844	100.0
254.01126	1.6
280.74216	0.7
313.01660	6.4
331.02747	5.9
365.10532	21.4
373.03912	1.0
381.07886	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	595.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	2.4
65.03848	1.0
67.01777	0.4
67.05395	0.5
68.99686	12.1
69.00097	1.7
69.03366	0.5
71.70864	0.4
71.71297	0.4
77.03871	0.4
79.01758	0.9
79.05375	1.5
81.03347	0.7
85.06843	0.4
85.78886	0.3
89.03799	1.2
91.05353	1.4
93.03310	0.5
93.06914	1.1
95.01225	0.4
95.04847	1.3
97.02761	0.6
97.15091	0.3
103.05387	0.7
103.50632	0.3
105.03284	0.9
107.04942	2.6
109.02805	0.9
111.00790	15.3
111.01492	0.9
111.04326	0.9
115.05360	0.8
117.03310	0.8
117.06881	1.0
119.04958	1.9
121.02846	5.3
121.06387	1.0
123.04422	6.4
125.02251	0.8
127.03909	9.2
127.04751	0.6
131.04912	3.1
133.02850	2.7
135.04396	9.1
137.02332	4.2
137.05920	1.7
139.03888	24.7
139.04947	0.9
140.04146	0.5
141.01671	0.4
143.03241	1.0
143.04715	0.5
145.02682	1.6
145.06349	1.3
147.04391	6.9
149.02315	4.7
149.05963	7.5
151.03899	2.5
153.01825	7.7
153.02943	0.3
153.05449	3.3
155.04785	1.3
157.06374	0.7
159.04373	3.4
161.02231	0.9
161.05829	1.3
163.03883	21.5
165.01794	0.7
165.05440	5.8
167.03389	16.3
171.04272	1.2
173.02200	0.5
173.05977	2.0
175.03911	3.7
176.04584	0.6
177.00430	0.4
177.01822	5.9
177.05444	9.9
178.02225	0.4
179.03378	24.2
179.06816	1.6
180.03616	0.5
181.01213	0.6
181.04906	0.9
181.06322	0.4
183.04292	1.4
185.05853	1.2
187.02449	0.3
187.03868	3.7
189.05440	2.9
191.03371	25.0
192.03673	0.4
195.06435	0.4
197.05865	0.7
199.03806	0.8
200.04611	0.5
201.05440	12.2
202.05896	0.4
203.03374	22.0
204.03676	0.7
205.01190	2.5
205.04938	28.8
206.05251	0.6
211.03941	1.8
213.05411	3.3
215.03334	2.1
216.04042	0.4
217.04842	1.3
221.04233	0.5
221.06050	0.6
223.02341	15.6
227.03214	1.0
229.04929	16.3
230.05348	0.8
231.02863	3.4
231.06311	1.8
233.04407	13.5
237.05374	0.4
241.04883	1.3
242.05492	0.5
243.06483	0.4
245.04422	20.5
247.02296	2.8
247.05899	3.3
249.03683	4.3
251.05434	5.0
253.04895	1.5
255.06406	0.8
257.04428	27.5
258.04932	1.6
259.05933	0.8
261.03793	1.2
263.05411	10.0
265.08411	0.5
267.06458	1.0
269.04431	10.9
271.05951	2.5
273.03723	0.6
275.05472	29.2
277.04785	1.2
277.07993	0.4
279.06299	0.9
281.04465	2.7
282.05103	0.5
283.05988	0.6
285.03860	0.5
287.05444	26.0
288.05576	0.6
289.06927	0.9
291.06284	0.7
295.05954	5.3
297.07596	3.9
299.05435	3.0
301.06995	1.2
305.04333	1.5
305.07748	0.6
307.08099	0.4
309.07593	0.5
317.08069	1.8
319.05878	1.5
320.06497	0.4
321.07501	3.4
323.05487	13.4
323.09039	0.9
324.05658	0.6
333.07669	2.7
337.06940	0.7
339.08545	1.1
341.06537	2.1
343.06049	0.6
345.07458	0.6
347.05432	0.8
351.08652	0.8
361.07040	6.6
363.08514	1.0
365.06549	4.0
379.07941	1.2
381.09885	0.5
383.07486	1.1
389.01456	0.4
389.06509	9.0
390.06854	0.5
407.07578	100.0
408.07974	4.5
409.09171	0.7
425.08643	47.0
426.08844	2.0
427.09671	0.5
443.09772	2.4
451.49078	0.4
595.11383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07680	2.6
53.95158	2.0
55.01862	3.2
55.05505	19.9
57.03439	10.3
57.27013	2.2
60.71863	1.9
67.05498	30.9
69.03415	3.1
69.07053	7.2
71.04974	3.6
71.71321	3.2
71.93980	2.1
72.81202	2.0
79.05482	26.2
81.03410	54.9
81.07044	30.8
83.04971	8.7
83.08621	14.0
85.02885	2.8
85.06532	2.3
91.05450	24.9
92.22131	2.1
93.07014	24.5
93.07523	2.5
95.04962	24.1
95.08588	8.2
97.02879	3.2
97.06526	5.9
97.10159	16.5
103.05470	2.5
105.07007	16.1
107.04938	14.5
107.08585	17.1
109.06475	11.4
109.10142	6.7
111.04452	2.7
111.08090	2.9
117.06993	5.6
119.08537	14.7
121.06507	8.9
121.10130	10.1
123.04431	2.4
123.08054	6.2
125.09618	11.4
128.06166	2.1
129.06995	7.7
129.61574	2.2
131.08536	12.6
133.06512	4.9
133.10118	7.5
135.08057	6.3
135.11711	4.9
143.08508	2.9
145.06454	6.4
145.10098	3.9
147.04428	4.3
147.08043	4.7
147.11699	7.1
149.09671	5.3
157.10138	7.2
159.11662	2.9
161.09520	2.5
163.11230	3.8
169.10074	2.7
171.08110	2.7
171.11610	2.9
173.09631	2.6
175.11166	6.6
184.07259	2.9
189.11221	6.2
193.12196	14.7
197.13216	2.5
199.11249	2.4
199.13200	2.5
201.12764	2.5
211.13257	2.5
215.14442	2.9
219.13831	5.0
227.12566	2.8
233.15222	3.4
267.15854	35.5
273.14853	4.4
275.66910	2.2
278.84299	2.4
339.23090	3.5
349.21472	3.9
367.22708	18.5
385.23618	29.9
403.24667	9.7
441.26367	8.5
459.27353	100.0
460.28168	2.4
477.28427	78.5
491.30185	10.6
509.31079	5.2
510.87787	2.3
525.02686	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.6
55.01879	7.7
55.05246	1.6
55.05506	28.9
57.03431	12.1
57.07064	2.8
60.72831	1.3
65.03926	4.3
67.05499	69.4
69.03421	17.6
69.06697	1.7
69.07063	23.4
69.88242	1.5
71.01347	4.2
71.04989	10.1
71.72334	2.1
72.02372	1.2
73.68468	1.3
79.05483	64.1
81.03410	73.2
81.07050	70.2
83.04974	18.6
83.08619	11.1
84.34012	1.3
85.02877	8.4
85.06530	6.2
91.05465	47.1
93.07035	74.0
95.04952	17.6
95.08601	20.5
97.02872	9.7
97.06527	18.6
97.09668	1.3
97.10150	7.8
99.04452	5.9
99.08063	4.6
103.05474	2.3
105.07014	20.7
105.54671	1.4
107.04921	7.8
107.07845	2.2
107.08582	38.1
109.02873	10.8
109.06519	4.5
109.10162	8.2
111.04412	8.7
111.08053	5.2
111.77372	1.5
113.05994	1.8
117.07011	13.3
119.04916	1.8
119.08566	15.2
121.06516	4.6
121.10117	15.6
123.04381	1.7
123.08087	4.0
123.11686	5.1
125.09625	3.3
127.03897	8.3
129.06998	5.5
131.04951	2.9
131.08551	10.5
133.06517	2.1
133.10124	12.3
135.08041	4.1
135.11678	41.4
136.64249	1.4
137.05951	1.9
137.09573	2.4
143.08565	4.3
145.06473	1.8
145.10133	13.2
147.08064	3.5
147.11697	9.5
149.09654	4.3
149.13252	11.4
151.11185	2.3
155.08600	3.1
157.10098	3.7
159.11716	9.4
161.09599	2.5
163.11192	8.7
165.12717	3.5
169.10132	2.5
173.13188	1.6
175.11227	2.6
177.12752	5.4
179.14401	1.5
181.12262	12.0
183.06575	2.0
183.11732	2.4
193.12225	3.7
195.13753	13.5
197.13293	2.3
200.02751	1.5
211.13318	4.4
213.14810	4.0
253.14281	2.3
255.15875	9.3
261.14859	1.6
267.15982	6.2
269.17545	4.5
273.18491	6.0
275.20016	2.9
283.15436	1.9
285.16800	3.4
291.19458	3.5
321.16895	4.0
325.16183	1.8
339.17996	14.2
381.19086	2.4
395.20563	9.5
449.29004	11.7
557.33447	2.4
575.35907	2.9
593.33081	100.0
594.33649	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	593.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01862	3.9
55.05497	6.2
55.97640	1.0
57.03428	12.9
57.07057	1.3
61.02921	29.9
65.03938	1.7
66.50597	1.0
67.05501	29.2
68.99755	1.7
69.03423	15.4
69.07057	8.3
70.06593	1.5
71.01347	1.6
71.04991	5.8
71.71220	1.8
73.02917	9.7
79.05490	17.6
81.03411	13.5
81.06554	1.8
81.07046	38.5
83.04971	7.1
83.08618	8.0
85.02898	39.0
85.06539	2.7
87.04432	1.2
91.03950	19.5
91.05435	9.5
93.07038	28.3
95.04951	3.8
95.08601	15.1
97.02884	33.1
97.06529	6.1
97.07037	0.9
97.72633	1.1
99.04443	5.0
99.08077	3.6
101.02373	2.6
103.03944	3.0
105.07040	3.2
107.04940	2.3
107.08588	17.6
109.02856	9.5
109.06489	2.1
109.10139	4.2
111.00806	2.4
111.04442	3.1
111.08063	4.4
115.03916	1.7
117.07005	5.2
119.08588	2.8
121.02834	1.4
121.06551	1.2
121.10124	10.5
123.04424	3.8
123.11680	4.0
127.03895	17.5
129.05464	2.2
131.08534	6.5
133.10107	7.6
135.04333	1.8
135.08057	1.5
135.11670	6.4
139.03886	100.0
145.04938	9.3
145.10164	1.6
147.11662	1.6
149.13237	27.8
151.03880	4.9
151.11154	2.1
153.01793	2.0
159.11676	12.3
163.03894	9.6
163.06058	2.5
165.05493	1.3
177.12744	9.8
183.06551	6.0
183.07950	1.4
195.13783	25.5
201.07559	4.1
205.04976	4.5
213.14824	4.4
215.17943	3.3
233.18875	2.1
244.09534	2.8
251.20000	9.3
267.15814	1.3
269.17468	86.8
269.21017	10.0
273.03946	4.8
287.22122	4.6
289.07050	17.6
293.17087	1.3
297.16803	2.5
311.18610	5.5
319.04724	1.8
325.12225	8.4
325.62573	2.2
327.17908	1.6
353.19720	1.5
377.19623	4.3
395.20566	3.6
413.21695	12.9
421.73288	1.2
487.84348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99427	0.2
61.98423	0.2
64.30600	0.3
68.27923	0.3
69.87279	1.5
71.08540	0.2
74.90829	0.2
100.42059	0.2
117.58212	0.2
145.81847	0.2
210.73210	0.2
389.17288	0.2
401.17740	0.3
402.18579	0.4
403.19211	0.7
404.19781	0.5
405.21054	0.3
417.21280	1.1
418.21622	0.4
419.22275	0.9
430.17520	0.3
431.18231	4.6
432.19449	1.0
433.23987	7.5
434.24426	1.4
445.19626	3.2
446.20605	3.4
447.21558	5.0
447.26459	0.4
448.22150	0.3
449.23468	0.5
459.21536	2.9
460.22522	20.2
461.23212	18.1
462.23654	0.9
463.20847	0.4
473.23410	3.0
474.24115	1.5
476.25867	2.5
477.21600	0.4
477.26587	1.1
487.25015	2.1
489.27090	1.5
491.24246	1.0
492.25424	2.1
493.25702	0.5
504.21695	0.2
504.25369	0.5
505.21707	7.2
515.24426	0.6
518.22900	1.5
519.23615	1.4
520.17236	0.3
533.25452	70.5
534.25702	2.1
547.26935	0.9
549.21466	0.5
550.25812	0.3
561.24786	0.7
564.23627	0.9
565.28156	1.8
575.26318	0.4
578.24854	0.4
593.27527	100.0
594.27747	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	593.2751
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.02223	0.6
62.74424	0.5
67.87683	0.6
69.71626	4.0
79.71207	0.5
82.91733	0.6
98.20697	0.8
169.22842	0.5
174.02965	0.5
178.81308	0.6
322.99112	0.6
335.81079	0.6
389.17419	0.9
401.17361	0.7
402.18869	1.3
403.19110	2.8
404.19824	0.8
405.20660	2.0
416.20230	0.8
417.16098	0.7
417.21143	4.2
418.21487	2.3
419.22281	2.9
430.17117	0.9
431.18265	8.5
432.19336	2.4
433.24304	6.1
434.24600	0.8
445.19882	8.4
446.20605	5.4
447.21466	5.6
459.21613	4.1
460.22525	14.6
461.23279	13.6
463.21548	0.8
473.23868	2.9
474.23462	0.7
487.25024	1.7
489.26654	1.3
491.24768	0.8
492.25153	2.3
505.21875	7.9
512.02002	0.7
518.23419	0.9
519.23993	1.0
525.07263	0.8
533.25439	31.9
534.25897	1.4
564.23120	0.7
575.26373	0.8
593.27521	100.0
594.27557	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	593.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01858	3.2
55.05500	16.8
57.03421	4.4
59.04995	2.1
62.83615	1.6
62.83932	1.6
63.18238	1.4
65.03930	2.5
67.05499	30.4
68.99784	6.5
69.03433	22.0
69.07064	8.0
71.04980	6.9
77.86134	1.9
79.05482	22.9
80.82751	1.7
81.03416	18.7
81.07055	26.3
83.01332	3.8
83.04974	69.3
83.08617	4.2
85.02910	2.6
85.06515	3.5
91.05473	80.0
93.07033	22.0
95.04962	14.3
95.08599	7.6
97.02886	5.7
97.06532	9.7
99.04444	5.1
101.06037	3.6
103.05488	4.4
105.03384	52.1
105.07022	10.6
107.04952	2.2
107.08568	12.8
109.02847	4.1
109.06497	6.0
109.10136	5.6
111.04413	1.9
111.08054	2.2
113.06000	2.2
115.05418	12.6
117.07027	7.2
119.08570	6.0
121.06485	7.9
121.10132	6.4
123.04429	2.9
123.11624	2.6
125.05983	51.5
127.03912	5.3
128.06206	3.5
129.06993	4.0
131.04964	3.3
131.08583	6.7
133.10127	6.5
134.92294	1.9
135.04361	3.1
135.08058	2.2
135.11708	11.6
137.05977	2.4
139.07527	8.0
141.05447	8.2
141.06973	2.3
143.07031	10.8
145.06508	1.9
145.10080	1.9
147.08049	1.8
147.11668	2.3
149.05959	2.7
149.09552	2.3
149.13231	3.8
151.03897	5.7
151.11122	1.9
152.06207	5.6
153.07005	4.0
159.11658	2.7
161.05969	2.4
163.11145	3.6
165.05475	4.6
165.06987	9.8
167.07047	7.9
167.08542	45.3
169.04964	2.3
176.72878	1.7
177.05463	1.9
177.12651	2.0
178.07780	6.8
179.08542	6.3
181.06520	2.4
181.12181	2.3
183.06575	3.2
183.08055	8.1
189.07069	2.2
190.07716	2.8
191.06990	6.3
191.08582	10.6
193.04941	2.2
193.06577	3.0
193.12210	2.1
195.06433	3.9
195.08122	2.7
195.13788	2.9
202.07736	8.5
203.08586	16.4
204.09322	3.5
205.06505	3.3
205.10146	4.9
207.06380	2.8
209.09497	2.0
211.05969	9.8
215.08563	16.5
216.09320	3.1
216.86601	1.6
217.10214	10.7
219.08026	4.2
223.07597	1.9
225.09047	1.9
226.07779	6.7
227.08647	3.2
228.09282	11.9
229.10139	19.3
229.92294	2.1
231.08060	24.2
233.09602	3.0
235.07591	3.5
239.08588	12.9
239.10690	2.9
240.09392	8.7
241.10109	17.6
242.10942	3.1
243.08134	2.6
243.11700	8.4
245.09647	5.7
246.10226	3.6
247.07497	2.3
249.09131	2.0
252.09344	22.8
253.10104	11.9
254.10843	7.0
255.08014	28.4
255.11644	4.6
255.15883	2.9
256.08575	3.2
257.09619	13.1
258.10471	6.4
259.11221	4.7
263.08325	2.2
263.10791	2.4
264.09326	3.8
265.10159	19.2
266.10815	10.5
267.08243	2.0
267.11703	11.8
268.08841	8.1
268.12128	1.7
269.09589	19.4
269.13336	2.7
269.17392	2.1
270.10452	2.6
271.07742	3.2
271.11209	7.9
273.09082	11.5
276.09286	4.2
277.10135	3.4
278.11020	8.9
279.11746	19.8
280.12418	7.1
281.09610	8.7
281.13199	5.7
282.10342	3.0
283.07724	3.1
283.11163	11.0
283.14563	1.9
284.08240	5.8
285.09119	10.4
285.12708	11.8
287.10687	5.4
289.10037	7.5
290.10828	2.9
291.11673	8.4
292.12427	2.8
293.09546	6.1
293.13184	9.8
294.10373	4.5
294.14014	4.6
295.07806	2.9
295.11197	31.5
295.14737	5.2
296.11957	6.2
297.09128	8.8
297.12781	6.3
299.07114	2.7
299.10602	2.3
301.12201	4.4
302.10849	3.9
303.11646	7.2
304.12396	6.4
305.09604	3.4
305.13132	5.0
306.10327	4.5
306.13824	3.5
307.11301	9.4
307.14435	2.5
308.11874	6.1
309.09024	4.4
309.12680	7.4
309.16254	3.9
310.09827	3.9
311.10699	23.7
311.14090	3.2
313.08691	8.0
313.12219	5.9
313.15646	2.8
317.13132	2.3
318.10297	4.4
319.11142	6.4
319.14703	2.3
320.11911	4.8
321.09103	4.3
321.12653	11.9
322.10016	2.7
322.13498	12.1
323.10602	8.4
323.14282	10.6
324.11414	5.4
325.08606	3.3
325.12207	9.7
327.09937	2.3
329.12296	2.3
331.11032	3.2
332.11893	5.1
333.09027	2.5
333.12695	4.6
334.13242	3.1
335.10583	6.9
335.14307	4.3
336.11203	2.5
337.08585	2.6
337.12115	10.3
337.15912	6.8
338.09320	2.1
338.12860	3.9
339.10190	10.4
339.13882	12.9
339.17688	3.7
340.14609	3.5
341.15289	9.5
345.12747	3.0
347.10489	4.2
347.14331	13.0
348.11292	2.8
349.12164	9.9
350.12967	4.7
351.10132	5.9
351.14026	3.3
353.11688	29.7
353.15546	2.4
355.09698	2.0
355.17126	2.9
359.10214	2.1
359.14282	2.3
361.12051	5.2
362.12756	3.2
363.09988	4.8
363.13788	7.8
365.11530	7.6
365.15366	39.9
367.09509	2.2
367.13345	20.3
373.11975	3.3
374.12784	2.6
375.13940	2.8
377.11148	2.8
377.15506	3.5
379.13303	7.5
381.11014	5.7
381.15121	26.0
382.15598	4.6
383.12552	11.5
383.16620	69.2
385.10318	10.5
389.11261	3.8
389.15759	2.8
391.13226	11.7
392.13614	2.3
393.14948	2.5
397.12366	3.1
399.14001	2.3
403.13138	4.0
405.14636	5.0
407.12415	4.2
407.16965	2.7
408.13385	2.1
409.09894	2.7
409.14481	39.8
417.10550	2.5
417.15222	2.7
419.12671	2.3
421.14310	10.9
423.15961	25.7
423.27582	4.0
425.13776	5.9
427.11844	6.8
433.14270	25.7
435.16125	3.5
437.13934	3.3
441.14240	3.1
445.14020	9.0
449.28812	3.0
451.15390	100.0
452.15497	2.7
455.15976	2.6
459.16080	4.3
463.15375	32.3
473.17303	3.6
475.14719	2.2
477.17062	8.6
487.15036	17.3
495.14325	5.2
497.17142	4.1
505.16214	42.6
515.18750	13.3
529.19897	7.2
533.19574	31.8
539.18146	4.8
547.21252	9.7
551.20135	2.1
557.19519	17.2
575.20660	66.5
576.20642	3.7
593.21515	10.1
593.32977	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90558	3.0
55.05500	11.3
57.03426	9.1
57.07071	35.3
63.79701	2.4
67.05501	45.7
67.60529	2.6
69.07073	13.3
71.08633	24.3
71.71548	4.1
79.05483	32.0
81.07049	51.0
83.08603	12.1
85.10176	13.4
90.59792	2.6
91.05476	18.3
93.07030	45.7
95.04964	4.2
95.08601	57.7
99.08082	4.0
105.07005	15.6
107.08595	21.5
109.10158	19.9
117.07014	7.9
119.08569	11.4
121.10137	22.9
123.11669	6.9
131.08556	10.8
133.10138	10.9
135.11708	15.2
137.13225	4.5
145.10095	11.5
147.11642	7.9
149.13268	13.5
159.11722	7.1
161.13284	4.7
163.14804	14.7
173.13246	8.3
175.14830	3.7
175.47983	2.6
177.16446	7.1
187.14702	4.7
202.36351	3.0
239.23781	4.0
243.21053	25.3
261.22107	56.0
313.27353	100.0
317.24756	8.8
335.25723	65.2
402.98526	3.0
573.48871	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	591.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.05504	8.2
57.03432	6.4
57.07070	27.4
67.05496	36.8
69.07069	10.5
70.87673	1.4
70.88020	1.7
71.04972	1.2
71.08624	20.2
79.05489	18.7
81.07048	42.1
83.08614	11.8
85.06525	1.5
85.10169	11.1
91.05476	9.6
93.07032	25.5
95.04957	2.3
95.08596	38.8
97.06523	2.2
97.10148	5.4
103.07549	1.7
105.07028	8.2
107.08580	17.7
109.10149	20.4
111.11701	1.7
117.07017	3.9
119.08577	7.2
121.10117	13.5
123.08081	1.3
123.11707	11.1
131.08543	10.4
133.10112	7.5
135.11688	12.8
137.13240	4.0
145.10118	8.3
147.11682	6.1
149.13255	7.8
150.63483	0.8
151.14827	1.7
159.11702	7.9
161.13274	5.6
163.14772	6.0
173.13214	7.8
175.14818	2.8
177.16371	1.8
187.14806	6.5
221.22537	1.2
233.22609	2.3
239.23659	4.1
243.21048	11.7
257.24750	1.7
261.22122	62.2
262.22479	1.0
265.60965	0.9
279.19965	0.8
279.23279	2.6
299.23724	1.9
313.27332	100.0
314.27710	1.2
317.24704	10.8
335.25769	66.7
407.80304	1.0
464.91776	1.0
499.44897	2.0
543.10858	0.8
573.40204	1.6
573.48615	17.3
591.49799	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	591.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89563	0.8
54.98809	0.8
55.01863	0.8
65.03918	0.8
68.99776	3.1
71.70687	1.3
75.58915	0.8
79.01838	2.7
79.05473	1.5
95.04951	1.3
97.02852	1.0
105.07024	7.4
107.01321	1.0
107.04944	12.1
109.02855	1.5
111.00816	1.5
111.04459	2.2
121.02857	1.9
121.06501	0.9
123.04384	2.9
125.02332	2.0
127.03910	4.4
133.02806	2.0
133.06474	28.9
135.04361	1.4
139.03889	100.0
140.04195	1.4
143.03360	4.3
147.04364	4.0
151.03894	10.2
153.01817	43.9
153.02847	2.1
154.02122	1.0
158.00417	0.9
163.03893	26.5
164.64095	0.9
175.03891	7.4
177.05447	2.3
179.03383	6.6
181.04907	3.0
189.05438	2.8
193.04895	1.6
199.03891	1.8
203.03409	3.2
205.04935	3.8
213.05482	3.1
217.04941	1.8
219.03070	0.9
241.04955	1.5
245.04434	5.5
259.06079	2.0
263.05411	2.4
271.09531	2.3
273.07486	0.9
283.06299	1.5
283.09634	3.0
287.05484	15.5
287.08398	1.6
299.05478	1.2
301.07047	26.0
319.08081	7.1
326.01837	1.0
333.06076	1.2
339.04562	1.1
405.05948	2.0
421.13156	2.0
423.07104	4.8
435.07178	1.4
447.06927	1.4
465.08255	1.5
471.08777	1.6
573.10297	1.0
579.31946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.8
55.01860	1.3
65.03921	2.5
68.99779	2.8
69.33209	0.7
71.70709	1.2
71.71095	0.8
73.94862	0.7
79.01848	4.3
79.05470	1.9
79.42093	0.7
81.03417	0.8
84.90823	0.8
98.97559	0.9
105.07026	8.4
107.04940	12.5
111.00758	1.4
111.04401	2.1
116.98621	0.8
121.02847	1.9
121.06499	1.0
123.04414	1.7
125.02331	1.5
127.03916	4.4
131.04866	1.0
133.02859	1.6
133.06479	32.5
135.04367	2.1
139.03888	100.0
140.04216	1.7
143.03392	5.6
147.04385	3.1
151.03894	12.1
153.01820	47.4
153.02905	2.3
155.03322	0.8
159.04477	1.1
163.03889	24.7
165.05508	1.2
169.04942	1.7
173.05887	1.2
175.03893	9.0
177.05499	1.9
179.03348	3.7
181.04956	1.9
185.05927	1.2
189.05418	2.4
193.04964	1.5
199.03831	0.9
203.03389	3.0
205.04964	3.3
213.05457	1.5
217.04927	1.3
229.04915	1.6
231.06480	1.1
237.05455	0.9
243.06567	1.4
245.04420	4.3
255.06575	0.9
259.05984	2.1
263.05566	1.9
271.09708	3.1
273.07474	1.0
275.05530	1.1
283.06079	1.8
283.09561	3.5
287.05460	8.7
299.05637	1.9
301.07043	28.6
301.10468	1.4
319.08105	8.6
327.08786	0.8
329.06381	1.3
333.06018	1.8
405.05969	2.3
421.12582	1.1
423.06906	3.2
435.06674	1.8
447.06796	0.9
465.08105	1.4
471.08823	2.2
489.09927	0.8
591.11359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.2
55.01850	0.7
59.28716	0.6
65.03934	1.5
67.05504	0.8
68.99763	1.0
69.84222	3.6
70.06583	0.8
72.86871	0.6
79.01852	3.5
79.02224	0.6
79.05486	1.0
81.03417	0.8
81.07061	0.7
85.02885	1.0
91.05473	1.0
93.07045	0.8
95.04939	1.8
97.02884	1.4
105.03329	0.7
105.07018	1.4
107.04935	5.0
109.02856	1.3
119.04951	0.8
121.02859	1.3
121.06476	2.0
123.04397	2.9
125.02348	2.7
127.03912	1.0
133.02846	3.8
133.06465	4.6
135.04384	2.5
139.03883	100.0
140.04219	1.5
143.03401	5.0
145.06482	0.7
147.04399	1.8
149.05988	1.3
151.03886	40.6
153.01810	42.3
153.02884	1.8
159.04344	0.8
163.03886	24.5
165.05438	0.7
167.07034	1.0
169.04950	2.2
173.05934	0.8
175.03883	20.6
177.05406	1.2
179.03406	1.7
181.04965	5.4
181.06339	1.1
185.05986	1.4
189.05426	1.4
191.06993	1.8
193.04971	1.7
203.07034	0.8
205.04913	5.3
212.52071	0.7
213.05409	0.8
229.05054	0.9
231.06474	1.3
233.08176	1.1
245.08089	0.6
254.29865	0.7
255.06479	1.2
259.06021	1.6
271.09659	10.2
283.05981	1.7
283.09344	1.4
287.05408	1.0
301.07031	44.2
302.07440	0.9
302.22806	0.6
319.08093	21.7
325.71194	0.8
345.87900	0.7
353.10257	0.9
387.14709	0.7
415.13916	0.8
439.14047	3.3
470.51688	0.6
591.16376	0.8
616.64240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19666	4.0
56.96552	32.9
57.03408	6.0
61.02915	5.2
61.99867	3.8
68.99789	8.3
69.03441	24.5
71.70679	6.6
73.02901	9.9
81.03413	8.1
84.96030	10.1
85.02894	50.0
97.02868	16.1
98.97575	87.2
99.04415	6.4
110.97576	16.0
116.98614	63.2
117.43471	4.3
119.01904	14.4
121.01656	5.7
124.99083	9.8
127.03915	32.0
128.98595	29.5
131.96146	4.9
134.99652	24.0
139.03876	14.7
143.00154	35.2
143.01906	10.0
145.03444	7.5
145.04938	12.9
146.99660	28.2
147.18010	5.5
151.03903	5.6
153.01830	32.1
155.01871	7.7
158.99635	69.6
161.01202	59.3
161.02910	13.9
166.66101	3.9
170.99649	29.0
173.01349	6.2
173.02948	10.4
174.99080	5.1
176.96886	10.4
177.00691	70.5
177.02113	6.0
179.02075	5.5
183.05054	6.8
185.01263	10.6
185.02960	21.3
186.09541	4.2
186.99149	9.6
187.02861	5.1
188.96957	8.8
189.00655	51.4
191.02319	5.3
191.03850	12.6
193.00128	5.1
197.03029	10.7
199.65733	4.0
200.04416	5.5
201.00705	33.9
203.02228	8.6
203.03978	11.1
205.00211	18.5
207.01709	11.7
218.98100	6.8
219.01701	60.5
223.01231	18.3
231.01851	14.6
236.99020	18.1
237.02809	13.3
243.01740	10.1
245.05069	45.2
246.05367	5.5
247.01003	4.9
247.04871	6.3
248.99339	9.1
249.02843	45.5
256.03101	4.5
261.02762	36.2
263.06082	11.8
264.07715	5.9
267.00262	16.0
267.04205	22.2
272.06528	10.0
273.02823	9.8
273.08090	15.0
275.06058	12.6
277.05997	5.7
279.00125	48.0
279.03873	100.0
281.07071	18.2
285.04971	7.5
287.05545	42.7
291.00244	34.0
291.03833	58.9
301.58380	6.4
309.01242	24.4
309.04877	57.8
321.01233	13.1
321.04922	25.2
327.06128	6.3
339.02271	5.7
339.06113	11.0
351.05954	15.8
365.09296	17.8
381.06952	18.1
393.03354	14.6
409.02490	4.3
411.04181	44.9
420.11627	5.6
425.11343	11.7
445.01617	5.6
493.07425	5.8
511.10004	5.9
591.12622	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	591.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19666	4.0
56.96552	32.9
57.03408	6.0
61.02915	5.2
61.99867	3.8
68.99789	8.3
69.03441	24.5
71.70679	6.6
73.02901	9.9
81.03413	8.1
84.96030	10.1
85.02894	50.0
97.02868	16.1
98.97575	87.2
99.04415	6.4
110.97576	16.0
116.98614	63.2
117.43471	4.3
119.01904	14.4
121.01656	5.7
124.99083	9.8
127.03915	32.0
128.98595	29.5
131.96146	4.9
134.99652	24.0
139.03876	14.7
143.00154	35.2
143.01906	10.0
145.03444	7.5
145.04938	12.9
146.99660	28.2
147.18010	5.5
151.03903	5.6
153.01830	32.1
155.01871	7.7
158.99635	69.6
161.01202	59.3
161.02910	13.9
166.66101	3.9
170.99649	29.0
173.01349	6.2
173.02948	10.4
174.99080	5.1
176.96886	10.4
177.00691	70.5
177.02113	6.0
179.02075	5.5
183.05054	6.8
185.01263	10.6
185.02960	21.3
186.09541	4.2
186.99149	9.6
187.02861	5.1
188.96957	8.8
189.00655	51.4
191.02319	5.3
191.03850	12.6
193.00128	5.1
197.03029	10.7
199.65733	4.0
200.04416	5.5
201.00705	33.9
203.02228	8.6
203.03978	11.1
205.00211	18.5
207.01709	11.7
218.98100	6.8
219.01701	60.5
223.01231	18.3
231.01851	14.6
236.99020	18.1
237.02809	13.3
243.01740	10.1
245.05069	45.2
246.05367	5.5
247.01003	4.9
247.04871	6.3
248.99339	9.1
249.02843	45.5
256.03101	4.5
261.02762	36.2
263.06082	11.8
264.07715	5.9
267.00262	16.0
267.04205	22.2
272.06528	10.0
273.02823	9.8
273.08090	15.0
275.06058	12.6
277.05997	5.7
279.00125	48.0
279.03873	100.0
281.07071	18.2
285.04971	7.5
287.05545	42.7
291.00244	34.0
291.03833	58.9
301.58380	6.4
309.01242	24.4
309.04877	57.8
321.01233	13.1
321.04922	25.2
327.06128	6.3
339.02271	5.7
339.06113	11.0
351.05954	15.8
365.09296	17.8
381.06952	18.1
393.03354	14.6
409.02490	4.3
411.04181	44.9
420.11627	5.6
425.11343	11.7
445.01617	5.6
493.07425	5.8
511.10004	5.9
591.12622	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	590.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70925	0.5
52.62240	0.5
53.03924	0.7
57.03436	0.7
61.17956	0.4
69.03419	3.1
69.69849	2.8
69.70256	1.1
70.06569	0.8
73.02889	0.5
77.82429	0.4
79.01849	2.3
81.03406	8.3
85.02901	2.8
86.09713	0.5
91.05459	0.6
97.02885	6.6
99.04467	0.8
107.01305	1.6
107.04871	0.5
109.02858	5.2
116.47022	0.6
125.02335	2.9
125.03172	0.6
127.03902	8.2
135.04393	1.2
139.03886	0.6
143.03392	6.4
145.04918	1.2
147.04453	0.5
153.01811	100.0
154.02222	0.6
158.13565	0.6
163.03902	2.1
171.02864	14.6
237.03656	0.7
241.08603	3.1
283.09683	0.9
297.06052	10.7
315.07059	11.1
315.10648	0.7
349.10797	0.8
537.14185	0.6
555.14722	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35429	0.6
53.00300	1.0
53.25435	0.5
55.01858	1.8
57.03410	1.1
60.90999	0.7
61.02913	0.9
65.03937	1.7
68.83608	0.6
68.99789	1.5
69.03414	1.8
70.29843	2.0
74.21352	0.5
79.01843	0.9
79.05473	1.4
83.04966	0.8
85.02884	3.0
91.05450	1.7
93.03368	1.5
97.02872	2.3
105.03371	0.8
105.06994	0.7
107.04944	1.1
109.02835	1.3
111.04446	2.5
114.06760	0.6
115.03898	1.0
119.04911	0.7
121.02850	2.6
121.46375	0.6
123.04424	2.1
125.02375	1.3
127.03915	2.1
129.17178	0.6
131.83131	0.5
133.02853	1.0
133.06483	1.0
135.04411	6.2
139.03888	100.0
143.03348	0.9
145.02870	0.8
145.06511	1.5
147.04385	12.4
149.02341	0.8
149.05998	1.2
151.03879	16.8
153.01805	11.7
153.02954	1.1
161.05980	1.7
162.64598	0.6
163.03897	18.9
163.05194	1.3
165.05460	1.5
173.06001	1.9
175.03889	16.3
177.01756	0.6
177.05452	1.3
179.03354	4.7
181.04941	22.6
187.03925	5.3
189.05441	3.7
193.04944	13.1
201.05479	2.2
203.03412	1.0
205.04924	5.5
217.04964	5.3
223.05966	3.7
229.04941	6.8
235.06018	6.9
247.06003	9.9
253.07066	1.8
259.06100	0.9
271.08124	21.5
283.08258	1.5
287.05521	3.1
289.07120	3.4
301.06915	3.0
301.45685	0.7
309.02899	0.6
313.07013	7.5
331.08261	2.6
339.04959	0.8
367.08176	0.8
373.09174	1.1
385.09045	2.0
388.14096	0.6
405.06052	1.2
421.11328	2.3
423.07114	0.9
445.94876	0.9
446.04498	0.8
465.07986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.05502	17.8
57.03426	13.9
57.07072	53.6
67.05492	44.0
69.07057	24.5
71.08624	34.3
71.18723	12.0
79.05483	34.6
81.07041	53.7
83.08592	12.0
84.99561	3.9
85.10181	21.4
91.05470	49.7
93.07034	50.0
95.04961	5.5
95.08587	49.2
97.10154	9.9
99.08073	4.4
105.07022	53.9
107.08586	28.8
109.10146	18.6
111.08081	4.2
117.07014	13.6
119.08562	50.4
121.10142	17.6
123.11695	6.2
128.00510	3.6
129.07004	11.0
131.08578	21.8
133.10132	45.0
135.11652	19.1
143.08530	5.6
145.10101	20.1
147.11667	52.4
149.13239	12.0
157.10097	9.1
159.11697	14.7
161.13203	28.9
163.14806	5.6
171.11670	13.7
173.13239	9.6
175.14825	17.6
185.13213	12.4
210.29678	3.6
231.21083	9.7
239.23553	5.4
241.19464	40.0
259.20547	96.5
277.21619	6.7
313.27332	100.0
315.23297	6.1
333.24271	46.4
571.47766	7.0
589.47961	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	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97578	2.8
55.05507	21.1
55.62845	2.6
57.03438	13.7
57.07070	58.6
57.56450	2.6
65.03934	2.9
66.42171	2.6
67.05500	43.0
69.07070	23.8
71.04774	3.9
71.05099	4.8
71.08621	36.1
79.05486	39.9
81.07046	55.0
83.08620	18.4
85.06535	3.0
85.10176	20.3
88.31464	2.7
91.05469	54.9
93.07028	44.0
95.04968	4.8
95.08603	49.2
97.10166	7.0
101.74761	2.8
105.07022	47.4
107.04849	2.5
107.08607	24.4
109.10160	16.5
111.08105	4.5
111.11707	3.3
117.07021	9.2
119.08571	47.4
121.10109	18.9
123.11692	5.8
129.07014	9.8
131.08563	19.3
133.10118	35.8
135.11665	17.1
143.08556	9.2
145.10149	13.0
147.11679	34.5
148.69258	3.3
149.13286	7.6
151.11047	2.9
157.10109	6.6
159.11705	13.1
161.13245	32.0
163.14813	4.6
171.11707	13.7
173.13239	9.5
175.14809	15.1
185.13269	8.0
187.14792	3.7
199.14836	4.6
219.25983	3.4
239.23740	7.0
241.19400	25.7
259.20566	76.6
267.74185	2.8
277.21643	4.3
295.15115	3.0
304.02148	2.8
313.27325	100.0
333.24213	44.0
439.87030	3.4
571.47003	10.7
589.48340	15.3
605.81464	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	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05508	19.1
57.03435	14.5
57.07070	50.8
64.90500	1.7
67.05501	50.6
69.07060	18.3
70.32469	3.7
70.32874	3.7
71.04980	2.6
71.08626	32.8
75.20057	1.7
79.05489	37.5
81.07050	57.9
83.04967	2.3
83.08614	15.5
85.06522	2.7
85.10168	18.3
89.06058	2.0
91.05467	53.6
93.07034	45.0
93.48337	1.6
94.94721	1.7
95.04942	5.4
95.08597	46.9
97.06515	3.1
97.10172	7.8
99.08105	2.6
103.05466	2.6
105.07018	65.9
107.08594	24.4
109.06532	1.9
109.10159	21.4
115.05409	2.6
117.07018	15.5
119.08580	51.6
121.10145	21.1
123.11693	5.2
123.85274	1.7
128.06206	2.8
129.07002	10.1
131.08562	24.0
133.09189	3.1
133.10126	45.7
135.11671	17.6
137.13287	1.9
143.08549	8.7
145.10124	17.6
147.11671	40.0
149.09676	3.5
149.13266	10.3
151.56668	1.8
157.10126	12.4
159.11681	16.9
161.13255	40.0
163.11166	3.2
163.14812	3.8
171.11705	12.4
173.13277	10.7
175.14815	15.1
185.13254	8.4
187.14745	3.3
199.14799	4.0
213.16432	4.0
217.19492	3.7
231.21092	10.2
239.23697	5.3
241.19499	43.9
257.24698	2.7
259.20560	93.4
277.21652	6.2
301.13522	1.7
313.27359	100.0
315.23166	8.2
333.24234	47.2
351.25522	2.2
571.46820	7.1
589.48370	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
54.84850	2.7
55.01858	8.7
55.05505	24.4
57.03426	6.5
57.07071	47.7
66.15958	2.5
67.05502	66.7
69.07065	36.1
69.46557	2.5
70.81954	2.6
71.04990	3.5
71.08628	35.7
71.71801	5.2
76.65613	2.7
79.05483	46.3
81.03402	8.9
81.07050	71.7
83.04964	9.6
83.08612	18.0
85.06503	4.3
85.10176	16.0
91.05472	63.2
93.07035	37.2
95.01324	10.9
95.04955	12.4
95.08600	60.2
97.06509	17.5
97.10168	10.3
105.07023	77.0
107.04942	21.8
107.08591	23.0
109.06532	6.4
109.10136	20.3
111.08071	3.5
117.06996	20.5
119.08567	43.4
121.10155	10.9
121.91830	2.9
123.11678	4.6
129.06979	5.8
131.08551	33.0
133.10129	37.9
135.08000	5.0
135.11670	7.9
140.21213	3.6
143.08603	3.8
145.06505	3.1
145.10098	20.3
147.11703	12.3
149.09589	5.6
153.41281	2.6
157.10109	4.3
159.11668	11.4
161.13223	5.6
171.11723	5.6
173.13313	8.3
177.12843	3.7
179.14247	18.7
183.11723	4.5
197.13181	3.3
201.16422	3.6
203.14130	4.7
219.17404	50.2
229.19392	3.8
247.20735	3.6
250.25674	2.9
257.19064	18.8
275.20041	93.0
277.31696	3.0
293.21152	8.0
313.27469	4.4
349.23755	4.1
587.46625	100.0
588.46729	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	587.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.01868	10.4
55.05510	19.4
57.03424	5.7
57.07071	45.6
64.92308	2.0
65.03938	2.7
67.05150	2.8
67.05498	46.3
69.07062	24.5
71.08623	31.1
72.40534	1.8
79.05486	37.2
81.03400	3.1
81.07050	73.2
83.01337	3.0
83.04982	3.8
83.08617	18.0
85.06528	3.5
85.10161	13.0
91.05471	37.5
93.07038	24.9
95.01358	2.4
95.04954	6.4
95.08591	41.4
97.06517	12.3
97.10159	7.2
98.26553	1.9
103.05493	4.2
105.07021	43.7
107.04950	11.1
107.08576	20.1
109.06503	22.1
109.10136	17.5
111.08047	3.1
117.07005	17.9
119.08569	35.6
121.06447	2.7
121.10137	13.6
123.07979	3.0
123.11676	9.6
125.09600	3.4
129.06947	4.3
131.04951	4.6
131.08559	22.6
133.10112	26.6
135.08054	3.9
135.11710	2.8
137.09645	2.0
143.08534	9.6
145.10109	46.1
147.04373	4.0
147.08121	2.4
147.11682	17.8
149.09595	13.9
149.13281	6.5
153.01907	2.7
155.08501	2.9
157.10088	6.7
159.11684	14.5
161.09692	2.6
161.13301	5.5
163.11188	8.8
163.14844	2.7
165.12790	2.3
169.10089	3.8
171.11694	6.4
173.13272	8.3
175.11237	2.2
179.14293	4.2
183.11705	5.8
185.13292	3.2
187.11234	3.0
193.12238	3.7
197.13268	4.2
199.02402	6.6
205.15878	2.8
229.19485	5.5
230.27702	2.1
233.15527	2.2
239.17892	12.9
239.23590	5.2
247.20610	6.5
257.18973	38.2
275.20029	81.5
293.21231	9.0
299.05545	2.6
313.27365	27.8
331.22659	15.1
349.23853	3.1
403.11920	3.5
423.09042	1.9
457.77344	2.4
463.14044	2.6
569.44855	2.2
587.46722	100.0
588.47150	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	587.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08165	2.7
53.03936	7.9
55.01859	9.3
55.05509	28.9
57.03419	10.2
57.07058	4.1
60.44172	2.7
65.03929	4.8
67.05152	6.0
67.05500	92.4
69.03417	5.0
69.07059	14.1
69.44720	10.9
69.45148	15.8
71.01334	3.8
71.04973	4.4
71.08640	3.3
72.60522	2.7
79.05492	60.8
81.03411	32.5
81.07053	71.8
83.04980	6.7
83.08594	15.1
83.87069	2.7
84.71688	2.7
85.06538	3.9
91.05478	39.9
91.83965	2.9
93.07039	58.3
95.04350	3.6
95.04963	74.7
95.08611	53.0
97.02903	3.1
97.06486	5.4
97.10156	12.2
105.07018	32.5
107.04932	18.2
107.08598	35.1
109.02867	14.3
109.06522	10.1
109.10139	23.1
111.04434	4.9
111.08112	4.0
115.05429	3.9
117.07036	17.9
119.08582	23.7
121.06459	4.8
121.10124	26.1
123.03535	5.2
123.04419	77.3
123.08038	4.5
123.11700	6.0
125.09654	6.1
129.07002	13.2
131.04933	4.0
131.08559	23.2
133.06511	5.2
133.10130	16.6
135.08072	3.3
135.11676	16.5
137.06023	4.7
143.08571	10.8
145.06473	6.6
145.10118	25.9
147.08034	9.8
147.11700	10.6
149.13260	5.6
153.09116	8.1
155.08521	4.9
157.10179	3.3
159.11665	8.6
161.13278	6.5
163.11186	19.4
163.14874	3.5
171.08099	3.0
171.11697	8.0
173.09641	8.2
173.13341	5.9
183.11523	2.9
189.12791	9.6
191.10588	4.0
199.11211	3.4
207.13762	15.0
209.11668	3.4
217.12236	12.8
235.13272	96.9
261.22131	8.2
273.14957	4.4
309.16968	55.8
335.25778	100.0
336.26196	3.2
478.84479	3.2
495.34680	4.6
538.11798	3.3
569.29907	4.3
569.38324	60.5
587.39398	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3208
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
50.01575	1.6
53.03934	6.8
54.28468	1.6
55.01864	10.4
55.05273	2.4
55.05509	28.2
57.03435	9.1
57.07041	2.3
57.49511	1.5
65.03933	4.6
67.05141	3.2
67.05499	58.1
67.60506	1.8
69.03416	3.7
69.07066	20.0
71.01356	3.0
71.04982	4.8
79.05488	56.5
81.03410	29.2
81.07048	77.4
83.00275	1.5
83.04976	11.5
83.05407	1.7
83.08614	16.9
85.02882	4.3
85.06533	2.4
91.05468	45.6
93.07032	46.1
95.01321	4.3
95.04958	48.6
95.08591	26.0
97.02873	4.7
97.06477	10.3
97.10149	10.2
103.05496	8.7
105.07021	32.7
107.04936	20.5
107.07915	2.5
107.08591	25.3
108.37340	1.7
109.02857	14.4
109.06484	8.7
109.10165	5.3
111.04430	6.6
111.08099	4.8
115.05425	12.2
117.07020	20.6
119.04953	5.3
119.08582	17.9
121.02885	9.0
121.06494	12.2
121.10127	13.3
123.04433	6.0
123.08072	4.7
123.11713	5.9
125.09627	5.8
128.06224	7.4
129.06990	16.5
131.04916	17.9
131.08540	19.1
133.06453	15.4
133.10106	10.7
135.04388	3.1
135.08040	6.6
135.11693	8.5
137.02327	5.5
137.06012	2.2
139.03946	1.6
141.06946	8.0
142.07759	3.0
143.04947	1.7
143.08556	10.4
144.05733	1.8
145.06468	20.7
145.10103	8.8
147.04367	8.1
147.08049	10.5
147.11690	7.4
149.05977	5.2
149.09662	2.9
149.13220	9.7
151.03885	2.3
153.07047	3.0
154.07797	1.7
155.08543	6.7
157.06480	7.8
157.10086	4.8
159.04449	2.8
159.08017	11.6
159.11705	9.6
160.05188	7.0
161.05975	24.2
161.09633	5.1
163.11186	7.9
165.07002	3.7
165.12811	2.9
167.08588	6.8
169.06461	4.3
169.10150	5.0
171.08018	10.2
171.11729	3.4
173.05986	24.7
173.09663	4.2
174.06740	8.9
175.03972	2.3
175.07523	5.5
175.11179	3.9
177.05435	3.5
177.12659	2.9
179.08604	2.3
180.05754	1.7
181.06477	4.0
181.10109	4.1
183.08046	5.1
183.11600	2.5
185.05998	5.0
185.09641	5.8
186.06763	2.3
187.07498	12.7
187.11067	1.7
189.05449	27.9
189.09167	4.0
189.11259	5.3
190.06183	4.3
191.10574	1.9
193.10362	2.0
193.12234	3.7
195.08096	5.1
195.11966	3.0
195.13843	6.4
197.05980	2.4
197.09711	4.0
199.07562	6.8
200.08354	2.1
201.05527	1.9
201.09157	5.4
203.07123	2.0
203.10703	3.8
204.09189	2.3
208.78909	1.7
209.09705	2.5
211.07593	2.8
211.11241	2.6
213.09230	2.6
213.12784	2.7
223.11172	2.4
223.13214	1.9
225.09129	2.5
225.12772	3.0
227.12793	2.9
237.12801	2.2
239.10677	3.1
241.12328	2.6
243.13739	2.2
247.13403	2.2
255.13864	12.5
257.15387	3.2
261.14709	2.5
265.12253	3.1
267.15927	5.1
269.17456	25.2
271.13333	4.6
273.14859	34.3
281.15750	2.0
283.13284	13.8
283.16443	2.5
285.14716	11.2
285.17654	2.1
289.14365	8.5
301.14322	93.1
302.14908	2.0
303.16049	7.2
311.16455	2.1
313.17963	2.7
319.15445	11.7
325.18063	3.6
329.17239	1.8
339.16083	2.0
345.17114	2.0
357.17010	4.1
375.17953	18.4
384.80423	1.7
393.19241	7.8
431.25833	2.5
449.26920	4.4
459.25476	5.4
467.27771	2.7
477.26434	5.7
495.27551	6.0
513.28479	5.5
523.30408	2.8
525.28589	2.5
527.30237	5.6
539.30212	3.3
541.31647	4.0
551.29785	12.1
557.31158	21.0
569.22180	4.3
569.31110	79.2
587.32141	100.0
588.32385	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	587.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
55.01858	2.0
57.03427	6.7
59.04983	5.2
65.03909	1.7
67.05509	2.4
69.03411	7.1
69.06702	2.2
69.07064	37.3
71.05004	8.6
76.43964	1.9
79.05466	2.5
84.04516	1.7
85.06549	9.2
87.04458	2.0
90.74339	1.8
97.06527	15.5
103.07578	2.8
107.08571	2.1
117.09115	2.4
121.06435	2.1
123.04399	2.3
125.02311	2.0
129.09097	40.0
135.04382	2.1
139.03885	100.0
141.05496	3.7
143.03375	2.4
149.05975	3.8
151.03926	11.7
153.01810	30.1
153.05533	2.6
157.30717	1.8
163.03896	33.5
165.05469	47.1
175.03909	4.5
177.05392	9.6
179.07039	13.1
181.05006	2.5
189.05467	4.4
201.09061	2.0
205.04929	5.8
217.08554	12.4
229.08572	6.9
235.09688	14.7
247.09634	17.3
249.11208	1.9
267.12231	31.9
269.94302	2.0
289.07083	3.5
301.07004	7.2
315.08633	11.6
367.11746	3.4
379.20395	1.8
385.12875	4.3
402.37091	2.0
417.15729	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	587.1026
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
53.24842	0.7
55.01846	1.7
69.03418	12.0
71.11409	1.0
71.11738	1.5
72.21761	0.7
79.01826	3.2
79.05466	0.7
91.05460	1.2
91.99248	0.7
97.02880	21.5
112.53242	0.6
115.03921	6.4
119.04928	1.8
125.02344	2.6
131.04912	3.1
139.03851	1.5
143.03394	6.6
145.10107	0.7
147.04367	3.3
151.03868	2.0
153.01811	100.0
153.02742	4.0
154.02142	1.0
154.64696	0.7
159.04428	4.4
163.03891	2.2
165.05431	1.6
167.06975	4.0
168.07289	1.3
175.03882	3.4
177.05457	2.7
179.03354	7.9
181.01222	0.8
191.03320	0.9
193.04991	3.7
199.45261	0.9
199.55519	0.7
203.03438	1.7
205.04938	16.7
207.02864	19.6
221.04465	7.1
231.02800	3.4
237.03935	1.5
249.03915	10.2
250.54424	0.7
253.43172	0.6
267.04971	34.2
285.06030	7.9
291.64804	0.6
303.04944	3.4
312.37326	0.7
327.04977	0.8
327.12216	0.8
364.70905	0.9
502.67862	0.7
587.17749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2328
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
50.18127	0.4
53.03941	0.4
55.01860	1.2
55.05500	1.2
65.03934	7.4
67.05497	2.6
69.03426	0.5
70.06618	0.5
71.01328	0.6
71.10205	1.2
71.10574	0.6
79.05496	2.4
79.14620	0.4
81.03411	1.1
81.07037	1.1
82.04213	0.9
83.04964	0.8
83.08591	0.7
85.02913	0.5
91.05467	1.9
93.03408	2.3
93.07020	1.0
95.01324	1.0
95.04960	2.5
95.08571	0.5
97.06477	0.7
97.10150	0.9
103.05452	0.6
104.26419	0.4
105.07020	1.4
107.04938	2.8
108.02080	1.1
109.02874	1.1
110.03656	7.1
111.04440	9.1
112.69502	0.5
115.05473	0.8
119.08573	0.5
121.02853	6.2
121.06494	1.6
123.04395	0.5
125.05972	9.1
128.06181	0.5
129.06987	0.8
131.04892	1.3
133.02872	0.5
133.06505	0.5
135.04402	1.4
135.08029	0.6
137.05971	1.0
138.03082	0.7
139.03929	1.0
141.05472	1.0
143.04892	0.7
145.06468	0.9
147.04405	0.9
147.08051	1.0
149.02327	1.5
149.05933	0.8
151.03900	22.3
151.07489	0.8
152.04265	0.6
153.05453	18.8
154.05841	0.7
155.05899	0.6
157.06496	0.7
159.08083	1.2
161.05923	2.0
161.09595	1.9
162.06749	1.1
163.03802	0.5
163.07632	0.7
165.05511	1.0
165.07001	1.2
167.07034	2.7
167.08446	0.8
169.06503	0.9
171.07964	0.5
173.06015	0.6
174.06720	0.5
175.07561	1.2
177.06871	0.4
177.09148	0.5
178.06281	0.7
178.07739	1.0
179.07005	0.5
179.08481	0.8
181.05060	0.5
181.06511	0.8
182.07285	1.0
183.08098	0.6
184.05170	1.0
184.08745	0.6
187.07532	0.6
188.08235	0.6
189.05479	0.7
189.09148	1.2
190.06093	0.5
191.08585	0.5
193.10181	0.7
194.07253	0.8
195.06577	0.8
195.08051	2.1
195.10179	0.5
196.07050	0.4
197.05984	1.0
197.09631	1.3
198.06621	0.5
199.07481	0.6
201.08942	0.5
202.07903	0.4
203.06778	0.5
205.06531	0.9
206.07201	0.8
207.08044	1.3
207.10036	0.7
209.06013	0.8
209.09697	0.6
210.06767	2.0
211.07570	1.9
211.13353	0.6
212.08311	1.0
213.09079	0.9
217.35242	0.4
219.08073	0.7
219.10025	0.6
221.06099	1.0
221.09579	2.0
222.06729	0.8
222.10338	0.6
223.07520	3.1
223.11092	0.8
224.08324	1.5
225.05568	0.6
225.09122	2.7
227.06989	1.9
227.10609	1.2
233.09740	0.6
234.06764	1.2
235.07463	1.5
236.08351	0.7
237.05450	0.9
237.09116	2.1
238.06163	1.9
238.09944	2.5
239.06981	3.0
239.10628	1.2
240.07787	6.1
241.08542	1.5
244.10960	0.7
247.07329	0.5
249.05476	0.7
249.09039	1.5
249.11246	0.8
250.09897	0.6
251.06982	1.9
251.10719	1.1
252.07796	2.1
253.04843	0.6
253.08591	13.0
253.12215	5.3
254.09241	2.0
255.06497	1.8
255.10095	5.3
257.08087	1.3
263.07092	0.6
265.08597	1.6
266.05933	0.8
266.09354	3.1
267.06525	1.5
267.10254	2.7
268.07285	2.4
268.10696	0.6
269.08115	2.2
270.08838	2.0
271.13382	0.5
273.14716	0.5
277.08673	1.2
278.09344	0.7
279.10120	0.8
280.07266	0.6
281.08539	3.8
281.11179	3.6
282.08804	1.7
283.06467	0.6
283.09668	6.6
283.12860	0.7
284.10559	2.2
285.11148	2.9
285.14755	1.7
294.08728	1.3
295.09656	3.7
296.10410	1.3
297.08145	0.5
297.11255	1.9
298.08731	0.5
298.11926	1.7
299.09320	0.5
299.12714	6.5
300.10080	0.8
301.14343	1.6
303.16043	0.5
309.11130	5.2
310.11841	1.9
311.09204	0.7
311.12717	0.7
313.10669	7.9
313.14334	3.0
325.10657	1.2
325.14352	0.5
326.11264	1.1
327.12228	25.8
328.12924	2.3
329.13901	0.6
331.15399	2.3
339.12277	1.1
341.13879	3.5
341.17523	0.7
343.15378	1.2
353.13754	1.0
357.13306	1.9
359.14847	100.0
360.15280	2.2
361.16354	0.6
371.14883	5.6
372.15701	2.2
511.26712	0.5
563.00775	0.6
567.29138	1.4
585.30682	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	585.1237
Annotation	Myricetin 3-(2''-p-hydroxybenzoylrhamnoside)
Peak:m/z	Relative Intensity
53.19733	0.8
55.01859	1.8
57.03414	0.8
58.78188	0.7
60.40837	0.8
63.32723	0.8
63.78017	0.7
65.03927	3.4
67.05489	1.8
69.03436	1.0
69.52605	7.3
75.15114	0.6
79.05470	1.3
81.03391	1.1
81.07043	2.2
83.04979	0.8
85.02897	1.4
91.05487	1.3
93.07040	0.8
95.04963	1.1
95.08633	0.9
97.02907	1.1
98.21538	1.5
103.05459	0.8
103.28878	0.7
105.07027	1.2
109.02863	0.7
111.04420	4.6
115.05524	0.8
116.01701	1.2
119.08467	0.7
121.02856	100.0
122.03217	0.9
129.07037	0.8
131.08583	1.2
133.06401	1.1
137.06006	1.5
139.03870	2.8
144.05652	0.8
147.04375	1.8
153.01790	4.7
159.51111	0.9
161.06050	1.7
162.02199	1.3
163.03824	1.0
167.07033	1.0
175.28186	0.8
181.04889	1.3
249.07535	6.4
267.08624	3.1
269.04486	1.7
282.70383	0.8
297.03955	2.0
301.03458	0.8
301.14288	1.0
315.04904	2.7
319.04633	1.5
329.02942	7.8
331.04504	4.7
343.04453	12.5
361.05377	6.7
385.05392	3.7
389.13885	0.9
411.07141	2.4
429.08072	3.6
447.09280	5.8
465.10352	2.2
481.07697	3.4
567.29572	0.9
585.13983	1.2
585.29889	2.4
608.65613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.2
55.05501	11.3
57.07071	16.3
59.04996	4.1
61.40070	2.0
65.03933	2.2
67.05502	20.9
69.03430	5.4
69.07066	13.4
69.38596	23.1
70.06616	2.7
79.05481	23.5
81.03379	2.5
81.07053	33.1
83.04974	7.4
83.08608	6.7
85.06541	6.8
88.07591	2.7
89.06016	4.2
91.05473	41.9
91.92137	2.0
92.06272	2.5
93.07038	55.4
93.07598	4.0
95.04955	12.2
95.08604	33.4
97.06506	6.0
98.21472	4.5
103.05477	5.6
105.07023	85.0
105.07737	4.2
106.07870	4.0
107.08581	45.9
107.09257	3.7
109.06519	11.1
109.10147	16.0
111.04453	2.3
111.08077	3.9
115.05463	4.7
117.07005	21.2
119.08568	100.0
120.09418	2.3
121.06487	6.6
121.10136	28.8
123.08076	16.6
125.06001	5.5
127.57184	2.2
128.06178	9.8
129.06972	20.0
130.07787	8.4
130.20580	2.1
131.08557	47.3
132.09349	4.0
133.06464	2.5
133.08566	3.9
133.10115	44.5
135.08029	16.1
135.11661	9.8
137.09622	14.1
141.07002	6.8
142.07771	19.6
143.08560	39.9
144.09326	11.7
145.10114	64.1
146.10762	3.1
147.08038	22.2
147.11652	15.6
149.09573	9.4
149.13243	4.0
151.07545	9.6
151.11244	2.4
153.06929	3.7
154.07735	3.4
155.08514	19.3
156.09334	18.2
157.10117	66.8
158.10895	11.4
159.08044	6.7
159.11682	36.1
161.09604	10.6
161.13272	8.9
163.11182	10.0
165.07034	5.2
165.09099	36.9
166.07730	2.9
167.08565	9.5
168.09351	6.9
169.10141	25.7
170.10901	9.2
171.11681	35.9
171.92162	2.1
172.12439	7.2
173.09634	5.9
173.13234	25.3
175.11172	15.4
175.14842	12.6
177.09077	2.7
177.12733	4.2
179.08539	9.0
180.09299	5.7
180.11444	2.7
181.10091	16.8
181.12216	5.4
182.10843	9.6
183.11681	30.4
184.12393	4.9
185.09680	4.8
185.13239	19.7
187.11136	4.1
187.14804	6.6
189.12767	8.1
190.13591	6.1
191.10739	2.6
191.14268	5.3
192.09431	2.9
193.10274	11.4
193.11925	10.0
194.10916	7.7
195.11671	16.9
196.12476	6.8
197.13248	19.4
198.14026	3.8
199.11182	5.8
199.14862	7.6
201.12764	7.1
201.16409	4.8
203.14311	15.7
206.10930	3.7
207.11703	13.3
207.13811	8.4
208.12433	5.3
208.14442	3.9
209.13261	17.3
210.14047	2.2
211.11234	3.4
211.14764	10.1
213.12695	4.2
213.16386	2.8
215.14247	3.7
217.15857	3.5
219.11700	3.3
219.13757	4.8
220.12361	3.2
221.13272	9.4
221.15369	39.0
222.13994	2.9
223.11169	3.7
223.14784	16.1
224.15561	3.0
225.12701	3.0
225.16362	4.9
226.13477	2.4
227.14420	3.1
233.13205	2.9
234.16119	7.7
235.14685	9.7
237.12740	7.7
237.16373	5.7
239.17909	4.2
247.16962	6.7
249.16389	3.6
251.17790	2.7
253.15932	3.8
253.19540	3.0
256.26471	3.2
261.16272	3.7
263.14386	2.3
263.17883	4.7
265.19443	2.4
269.18979	2.3
271.16885	3.8
275.17957	2.2
279.17252	2.8
281.18945	4.1
283.26208	2.2
286.19281	2.4
297.18649	2.1
299.20056	5.5
300.28900	3.5
305.18936	2.5
309.18448	3.1
309.21970	2.5
311.20041	2.8
311.29388	6.4
319.20712	4.7
323.19885	2.8
325.21860	4.3
331.20645	2.5
337.21548	9.6
352.23944	39.8
365.24771	8.6
397.27472	2.8
398.28348	2.7
404.30740	2.9
411.29199	2.3
412.29675	12.0
438.31262	7.3
489.33179	3.1
491.35165	6.0
492.35324	5.7
504.35947	49.1
584.42120	11.7
584.56067	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	584.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01860	2.8
55.05496	7.7
57.07070	11.7
59.04987	5.2
63.74108	2.8
65.03899	3.0
67.05500	19.5
68.36085	1.9
69.03426	6.0
69.06754	1.8
69.07072	16.5
71.50607	2.4
71.50944	4.2
79.05489	20.4
81.07053	25.4
83.04969	5.3
83.08611	3.3
85.06522	4.8
89.06000	2.8
91.05472	38.4
93.06510	4.0
93.07037	43.5
95.04946	11.8
95.08601	29.6
97.06506	3.8
98.42725	2.3
103.05452	2.6
105.07027	64.0
107.08579	40.1
109.06509	11.3
109.10128	12.5
111.08037	2.5
115.05362	3.6
116.06161	3.4
117.07011	18.5
119.08570	85.5
120.09351	5.4
121.06501	5.2
121.10140	26.4
122.07240	3.3
123.08045	15.9
123.11694	5.3
125.05967	3.0
128.06190	7.5
129.07010	17.1
130.07745	6.8
131.08560	34.8
132.09331	3.6
133.06439	2.3
133.10124	32.7
135.08044	15.1
135.11662	14.5
137.09598	10.5
139.07550	3.5
141.06955	6.8
142.07806	14.8
143.08554	37.4
144.09323	12.8
145.10103	54.4
146.10796	4.3
147.08054	18.2
147.11664	16.4
149.08386	2.2
149.09566	10.6
149.13133	2.8
151.07573	10.6
151.14822	2.4
153.06964	2.7
155.08511	15.0
156.09300	13.7
157.10104	56.2
158.10832	10.2
159.08044	6.8
159.11655	34.4
160.12395	2.8
161.09578	6.9
161.13206	7.1
163.11150	9.1
165.06975	5.1
165.09123	30.8
167.08501	10.5
168.09290	5.1
169.10124	23.5
170.10860	8.2
171.11679	32.9
172.12468	7.5
173.09642	5.0
173.13251	18.9
174.10345	3.4
175.11290	10.7
175.14809	11.2
177.86380	2.3
179.08533	8.2
180.09262	4.1
181.10135	14.4
181.12216	8.3
182.10849	6.6
183.11664	29.2
184.12378	6.6
185.13234	18.4
187.11166	3.2
187.14798	5.3
189.12688	8.7
190.13432	6.9
191.10608	4.2
193.10104	7.8
193.12247	8.5
194.10928	5.7
195.11725	16.8
196.12408	8.6
197.09602	3.8
197.13318	20.1
198.13908	5.7
199.11259	4.2
199.14725	6.1
200.15720	2.3
201.12685	5.9
203.14288	13.4
206.10915	3.8
207.11650	9.8
207.13805	11.3
208.12424	6.1
208.14439	5.2
209.13316	15.9
211.11166	4.3
211.14772	11.4
213.12686	5.2
213.16335	4.3
215.14346	3.8
216.14973	2.4
217.15829	4.6
219.11674	2.5
219.13718	4.4
220.12395	2.7
221.13361	6.4
221.15343	68.5
222.13841	3.6
222.15814	3.7
223.11108	3.9
223.14784	13.9
225.12762	3.9
225.16321	6.2
227.14316	2.6
229.15794	4.9
233.15356	4.1
233.52885	2.4
234.16083	9.5
235.14799	7.4
237.12697	6.7
237.16359	6.1
239.14290	4.1
239.17795	3.7
247.16962	8.0
249.16270	7.6
253.15752	3.0
261.16348	3.8
263.17865	5.0
281.19012	3.5
285.18475	3.9
286.19333	2.9
287.20032	4.4
299.20233	11.1
310.19098	2.4
312.20935	4.7
312.24399	4.7
323.20166	2.5
325.21591	11.8
337.21518	8.1
351.23126	2.8
352.23923	70.9
353.24176	3.1
365.24615	9.7
391.26294	4.1
397.27213	4.6
398.28101	6.1
404.30658	8.7
411.28955	4.5
412.29810	17.8
425.30453	6.3
438.31262	15.6
481.33249	3.0
489.33682	4.7
491.35245	13.5
492.35339	14.3
504.35931	100.0
569.40289	2.8
584.42029	22.9
584.56067	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	583.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	47.5
57.03431	12.5
57.07069	22.4
67.05144	3.9
67.05496	57.7
69.07062	65.6
71.04964	6.6
71.08615	9.9
71.73233	3.8
79.05491	30.4
81.07050	89.1
83.04956	4.0
83.08614	40.1
85.06538	6.5
85.10173	4.6
89.06036	4.5
91.05461	20.2
93.07033	25.9
95.08597	80.0
97.06511	7.7
97.10155	31.9
99.08060	3.9
105.07005	14.3
107.08579	21.0
109.10147	27.1
110.16578	2.3
111.08055	7.3
111.11714	13.3
118.98016	2.8
119.08574	14.9
121.10139	25.2
123.08062	3.2
123.11652	11.3
125.09648	5.4
125.13229	5.3
128.54100	2.2
129.05424	2.6
132.81052	2.5
133.10110	13.2
135.11682	26.7
137.09604	4.6
137.13255	6.3
139.11160	3.8
147.11639	11.5
149.13194	4.1
151.14743	3.4
153.12718	7.4
161.13242	6.9
165.12703	5.6
175.14842	4.7
187.89421	2.2
193.19412	3.7
217.19510	17.4
235.20615	26.9
239.23753	6.4
253.21581	10.5
257.24664	3.1
303.32678	2.4
309.24146	17.7
313.27271	16.1
315.00244	2.4
327.25244	100.0
565.47998	3.2
583.49054	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.05499	6.8
56.85706	1.1
57.07071	5.9
59.05000	2.7
67.05496	12.8
68.01223	1.0
69.03414	4.6
69.07052	7.0
79.05483	11.1
81.07048	18.2
83.04965	1.5
83.08604	5.0
85.06541	3.0
88.93743	1.2
91.05466	18.6
93.07031	29.1
95.04951	5.3
95.08599	26.0
97.06495	1.5
97.10129	1.0
99.78400	1.0
105.07015	34.9
107.04955	5.2
107.08585	17.1
107.09266	1.8
109.06510	4.0
109.10147	11.0
111.08087	1.8
115.05431	2.4
117.06998	6.6
119.08569	34.7
121.06513	4.5
121.10133	22.2
123.08053	18.6
123.11700	1.7
125.05970	1.9
128.06210	4.7
129.06985	7.7
130.07748	2.7
131.08556	12.6
133.06526	1.6
133.10126	15.6
135.08032	6.7
135.11665	6.5
137.09579	10.3
141.06944	2.2
142.07729	9.5
143.08556	16.0
144.09328	3.9
145.10100	19.9
147.08040	20.8
147.11699	5.5
149.09613	2.8
151.07515	21.4
154.07826	1.7
155.08563	7.2
156.09323	8.8
157.10112	27.9
158.10907	2.6
159.08052	2.4
159.11671	13.3
161.09630	3.5
161.13290	5.0
163.11218	3.6
165.07010	1.8
165.09096	39.8
165.10458	2.2
166.07771	1.4
167.08553	3.6
167.10741	2.4
168.09401	2.9
169.10104	9.7
170.10869	5.8
171.11671	16.4
172.59227	1.1
173.09612	1.3
173.13260	8.4
175.11226	1.2
175.14883	3.5
177.09164	1.7
177.12729	1.2
179.08516	5.4
180.09306	2.9
181.10092	6.3
181.12294	2.4
182.10918	5.5
183.11688	12.2
184.12480	1.7
185.09607	1.2
185.13217	13.8
187.11169	2.9
187.14803	5.2
189.12787	5.4
191.08585	1.6
191.10788	1.1
191.14275	2.2
192.09331	1.7
193.10095	6.1
193.12157	1.1
194.10922	3.9
195.10027	1.7
195.11691	13.5
196.12444	2.9
197.13234	13.8
199.11131	1.8
199.14885	4.2
201.12608	1.4
201.16405	1.2
203.14284	16.8
205.10170	1.7
206.10976	3.5
207.11707	7.5
207.13808	9.0
208.12454	2.3
209.13274	11.9
209.15088	1.9
210.13890	2.0
211.14784	7.6
212.15436	1.1
213.12762	1.2
213.16399	2.1
215.14352	2.4
218.11018	1.5
219.11726	2.8
219.17445	2.0
220.12462	2.5
221.13272	8.4
221.15320	64.3
222.13950	1.7
222.15886	1.4
223.14766	7.6
225.16338	3.1
227.14241	2.0
227.17924	1.2
229.16057	1.4
231.11690	2.3
231.17458	4.1
233.13249	3.4
233.15381	2.4
234.13979	2.3
235.14804	5.9
236.15530	2.4
237.16467	4.6
239.17874	2.1
241.15924	1.3
245.13152	1.8
246.14003	2.9
247.14793	4.7
247.17000	2.4
248.15468	1.2
249.16429	3.8
251.17989	3.9
253.19505	2.4
257.19116	1.3
259.14847	3.1
260.15451	1.6
261.16382	2.5
263.17957	2.3
265.19562	3.3
269.19028	2.5
271.14737	2.0
271.20731	3.1
273.16342	2.3
277.19684	1.9
279.17722	1.4
279.21011	2.7
281.18979	2.3
283.20612	4.2
285.16391	1.5
287.20251	2.6
289.19513	2.4
291.21268	1.4
295.20593	4.9
297.22034	6.2
299.20279	1.6
305.17752	1.3
315.21103	1.5
325.21567	1.6
333.22192	1.5
339.42609	1.2
348.24573	1.7
349.25369	2.9
351.23260	1.4
352.23956	2.3
355.38940	1.2
357.26007	3.4
361.25162	1.2
365.24701	2.6
375.26825	6.3
385.28894	1.7
403.29935	13.3
491.34625	1.3
499.40057	1.3
503.35434	5.8
509.34241	3.9
547.39856	2.1
565.40326	30.6
566.41077	1.6
583.41412	100.0
584.42017	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37324	2.9
53.03938	5.1
55.05501	19.5
57.07072	16.4
65.03920	6.7
67.05497	31.3
69.03406	9.0
69.07059	22.8
69.49250	31.3
79.05472	25.7
81.07039	38.6
83.04955	7.0
83.08604	7.0
85.06525	10.9
91.05468	60.7
93.07034	65.7
93.69990	2.8
95.04951	19.6
95.08596	37.6
97.06503	9.7
97.10199	3.3
103.05503	4.4
105.07018	91.0
107.08585	68.4
109.06509	11.5
109.10139	29.8
111.08033	4.5
112.88506	3.3
117.07004	21.2
119.07748	6.2
119.08566	100.0
121.06508	5.5
121.10126	58.6
123.08057	18.6
123.11699	7.0
125.06002	3.6
125.09612	3.6
128.06209	14.5
129.06989	21.8
130.07745	9.8
131.08557	49.6
133.06502	3.4
133.08612	3.5
133.10109	48.7
135.08025	13.6
135.11702	21.1
137.09554	14.1
139.11235	5.2
141.06960	13.6
142.07741	35.0
143.08553	54.2
144.09286	10.5
145.10112	66.5
147.08018	19.7
147.11667	21.7
149.09581	4.1
149.13242	5.7
151.07526	14.9
155.08527	19.9
156.09348	21.2
157.08891	4.6
157.10133	67.0
158.10847	11.8
159.08060	4.1
159.11676	34.8
161.09604	8.6
161.13203	10.3
163.11168	7.7
165.07036	6.6
165.09120	28.9
166.07811	5.1
167.08580	14.3
167.10693	14.7
168.09309	10.5
169.10094	38.4
170.10880	11.3
171.11684	40.3
172.12375	3.9
173.13255	25.7
175.11127	5.8
175.14799	9.6
179.08557	19.2
180.09332	7.4
181.10104	19.7
181.12213	4.8
182.10838	11.2
183.11684	29.6
184.12325	7.3
185.09647	4.7
185.13220	23.4
187.14771	8.3
189.12720	6.8
191.14276	8.2
192.09425	7.9
193.10077	16.1
194.10884	18.0
195.11659	31.9
196.12402	4.5
197.13261	27.8
199.14816	23.0
203.14340	16.9
204.09274	3.6
205.10156	6.9
206.10872	11.0
207.11658	26.8
207.13628	6.1
208.12486	9.7
209.13223	34.5
211.14842	16.2
212.88853	2.8
213.16391	5.0
215.14107	3.4
217.15854	12.4
218.10741	5.8
219.11757	13.9
220.12369	10.9
221.13214	20.5
221.15343	61.2
222.13983	3.9
223.14854	17.2
223.16669	3.4
225.16414	8.5
227.14250	4.3
231.11624	9.3
232.12350	5.5
233.13184	13.5
233.15372	11.1
234.13937	7.3
235.14822	17.2
237.16353	5.9
239.17844	7.9
243.11577	4.9
245.13219	6.3
246.13956	9.2
247.14748	10.5
248.15547	4.9
249.16364	10.6
251.17885	7.1
257.18982	8.2
259.14734	11.2
260.15540	8.0
261.16360	12.9
263.17822	9.6
265.19489	8.9
269.18884	4.6
273.16223	6.8
274.16922	5.1
275.17978	16.1
277.19376	6.8
283.20572	15.7
285.16217	5.3
287.17746	6.1
288.18784	3.4
289.19226	4.6
295.20676	5.2
297.21988	3.2
300.20697	4.3
301.19250	4.1
303.21051	4.5
307.20401	3.4
331.24161	7.9
347.23621	4.1
349.25269	12.2
373.25543	3.5
375.27045	6.5
399.52020	3.2
403.29944	5.1
462.86783	3.1
491.34634	6.3
531.01514	3.6
556.28406	3.8
565.40497	20.1
565.48303	4.7
583.41388	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05503	6.4
57.07072	6.2
58.41887	1.1
59.05001	3.2
64.71902	1.1
65.03936	1.6
67.05494	11.6
69.03427	7.5
69.07056	7.0
70.51606	4.1
79.05487	10.9
81.07054	19.0
83.05001	2.1
83.08611	3.2
85.06548	3.2
91.05472	18.3
93.07037	32.8
95.04980	5.8
95.08597	27.5
97.06525	1.8
103.05496	1.6
105.04550	1.6
105.07020	35.5
106.81210	1.3
107.08596	18.6
108.05792	1.1
109.06540	5.2
109.10149	9.9
111.08063	1.3
115.05482	1.2
117.07006	5.7
119.08569	30.5
121.06499	4.1
121.10136	25.6
123.08072	15.4
123.11715	2.7
128.06248	3.7
129.06998	6.7
130.07730	2.1
131.08560	12.7
133.06566	1.7
133.10107	18.1
135.08043	9.9
135.11716	4.7
137.06038	1.4
137.09589	8.7
141.07013	3.2
142.07784	9.1
143.08537	16.9
144.09343	3.2
145.06616	1.3
145.10114	22.7
147.08026	16.8
147.11699	4.3
149.09610	3.2
150.09512	1.2
151.07526	22.1
152.06160	1.3
155.08562	8.0
156.09340	10.2
157.10106	27.2
158.10939	3.9
159.08038	2.0
159.11670	13.4
161.09586	5.7
161.13261	5.4
163.11205	4.0
165.07022	2.6
165.09113	36.8
165.10471	2.4
167.08586	4.3
168.09335	3.4
169.10143	11.9
170.10921	4.6
171.11670	15.7
173.09676	3.2
173.13240	10.1
175.11169	1.6
175.14883	3.5
177.09158	1.4
179.08604	4.4
180.09389	1.9
181.10120	8.4
181.12212	2.1
182.10890	4.5
183.11691	13.3
185.09691	1.5
185.13277	13.0
187.11191	2.0
187.14780	2.6
189.12692	5.5
191.14375	1.8
192.09390	1.4
193.10078	5.6
194.10968	4.7
195.11710	12.2
196.12506	3.5
197.13210	11.8
198.14098	1.2
199.11266	2.4
199.14871	5.2
201.12766	1.4
203.14317	15.6
205.10152	1.6
206.10951	3.3
207.11757	7.3
207.13847	7.8
208.12502	4.2
209.13248	12.4
210.13977	2.2
211.14914	5.7
213.12721	1.5
213.16464	3.4
217.15952	1.6
219.11671	3.3
220.12511	1.8
221.13292	6.9
221.15326	60.7
222.14017	1.5
223.14816	6.1
224.15611	1.3
225.12921	2.3
225.16417	4.1
231.11713	2.1
231.17435	3.1
233.13284	4.0
234.13902	1.7
235.14732	5.7
236.15625	1.8
237.16418	3.4
239.17982	3.4
241.15729	1.3
244.12839	1.4
245.13242	3.2
246.14055	2.4
247.14848	3.5
247.17062	2.6
248.15681	1.9
249.16434	3.7
251.17923	2.5
253.15958	1.4
253.19608	2.5
255.17409	1.6
257.19061	2.4
259.14868	1.8
261.16476	3.3
263.17892	2.1
265.19711	2.2
269.19107	1.9
271.20560	3.6
273.16412	1.6
275.18002	3.4
277.19614	3.7
279.21179	2.2
283.20605	4.8
286.19284	1.8
287.09137	2.5
287.20255	2.1
291.21188	2.3
295.20615	2.2
297.22055	5.9
299.12881	1.3
299.20267	2.4
300.20883	1.5
303.21066	1.8
309.22177	1.9
312.20871	1.5
315.20914	2.2
347.23709	2.9
349.25339	3.1
352.23944	2.4
355.08179	3.3
357.25879	2.6
365.24905	3.4
375.26782	7.5
382.65897	1.2
385.28931	2.5
403.29919	11.0
459.14496	4.3
503.35068	7.9
509.34137	2.8
547.39490	3.3
565.40393	30.5
566.40570	1.9
583.41412	100.0
584.41864	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
53.82140	1.3
55.01869	1.7
55.05506	19.5
56.58749	1.3
57.07070	12.7
59.04990	5.1
60.25109	1.2
65.03617	1.2
65.03915	5.9
67.05499	35.8
69.03419	10.3
69.07062	22.2
70.97408	3.6
77.03919	1.8
79.05486	31.6
80.31197	1.2
81.06322	1.5
81.07047	43.1
83.04971	9.5
83.08616	10.0
85.06530	8.9
91.05470	56.3
93.07037	65.3
95.04948	14.3
95.08595	40.7
97.06522	6.3
103.05457	5.6
105.04534	2.1
105.07017	81.8
107.04926	1.8
107.08582	51.7
109.06508	13.4
109.10136	28.0
111.08057	2.7
115.05426	7.6
116.06264	2.6
117.07013	21.3
119.04945	1.5
119.08569	98.5
121.06506	8.3
121.10134	52.8
122.07298	1.8
123.08053	20.9
123.11694	6.9
125.05969	4.7
125.09626	3.2
128.06198	17.3
129.06984	18.7
130.07785	10.6
131.08560	37.9
132.09361	1.5
133.06497	3.5
133.10120	46.1
135.08034	12.2
135.11688	14.8
137.09584	12.7
139.11172	2.3
141.06998	11.0
142.07788	31.4
143.08546	48.6
144.09344	8.8
145.06467	2.0
145.10112	64.0
147.08026	23.5
147.11678	20.2
149.09584	8.6
149.13269	5.0
151.07539	16.2
151.11229	1.4
153.06979	7.6
154.07774	5.1
155.08528	22.9
156.09328	27.7
156.10526	2.3
157.10114	64.6
158.10873	10.5
159.08041	4.7
159.11682	31.9
161.09610	6.4
161.13217	8.9
163.11143	9.6
165.07053	8.0
165.09114	43.3
165.12715	1.3
166.07803	4.8
167.08542	17.5
167.10641	15.2
168.09332	12.7
169.10110	35.4
169.11511	2.3
170.10880	11.9
171.11685	40.4
172.08775	2.1
172.12424	3.5
173.09598	7.0
173.13232	31.0
175.11259	5.9
175.14777	8.8
178.07825	2.3
179.08542	18.1
179.10146	1.6
179.10687	1.1
179.14246	1.5
180.09280	8.1
181.10114	18.0
181.12054	6.7
182.10915	10.5
183.11676	31.2
184.12531	7.1
185.09634	2.5
185.13254	22.9
187.11194	2.4
187.14783	8.4
189.12735	7.6
191.08632	2.2
191.10623	2.0
191.14275	9.0
192.09366	6.8
193.10127	21.9
194.10904	16.4
195.11681	29.9
195.13499	1.6
196.12383	8.7
197.09641	1.5
197.13239	26.2
198.10373	2.1
199.11145	2.8
199.14818	20.9
201.12752	2.7
201.16396	3.8
203.08557	3.5
203.14299	18.1
204.09389	2.2
205.10190	4.7
205.15822	2.2
206.10893	10.0
207.11710	21.9
207.13817	8.7
208.12401	11.8
209.13263	26.1
209.15260	3.1
210.14005	3.5
211.11261	3.3
211.14767	15.4
212.15378	1.2
213.12778	3.3
213.16461	5.3
214.13309	2.1
215.08582	1.3
215.14453	3.1
217.10124	6.4
217.15904	9.6
218.10977	4.5
219.11633	9.6
220.12418	10.9
221.13257	20.6
221.15399	77.8
222.14093	3.4
223.14796	18.0
224.15691	2.6
225.12767	2.2
225.16418	8.6
225.18324	1.8
227.14342	3.9
227.17953	1.7
229.15811	2.2
230.10938	2.0
231.11740	7.7
231.13841	2.3
231.17424	2.7
232.12437	5.2
233.13245	13.1
233.15375	6.7
234.14043	5.0
235.14731	16.0
235.16837	1.4
236.15521	3.1
237.12814	3.0
237.16336	10.7
238.17152	1.5
239.14362	1.6
239.17998	5.0
241.16003	2.2
243.11726	3.3
243.17545	2.4
244.12509	2.9
245.13213	9.1
246.14050	6.5
247.14865	11.7
247.17099	3.1
248.15677	3.0
249.16389	14.2
250.17171	2.8
251.17874	7.3
253.19624	2.4
255.17480	2.0
257.13275	3.9
257.19043	7.4
258.13995	3.1
259.14816	8.7
260.15616	5.1
261.16360	11.9
262.17014	2.8
263.17969	7.3
265.19534	8.0
267.17453	2.0
268.12912	1.5
269.13062	2.2
269.19031	5.0
271.14819	3.5
271.20544	2.3
272.15701	1.6
273.16269	6.3
274.17145	3.1
275.17834	13.6
276.18799	2.2
277.19519	5.7
279.17328	1.9
279.21060	2.7
281.19064	3.9
283.14987	1.4
283.20517	16.6
285.16235	2.7
287.17603	3.2
287.20178	5.0
288.18616	1.6
289.19620	4.6
291.21066	1.4
293.19043	3.2
295.20471	3.2
297.16385	2.1
297.22208	6.3
298.17444	1.8
300.20956	3.5
301.19418	3.5
303.21182	3.1
307.20673	3.4
309.22061	1.9
313.19501	1.8
315.21066	1.9
317.22559	2.5
319.20728	2.6
321.22131	2.3
331.24237	5.6
333.22171	2.0
335.23679	2.6
341.22723	1.7
343.23975	1.9
347.23755	3.4
349.25192	8.9
352.24002	2.2
357.25967	2.4
361.25342	2.9
365.25009	2.1
371.23633	1.5
373.25302	1.8
375.26837	8.7
403.29935	8.2
427.30164	2.0
491.35141	4.3
503.35291	4.3
509.34015	2.3
547.39276	4.7
565.40491	22.1
583.41437	100.0
584.41638	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.8
51.02375	1.5
53.03932	5.1
55.01867	1.8
55.05286	1.2
55.05509	18.6
57.07071	12.6
57.35346	1.3
59.04985	4.5
60.09127	1.0
63.02398	1.1
65.03925	4.1
67.05498	30.4
68.62914	1.2
69.03432	9.6
69.07061	19.2
69.52333	7.0
69.52760	4.6
71.04958	1.3
79.05486	32.1
81.03420	2.1
81.07050	43.0
83.04979	10.5
83.08607	10.7
85.06543	9.7
91.05473	54.4
93.07037	72.5
95.04964	14.8
95.08598	46.2
97.06510	5.0
103.05446	5.8
105.04570	1.9
105.07020	91.6
107.04951	2.1
107.08584	54.6
109.06512	11.5
109.10150	21.9
111.08064	4.8
111.69939	1.3
115.05428	6.2
116.06223	2.5
117.07011	21.3
119.08571	100.0
121.06499	5.9
121.09262	3.0
121.10134	56.4
123.08060	23.7
123.11672	7.0
125.05981	3.4
125.09632	1.8
128.06207	17.0
129.06998	23.6
130.07759	10.3
131.04947	1.3
131.08554	40.8
132.09375	1.5
133.06506	5.0
133.10120	50.7
135.08047	15.4
135.11687	16.3
137.05994	1.6
137.09610	15.9
139.11220	2.9
141.06960	11.2
142.07770	35.1
143.08549	54.2
144.09360	9.7
145.06451	2.9
145.10110	59.6
147.08038	23.7
147.11681	18.7
149.09604	8.0
149.13251	3.9
151.07527	21.7
153.06938	6.2
153.09079	1.4
154.07780	5.2
155.08548	24.8
156.09346	24.4
157.10118	73.6
158.10904	9.4
159.08022	4.2
159.11688	36.1
160.12384	1.5
161.09564	6.9
161.13261	10.5
163.11174	9.3
165.06989	11.7
165.09099	42.5
166.07742	6.6
167.08557	14.6
167.10666	15.5
168.09309	13.1
169.08694	1.6
169.10124	35.4
170.10909	13.3
171.11674	41.1
171.13074	2.5
172.12418	2.5
173.09677	2.8
173.13255	30.3
175.11211	4.8
175.14812	11.3
177.09047	1.4
177.12723	2.4
178.07799	3.8
179.08530	23.2
180.09341	10.6
181.10107	20.1
181.12248	6.8
182.10878	12.9
183.11674	33.5
184.12434	8.7
185.09694	2.9
185.13228	22.5
185.14764	1.5
187.11186	4.2
187.14777	10.3
189.12708	7.5
189.16446	2.0
191.08577	4.1
191.14268	10.9
192.09344	9.8
193.10118	21.2
194.10893	14.8
195.11688	27.9
195.13284	1.1
196.12445	7.1
197.09691	1.5
197.13246	26.3
198.14044	3.1
199.11128	1.6
199.14801	18.6
201.12779	3.8
201.16409	4.5
203.08627	3.4
203.14293	19.3
203.16026	1.6
204.09215	1.5
205.10117	7.4
205.15846	2.3
206.10881	11.6
207.11713	26.4
207.13818	8.7
208.12473	9.1
209.09995	1.5
209.13237	40.2
209.15257	3.0
210.14035	5.1
211.14841	13.4
212.15494	1.4
213.12770	1.9
213.16393	5.2
215.14368	2.8
215.18051	1.7
216.09390	2.3
217.10126	5.4
217.15863	13.1
218.10941	3.8
219.11719	9.7
219.17471	1.4
220.12411	10.4
221.13268	19.9
221.15393	80.7
222.13968	4.7
222.15915	2.0
223.11334	2.9
223.14781	17.0
224.15652	2.8
225.12852	2.4
225.16385	6.9
227.14342	3.4
229.15929	2.2
230.10947	3.0
231.11697	9.0
231.13681	1.9
231.17482	4.8
232.12415	6.7
233.13210	15.1
233.15414	6.6
234.13948	6.1
235.14784	15.0
235.16864	1.8
236.15530	4.1
237.12697	2.1
237.16389	8.2
239.14374	1.9
239.17772	5.9
241.15999	1.4
243.11696	3.9
243.17490	3.3
244.12535	3.4
245.13202	9.3
246.14012	6.9
247.14787	16.0
247.16988	3.0
248.15581	3.9
249.16437	11.7
250.17238	3.2
251.14201	1.8
251.17880	8.6
253.15918	1.7
253.19357	1.8
257.13303	3.2
257.18936	10.0
258.14047	2.6
259.14755	6.9
260.15601	5.6
261.16327	11.4
262.17230	2.6
263.17923	7.1
265.19568	7.6
267.17401	2.1
269.13144	1.5
269.19031	5.2
270.14160	1.6
271.14917	3.5
271.20547	2.9
272.15552	2.8
273.16379	6.6
274.17258	2.2
275.17865	13.2
276.18582	2.0
277.19531	4.5
279.21085	2.2
281.19022	2.3
283.14825	1.5
283.20569	17.4
285.16211	2.6
285.18997	1.8
285.21915	1.5
286.19415	2.2
287.17606	3.1
287.20166	4.5
288.18622	1.7
289.19507	5.3
290.20166	2.3
291.21146	2.5
293.18890	3.0
295.20590	4.9
297.16400	2.6
297.22037	4.8
299.17615	2.7
300.21021	3.5
301.19189	2.6
301.22162	2.0
303.21112	3.2
307.20688	1.6
309.22083	1.6
310.16891	1.6
315.20984	3.0
319.20575	2.1
328.22098	1.5
331.24039	7.7
335.23895	2.2
347.23672	3.5
349.25232	9.2
351.23447	1.5
352.24219	2.1
357.25696	2.2
365.24603	2.1
373.25452	2.2
375.26813	8.8
401.28424	1.7
403.29953	7.0
413.28482	1.5
485.34430	2.1
491.35132	5.6
503.35574	7.2
509.34229	2.8
545.52545	1.5
547.39459	3.8
565.40436	29.6
566.41266	2.0
583.41437	95.6
584.41663	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	583.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01857	5.1
55.05501	26.3
57.03442	10.4
59.04989	4.2
65.03913	3.4
67.05498	100.0
69.03424	21.0
69.07056	9.1
71.01349	2.1
71.04974	8.3
71.70495	2.0
79.05482	23.4
81.03410	99.3
81.07050	35.7
83.04972	18.7
83.08614	21.7
85.02894	21.4
85.06535	3.9
91.05464	31.7
91.05987	2.5
93.07041	16.8
95.04960	24.8
95.08588	11.3
97.02886	13.8
97.06514	6.4
97.10155	10.6
99.04459	4.7
99.08071	1.6
105.07025	18.2
107.04955	8.3
107.08574	12.6
109.02875	21.3
109.06504	6.3
109.10146	64.2
111.04435	19.5
111.08038	9.3
113.06005	1.8
117.07024	3.8
119.04878	1.5
119.08572	19.9
121.06503	3.0
121.10139	7.9
123.04423	4.3
123.08044	3.3
125.09641	8.3
127.03902	13.4
129.05493	2.7
129.07002	7.5
131.04878	2.9
131.08531	9.2
133.06487	3.7
133.10130	10.0
135.08063	2.6
135.11681	2.2
137.06001	3.3
137.09650	4.5
139.03928	3.2
143.08514	1.9
145.06479	1.8
145.10092	3.2
147.04381	1.6
147.08015	3.0
147.11662	10.4
149.06033	2.1
149.09589	5.2
153.12785	1.7
155.10680	2.2
157.10106	8.3
163.11229	3.7
165.12755	2.6
165.94873	1.3
167.07097	3.1
171.11742	1.6
173.04491	1.8
173.09552	1.8
173.11739	22.2
173.13150	2.2
175.11177	9.8
181.12238	3.7
189.11195	4.3
189.12756	1.7
191.10719	1.8
193.12212	31.3
209.11736	1.7
211.13268	42.0
227.12755	8.0
229.14304	16.5
235.13377	3.8
249.14949	2.7
259.13071	1.8
267.15891	9.1
273.14682	2.1
277.14453	1.8
285.17014	3.5
299.14819	8.8
301.14392	5.1
309.17053	2.6
337.16589	2.0
355.17505	12.3
373.18561	2.6
375.17993	2.2
393.19116	2.0
411.20172	4.4
416.21579	1.4
421.25876	7.1
439.26886	15.9
455.26602	2.1
463.27011	1.6
505.28052	3.3
529.28046	2.2
547.29156	3.4
565.30072	6.5
583.31073	72.3
584.31183	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51549	0.8
53.03920	1.0
55.01857	0.9
55.05498	1.6
60.08260	0.8
67.05495	4.2
69.03417	0.7
69.07049	1.0
73.72846	0.7
79.05478	3.7
81.03409	0.7
81.07053	8.6
83.01346	7.1
83.04944	1.9
83.08598	1.0
91.05461	6.0
91.21992	0.6
93.07025	3.1
95.04942	1.3
95.08582	2.6
97.06532	1.2
103.05466	7.0
105.07012	2.9
107.05000	0.9
107.08585	2.1
109.06511	2.6
109.10123	1.5
111.04455	1.3
115.05411	1.5
117.06998	0.8
119.08566	3.3
121.10118	2.2
123.11693	1.0
125.05954	2.4
127.07540	7.2
131.04913	20.1
131.08542	3.1
133.10106	2.3
135.11623	1.3
138.03128	3.5
145.10126	1.6
147.11649	1.5
149.05989	1.3
151.03943	1.3
152.04668	1.7
153.05452	2.7
157.10126	0.8
159.11699	1.0
165.09019	0.8
166.02605	1.7
167.07033	1.2
171.11664	1.2
177.05424	1.0
181.04941	100.0
183.06528	2.3
183.11691	1.2
184.03671	4.6
191.08470	1.0
193.10161	1.2
195.06508	28.4
209.13264	0.7
213.07542	13.8
219.07991	4.7
221.15363	1.1
225.09625	0.8
230.04175	1.0
235.11227	1.1
238.07181	0.7
243.10211	0.9
249.07608	0.9
261.09024	1.5
269.11865	0.8
274.24304	0.7
285.11194	39.3
299.12750	30.8
300.12952	0.9
325.10770	0.9
387.15790	3.0
411.15854	1.0
429.17197	3.7
491.35272	2.0
583.30084	0.8
583.41376	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	583.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05497	2.3
56.96263	0.7
67.05493	6.3
68.99786	1.0
69.03426	0.8
79.05492	4.2
81.03395	3.2
81.06619	1.1
81.07056	13.2
83.01337	7.5
83.04956	3.1
83.08590	0.8
84.96851	0.7
85.02889	0.7
91.05478	8.2
91.75355	0.6
93.07033	2.9
94.06400	0.6
94.90176	0.6
95.04977	5.3
95.08603	3.2
97.06520	1.0
97.10147	1.3
98.21506	1.2
99.08015	0.8
103.05461	31.5
105.03393	9.7
105.07032	4.1
106.00799	0.6
107.04946	1.4
107.08566	2.2
109.05874	0.6
109.06504	5.2
109.10158	1.6
111.04414	2.0
113.06046	1.6
115.05449	1.9
117.07001	2.2
119.08568	2.2
121.06538	0.9
121.10155	1.0
123.04441	1.1
123.08061	3.1
125.05971	2.3
125.09637	0.7
127.07557	7.9
129.07028	2.2
131.04919	100.0
131.08516	1.7
132.05270	1.1
133.10106	1.6
137.05968	2.2
139.07520	0.6
141.06990	2.2
143.08543	1.4
143.43837	0.6
145.06479	1.6
145.10118	1.9
147.04364	0.9
147.08049	0.9
147.11688	1.1
149.05945	2.5
151.07536	15.9
152.04704	1.8
153.05495	2.6
154.07697	0.9
155.04964	1.6
155.07016	9.2
155.08504	2.1
157.02811	0.9
163.11197	0.8
165.09273	0.7
166.07799	0.8
167.07042	2.0
167.08510	0.8
169.08603	41.5
169.10043	2.7
170.08963	0.8
173.05948	7.1
173.09641	0.8
175.03955	1.4
177.05521	1.9
179.08560	1.9
181.04938	5.6
181.06343	1.1
181.10173	0.9
182.07291	1.2
183.08052	2.4
193.10150	2.4
193.11926	0.7
195.06519	46.5
196.06836	0.9
197.09589	5.0
199.06073	1.5
200.08434	1.1
201.09091	11.7
202.07761	2.0
211.13249	0.9
213.07568	20.1
215.08521	0.7
217.10208	1.5
225.09109	3.3
227.12637	0.7
235.11191	1.3
237.07588	14.4
239.10497	1.3
243.10167	21.7
257.11728	1.1
259.11072	0.7
261.09061	0.9
267.10052	0.9
275.20111	2.8
279.10062	1.7
285.11200	21.0
293.11896	2.0
298.38593	0.7
299.12762	37.2
311.08954	0.7
323.12680	4.6
325.10791	5.4
335.12775	1.2
341.13824	31.5
342.14139	1.0
343.12906	0.8
371.16681	1.5
383.16431	0.8
396.13742	1.6
397.14200	1.9
411.16037	3.4
429.16879	18.8
547.21167	3.3
565.22180	43.7
566.22485	1.7
583.23267	18.3
583.32794	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05498	2.3
57.03442	1.1
67.05497	6.7
68.82471	0.7
68.99783	2.5
69.03417	2.2
69.07044	1.0
70.37679	0.7
71.72573	1.1
79.05495	3.9
81.03406	3.3
81.07051	12.6
83.01326	8.0
83.04958	3.2
83.08640	0.9
85.06538	0.8
91.05473	6.3
93.07033	3.6
94.17809	0.8
95.04959	3.9
95.08596	4.7
97.02863	0.9
97.06508	1.8
97.10155	1.2
103.05453	32.7
105.03375	10.0
105.07024	3.9
107.04974	1.6
107.08558	2.8
109.06501	5.4
109.10145	2.0
111.04445	2.2
113.06011	1.2
115.05443	2.2
117.07015	2.7
119.08578	1.4
121.06494	1.1
121.10151	0.8
123.08075	5.7
123.11732	0.8
125.05953	3.1
127.07532	10.2
129.06969	2.7
131.04912	100.0
131.08585	2.2
132.05243	1.7
133.06445	0.9
133.10146	1.1
137.05952	2.1
139.03873	0.9
141.06943	1.9
143.08540	1.7
144.08090	0.8
145.06512	1.5
145.10051	1.5
147.08054	2.0
147.11740	1.2
149.05946	2.6
151.07524	30.2
152.04659	2.0
153.05450	2.5
155.04858	1.8
155.07010	4.3
155.08519	2.8
157.10114	0.9
159.11707	1.0
165.06912	1.1
166.07794	1.4
167.07074	1.3
167.08623	1.1
169.08586	91.3
170.42378	1.0
171.08072	0.9
173.05965	22.5
173.07477	1.2
175.03818	1.0
177.05461	2.6
179.08560	1.8
181.04964	3.8
183.08044	1.8
189.11266	1.2
193.10066	2.1
195.06514	66.9
196.06955	1.2
197.09636	6.5
200.08318	1.2
201.09116	12.8
202.07742	2.5
209.08067	2.3
213.07535	22.6
213.09424	1.6
215.08627	1.0
217.10143	2.2
225.09082	3.5
227.12682	1.0
237.07562	34.7
243.10175	20.3
257.11746	1.8
279.10110	1.1
285.11188	11.5
293.11710	2.9
299.12753	29.1
311.09152	1.4
319.09650	1.0
320.10291	1.1
323.12683	3.8
325.10721	1.8
335.12653	1.9
341.13800	90.3
342.14194	1.5
371.16458	1.9
396.13461	3.4
397.14023	0.8
411.16003	4.8
411.20419	1.0
412.16962	1.0
429.16949	8.6
439.27100	1.0
440.11972	1.0
532.18774	0.8
547.20728	5.1
565.22174	47.9
566.22467	1.2
583.22992	12.2
583.31616	2.4
583.40216	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	583.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97138	1.0
53.03930	2.2
55.05493	1.8
58.24639	0.9
66.45443	1.0
67.05490	3.6
68.99781	0.9
69.03417	1.2
69.07061	1.3
71.72624	1.2
78.37881	1.0
79.05486	5.3
81.03428	0.9
81.06606	1.5
81.07048	15.8
83.01331	11.6
83.04967	2.8
86.37717	0.8
91.05469	8.8
93.07058	4.4
95.04970	2.5
95.08588	1.9
97.06566	2.2
97.10130	1.2
99.08077	1.0
103.05454	39.6
105.07019	4.7
105.22473	0.8
107.08583	2.1
109.02879	1.0
109.06513	5.9
109.10139	2.2
111.04435	1.6
117.07006	1.4
119.08571	2.3
121.06533	1.7
121.10099	1.7
125.05978	4.2
127.07539	11.3
128.39174	0.9
131.04912	69.2
131.08540	1.5
133.10089	1.9
139.07605	1.0
145.10135	1.5
149.05981	3.8
152.04677	3.6
153.05478	4.4
157.10245	1.2
167.07018	3.0
167.10573	1.2
167.26241	1.1
171.11716	1.4
177.05464	3.9
181.04955	15.6
195.06502	52.7
199.06070	2.6
213.07559	21.7
213.09425	1.9
237.45615	0.9
269.08075	1.5
285.11182	23.5
287.09195	1.1
299.12744	100.0
300.13028	2.7
373.14264	1.9
415.15387	3.5
435.17886	2.3
511.13623	1.2
583.40015	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	583.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.6
67.05499	1.0
71.16846	1.2
79.05476	1.7
81.07050	6.1
83.01334	8.0
83.04951	1.3
91.05476	8.0
93.07024	1.4
95.08598	1.3
97.06501	0.8
99.08101	0.7
103.05484	3.8
105.03388	1.2
105.07004	1.1
107.08570	0.9
107.64211	0.6
109.06511	3.2
111.04436	1.3
115.05430	1.9
117.06962	0.9
119.08534	0.9
125.05979	2.8
127.07550	6.2
129.07039	0.7
131.04913	15.5
131.05905	0.8
131.08563	1.1
133.10086	0.8
138.03088	2.1
143.08514	0.6
145.10172	0.9
149.05943	2.0
151.07585	1.2
152.04697	1.3
153.05481	1.5
163.81874	0.5
165.06906	0.7
166.02599	2.6
169.08615	2.6
177.05458	2.1
178.07759	0.8
181.04944	100.0
182.05229	0.9
184.03641	4.4
190.07663	0.8
191.08522	3.4
193.10187	2.7
195.06525	29.5
212.38797	0.5
213.07567	11.1
213.56972	0.6
219.05879	0.9
219.08020	16.1
219.10031	1.1
225.09492	0.5
235.11183	2.1
243.10094	2.5
261.09100	1.9
283.09674	1.2
285.11200	21.3
286.11322	0.6
299.12775	17.5
325.10703	1.2
343.64249	0.6
359.12756	0.7
373.14432	0.9
387.15909	11.0
411.15829	1.7
415.15149	1.1
429.16943	16.6
491.34998	0.8
565.39221	0.7
583.40100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.51932	0.4
67.05475	1.9
69.03398	1.0
70.89725	0.7
70.90058	0.9
70.94581	0.5
79.05492	2.8
81.07049	8.7
83.01330	8.1
83.04958	1.2
91.05474	6.9
93.07043	1.5
95.04967	1.1
97.02878	1.3
97.06512	1.6
97.87273	0.5
103.05461	8.4
104.82959	0.7
105.03387	1.0
105.07040	1.1
107.04946	1.6
109.06541	3.9
111.04390	0.8
115.05432	3.0
125.05970	3.8
127.07537	7.3
131.04918	26.5
149.05977	2.0
151.07532	1.2
152.04672	1.5
153.05444	2.8
157.06497	0.6
167.07022	1.7
169.08578	3.6
177.05444	2.1
178.07808	0.8
181.04948	100.0
182.05305	0.7
191.08559	3.0
193.10141	4.4
195.06519	41.8
199.06012	2.0
213.07556	14.0
218.07370	0.8
219.08049	16.2
225.05441	0.7
233.09695	0.5
235.11096	1.9
235.27245	0.5
243.07930	0.8
243.10173	4.0
257.11719	0.6
261.09146	2.5
267.10309	0.5
283.09628	4.1
285.11206	22.3
297.11411	0.6
299.12769	33.3
301.14398	1.1
325.10687	1.8
373.14407	1.0
387.15854	11.2
400.34329	0.6
411.15894	2.0
415.15176	1.8
429.16980	21.7
565.21753	0.7
583.22778	3.0
583.40704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
54.07935	1.0
55.01865	1.7
55.05499	1.1
65.03931	2.0
66.04697	1.2
67.05505	6.9
69.03429	4.0
70.31901	1.1
71.06457	2.5
71.06833	2.6
78.04694	2.8
79.05483	7.9
81.03409	16.1
81.07049	4.5
81.85894	1.1
83.04966	2.6
85.02878	2.4
85.06557	1.2
91.05460	8.0
93.07022	2.9
94.04188	4.2
95.04955	5.4
100.79108	1.4
103.05466	5.2
105.07010	8.9
106.04081	1.8
107.04939	12.7
109.02908	2.5
109.06490	1.2
109.10172	5.3
111.04438	1.9
111.08057	2.3
115.05449	12.0
116.06299	1.4
117.07012	12.0
119.04939	1.2
119.08567	1.9
121.06474	2.7
122.03635	10.7
123.04417	7.0
124.05219	2.7
125.05999	2.0
127.03879	1.7
128.06252	1.2
129.06999	3.5
131.04927	4.9
131.08543	3.0
132.05675	1.8
133.02829	2.1
133.06470	8.4
135.04375	1.2
137.05966	100.0
139.03870	3.1
143.04916	1.9
143.78931	1.2
144.05743	2.7
145.06491	17.6
147.04375	2.8
147.08047	4.0
149.05949	3.5
151.03893	16.9
151.07549	3.4
152.04706	2.3
153.05461	2.4
155.06036	2.6
156.05673	1.1
157.06482	2.2
157.10120	1.1
159.04434	1.8
159.08052	2.8
160.05240	1.8
161.05971	16.3
163.07608	1.3
165.07152	1.5
167.07031	86.0
169.06528	1.4
169.33922	1.1
172.05173	1.4
173.05968	15.1
173.11769	1.7
174.06718	1.3
175.07547	7.4
177.05496	3.2
179.07016	4.8
181.04993	16.1
181.06456	2.4
181.08517	1.8
184.05200	1.2
187.07532	5.8
190.06233	3.4
191.07028	4.9
193.08604	8.0
193.12221	2.7
195.06528	2.2
197.05962	2.5
198.06857	1.3
202.06238	2.0
203.07018	3.9
205.08557	15.8
207.06519	12.6
207.10167	3.1
208.05209	1.8
210.06750	1.4
211.07518	2.6
211.13196	2.5
214.06348	1.3
215.06979	1.4
217.08617	10.7
219.08147	2.3
219.10187	5.2
221.06091	1.5
221.08052	2.4
223.07587	2.2
223.09547	1.5
225.05487	1.3
226.06216	3.8
227.07106	1.5
229.08441	2.0
231.08121	1.4
233.07906	6.3
234.06631	1.6
235.07439	2.8
235.09605	20.5
236.04567	1.5
237.05374	1.3
237.11243	1.3
239.06998	2.2
241.08585	6.4
242.05692	1.2
243.06487	1.8
243.10141	1.5
245.07985	1.7
247.09622	2.1
248.08447	1.7
252.07811	1.4
254.05698	2.0
255.06618	1.8
257.08127	4.1
261.09256	2.2
262.06375	2.0
263.06940	1.7
264.07880	1.7
268.07254	1.7
269.08032	6.3
271.06021	3.4
271.09607	1.3
273.09164	1.6
277.08420	1.8
279.06454	1.4
279.10239	2.1
283.09570	1.7
285.07751	1.7
286.08215	1.4
289.10843	2.6
291.09988	1.5
292.07541	1.8
293.08105	2.2
293.11502	1.4
295.09692	4.3
296.06732	1.4
297.07471	1.9
299.05618	1.5
299.09015	1.4
301.10864	6.1
303.12305	1.3
305.07907	1.7
306.08804	1.4
307.09686	4.2
308.06973	1.5
308.10596	1.4
309.07465	1.2
313.10757	1.6
314.07779	3.9
315.08633	1.6
318.08929	1.5
319.09500	2.6
321.07791	2.2
321.11230	3.1
323.09128	3.2
323.12732	1.5
327.12329	2.4
329.10236	16.0
330.11011	2.6
331.11624	3.6
335.09338	2.2
336.09933	1.6
337.10577	3.9
339.12292	2.0
349.10703	2.7
351.12134	4.3
353.13647	1.6
355.11746	4.7
357.13281	2.3
361.10776	1.5
363.12497	2.0
367.11673	3.0
369.13330	4.5
371.15051	1.6
373.12982	1.8
379.11639	1.7
381.13626	8.8
383.14825	4.5
385.12723	3.7
387.14380	2.7
391.11731	1.7
393.13385	2.4
395.15167	2.1
397.12637	3.9
399.14423	6.3
411.14395	6.9
413.16489	1.6
423.14514	3.0
429.15424	2.5
441.15582	7.2
459.16498	26.0
529.18011	1.4
535.19458	4.3
547.19635	7.7
553.20483	8.4
565.20605	18.0
566.21625	1.4
583.21704	27.5
583.30457	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	583.217
Annotation	buddlenol A
Peak:m/z	Relative Intensity
53.03933	2.3
53.54772	0.9
55.01858	1.8
55.05510	1.2
57.03415	1.1
58.79834	1.0
65.03921	3.3
66.04709	1.1
67.05502	9.1
67.93459	1.2
68.98529	1.1
69.03415	3.2
69.07062	1.2
69.37595	9.2
78.04684	2.5
79.05489	8.0
81.02953	1.1
81.03405	16.2
81.07035	3.9
83.04954	1.9
83.08596	2.6
85.02890	3.0
89.17550	0.9
91.05477	9.8
93.07029	2.5
94.04183	5.0
95.04967	5.2
97.02842	1.6
97.06485	1.0
100.14313	1.0
103.05428	5.1
105.07027	11.9
107.04953	15.1
107.08595	1.3
109.02842	2.1
109.06496	2.2
109.10164	3.7
110.03713	1.6
111.04430	3.3
111.08097	1.1
115.05434	13.2
117.07008	12.9
118.04108	1.5
119.04912	1.1
119.08560	4.0
121.06483	1.7
122.03630	9.9
123.04461	7.3
124.05178	3.4
125.05988	2.4
127.03896	1.7
128.06236	2.0
129.07030	2.4
131.04930	5.5
131.08578	1.8
132.05714	1.9
133.02826	2.9
133.06470	9.6
137.05965	100.0
139.03894	2.3
141.06940	1.3
143.04918	2.3
144.05679	3.2
145.06487	17.1
146.03563	1.3
147.04364	2.7
147.08006	3.5
149.05930	4.2
151.03900	15.8
151.05013	2.3
151.07497	2.8
152.04630	1.6
153.05441	4.0
155.05994	3.5
156.05696	3.6
157.06454	2.2
157.98677	0.9
158.07306	1.1
159.04292	1.3
159.08051	2.3
160.05212	1.9
161.05951	13.1
163.03917	1.9
163.07533	2.4
165.05463	2.1
167.07030	85.4
168.07256	1.2
171.06493	1.3
172.05135	2.1
173.05952	12.4
173.11734	2.0
174.06709	1.2
175.07536	6.4
175.11217	1.3
177.05487	2.8
178.06262	1.3
179.07071	4.9
181.04968	12.8
181.06413	2.6
181.08621	2.8
183.06590	1.1
184.05193	1.4
185.06047	1.4
187.07585	4.9
189.05424	2.7
190.06207	4.1
191.07010	5.1
193.08574	8.6
193.12143	1.7
195.06543	2.8
197.05945	3.1
198.06570	1.6
199.07495	1.4
201.05470	1.8
203.07025	3.2
205.08597	15.2
206.05576	1.4
206.07257	1.4
207.06523	8.4
207.08157	2.2
207.10143	2.8
208.05066	1.4
209.07996	1.3
211.07498	3.4
211.13258	2.9
215.06915	1.3
217.08582	8.5
218.07262	1.5
219.06465	2.2
219.10175	3.9
221.08144	3.0
223.07578	2.0
225.05431	1.6
226.06218	1.7
229.14362	1.7
231.08136	1.2
233.07863	5.2
234.06760	1.6
235.07472	2.2
235.09624	17.8
237.05382	1.6
241.04979	1.3
241.08577	6.5
247.07535	2.0
247.09673	2.3
248.08260	1.4
251.07043	2.2
252.07718	1.5
253.13136	1.3
254.05621	2.1
257.08093	3.5
260.08215	1.2
261.09119	1.9
262.06241	1.2
263.06870	1.8
264.07800	1.4
265.08548	2.0
267.09897	2.3
268.07269	2.0
269.08063	5.8
270.09018	1.3
271.05991	3.3
276.07782	1.9
277.08719	2.1
278.09290	1.3
279.06378	1.8
279.10080	1.3
283.09537	2.3
289.10742	2.8
290.09198	1.1
291.06519	1.9
291.10062	1.7
292.07193	1.3
293.08270	1.8
295.09622	3.7
297.07605	2.5
299.05386	1.2
301.10687	5.9
303.12360	1.8
306.08878	1.6
307.09528	4.1
309.07703	2.1
309.10977	1.6
313.10556	1.4
314.07913	3.2
315.12292	1.3
319.09540	2.1
321.07541	2.2
321.11127	2.0
323.09210	2.1
323.12732	1.7
325.10504	1.5
327.12225	2.9
329.10242	15.2
330.10703	1.4
331.12021	4.9
335.09048	1.5
336.09717	1.6
337.10593	4.7
339.12225	3.6
347.09015	1.2
349.10577	1.9
351.12119	4.1
353.13760	1.3
355.11594	3.7
357.12921	1.8
363.12115	3.0
367.11786	2.9
369.13196	4.5
371.14844	1.9
373.12872	1.3
379.11597	2.1
381.13345	6.8
383.14670	3.3
385.12634	3.7
387.14279	2.7
395.15076	2.5
397.12842	4.0
399.14221	4.7
411.14328	5.3
413.15848	1.6
423.14258	1.7
429.15244	3.0
441.15320	3.9
459.16537	20.3
497.16299	1.3
517.18597	1.5
535.19330	3.1
547.19592	6.6
553.20770	9.6
565.20618	19.8
583.21466	23.1
583.30963	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	583.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15626	0.8
53.03933	1.5
55.01853	4.7
65.03932	19.5
67.05494	6.1
69.03418	1.9
71.21161	2.2
79.05479	3.5
81.03401	3.0
82.04185	4.4
83.04893	1.0
85.02881	2.4
87.84542	1.1
88.36400	1.1
89.82293	1.0
91.05463	5.6
93.03402	6.1
93.06977	1.1
95.01311	2.9
95.04946	4.9
97.02860	1.3
97.06511	1.9
98.75225	1.0
105.07014	2.8
107.04919	6.0
108.02074	3.6
109.02836	1.4
109.10120	1.9
110.03647	20.2
111.04435	35.2
115.05447	1.9
117.03385	1.1
117.44926	0.9
119.04916	1.5
121.02857	15.1
121.06470	2.0
122.03650	1.4
123.04460	1.6
125.05978	24.9
131.04915	2.3
133.02844	1.4
133.06459	2.7
135.04384	3.1
137.05952	11.7
138.03064	2.8
139.03882	2.9
141.05457	1.9
143.04906	1.7
145.06433	2.9
146.07295	1.3
147.04402	2.6
147.08037	1.5
148.05086	1.4
149.05963	2.0
151.03893	33.9
151.04990	2.1
151.07411	1.0
153.05447	100.0
154.05809	1.7
157.10107	1.2
159.08037	4.7
161.05937	6.4
162.06709	1.4
163.03929	1.6
165.05496	2.4
165.06921	1.9
167.07025	14.2
167.08392	1.8
175.07539	5.5
177.05542	2.2
178.06277	1.5
179.07022	1.9
179.08513	1.8
181.04997	2.8
181.06454	1.2
183.08116	1.8
185.05968	1.7
186.06720	1.2
187.07527	2.9
189.05499	3.2
189.07065	1.3
190.07840	1.7
191.08534	2.3
194.07359	1.8
195.06493	2.4
195.08092	2.5
196.08781	1.2
197.05945	1.2
197.09605	1.9
205.06613	1.6
205.08577	3.1
206.07353	1.1
207.08072	2.8
209.09686	1.8
210.06754	2.3
211.07565	2.3
213.09052	1.3
216.07780	3.9
217.08627	1.3
218.07185	2.0
219.08118	5.8
220.08902	3.0
221.05998	2.6
222.06685	1.1
223.07558	1.9
224.08421	1.4
225.09117	4.4
226.06238	3.3
229.08678	1.7
233.05952	1.1
233.07930	1.8
234.06699	1.8
235.07622	1.8
236.08260	3.6
237.09055	2.5
238.06302	1.8
239.06953	5.4
239.10643	3.7
247.07474	2.4
247.09665	12.8
248.08401	1.4
249.05388	1.4
249.09077	2.3
251.07072	2.3
251.10649	4.5
252.07805	2.1
253.08598	13.1
254.09230	3.8
263.07172	1.5
264.07788	2.9
265.08530	3.6
266.09262	2.0
267.10062	1.8
268.07346	1.3
269.11636	4.9
270.08841	1.5
275.07022	1.4
276.07678	2.2
277.08493	1.8
278.09473	1.0
279.10040	2.7
281.07895	2.7
282.08859	3.2
283.09570	3.2
291.10010	1.6
293.08060	1.5
294.08737	1.1
295.09695	2.6
296.10278	1.2
297.11206	10.8
307.09601	8.4
308.10223	1.9
308.72949	1.0
309.11053	2.1
309.35962	1.1
311.09109	2.2
319.09564	1.9
325.10672	52.7
326.11142	3.3
327.12302	2.5
329.13846	1.5
336.43924	1.2
337.10608	2.2
339.12259	29.3
340.12781	1.8
341.13657	2.2
351.12180	5.5
352.13101	1.8
355.11780	3.0
357.13312	57.7
358.13614	2.2
369.13281	5.8
370.14127	1.7
387.14340	5.7
409.23013	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.3
57.03429	4.6
65.03927	4.9
66.04693	2.4
67.05510	2.8
69.03404	3.2
71.04954	2.9
71.24960	5.1
78.68686	2.3
79.05476	7.4
81.03400	5.2
81.07066	2.9
85.02882	13.7
86.26871	2.7
91.05470	91.8
91.06039	4.7
94.04223	2.6
97.02879	4.0
103.03981	3.1
103.05446	2.6
105.03380	3.9
105.07021	89.9
107.04928	6.4
109.02881	3.2
115.05431	16.5
117.06956	7.8
119.04901	2.7
121.02865	6.3
122.03645	8.4
123.04398	3.6
129.07011	4.3
131.04886	3.0
133.06458	6.7
137.05972	100.0
139.03886	11.5
143.04924	9.5
145.06439	5.0
147.04384	7.7
151.03842	17.4
157.06485	7.9
163.03867	8.6
165.05486	4.5
167.07034	31.0
167.08429	5.3
171.04182	2.5
173.05986	5.8
175.03809	3.0
175.07484	3.9
177.05505	5.6
181.04965	17.3
189.05367	5.2
190.17210	2.5
193.08342	2.8
201.05396	5.7
205.04962	13.7
213.05338	2.5
217.04936	6.4
229.04860	5.0
235.09712	2.6
247.05742	4.7
249.09100	3.3
259.05978	3.0
261.09073	5.4
265.08362	3.0
271.06015	3.3
271.09439	3.5
277.08566	4.7
278.98029	2.7
283.09570	6.3
289.08548	3.0
295.09607	7.5
303.10434	2.8
307.09662	6.6
309.11295	3.9
313.10623	13.9
315.09970	3.3
319.09671	7.0
325.10568	13.5
331.09503	4.6
337.10669	23.7
343.09470	4.0
345.11383	4.0
349.10767	18.1
357.13043	8.8
361.10602	9.3
367.11844	24.4
369.12589	3.3
373.10590	6.8
379.11719	29.5
387.14407	41.6
391.11838	30.1
397.12897	12.6
403.11740	21.4
409.12656	15.2
415.13940	27.0
427.13492	10.2
433.12677	16.4
445.12936	11.1
451.13599	10.1
457.12677	5.4
463.13861	12.2
469.14786	6.9
475.13672	7.7
481.14966	22.1
493.14807	6.9
511.15875	6.0
529.16815	3.1
583.21600	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	579.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.5
67.05479	0.9
69.07069	0.7
69.67785	3.6
79.05503	1.3
81.07055	6.0
83.01342	5.6
83.04981	1.0
91.05476	6.3
93.07034	1.2
95.04949	0.8
95.08604	0.8
97.06495	0.8
103.05465	1.6
105.03382	2.9
105.07034	0.5
107.08584	0.8
109.06512	2.2
109.10116	0.5
111.04433	0.8
115.05456	3.5
117.07022	0.6
121.10175	0.6
125.05988	1.8
127.07543	3.1
128.06210	0.7
129.07002	1.2
131.04903	7.1
146.42632	0.4
149.05949	2.0
149.41107	0.4
151.07492	0.8
152.04706	1.1
153.05450	1.2
155.04875	0.9
155.08507	0.6
167.03435	1.8
167.07065	1.5
167.08365	0.5
177.05482	2.2
178.07799	1.3
179.03473	0.9
179.06993	1.0
179.08507	0.4
180.04192	0.6
181.04968	1.2
191.08543	0.7
193.10143	3.9
195.06519	14.5
197.09624	0.6
202.07764	10.2
204.37436	0.5
211.11243	0.6
213.07527	3.8
214.09885	0.8
215.08598	4.5
215.10699	1.1
216.09319	2.3
216.31734	0.4
217.10110	7.4
218.10757	1.2
239.10750	1.2
244.08824	0.7
257.09476	0.5
257.11661	2.1
275.10703	0.6
277.08679	0.6
279.10156	2.7
281.11841	0.6
285.09052	1.1
290.09335	0.9
291.10028	2.2
292.10995	2.0
293.11716	1.3
305.08212	0.6
306.08884	0.9
307.09677	2.1
307.13312	4.5
308.10397	3.3
319.09622	3.1
320.10342	5.1
321.11285	2.3
323.12817	13.5
323.16644	0.8
334.11957	0.5
335.12772	11.1
367.13229	0.6
368.13950	1.0
369.14859	3.3
370.15701	2.3
383.16269	4.0
385.17969	6.0
393.15512	0.5
395.12726	1.8
396.13623	6.1
397.14261	7.8
411.15845	14.9
412.16721	8.8
501.19870	0.6
546.20282	1.2
561.22668	9.4
561.36945	0.6
579.23737	100.0
580.23938	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	579.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55584	0.4
53.71104	0.4
60.58236	0.4
60.85648	0.4
61.73922	0.4
75.21716	0.4
81.07050	4.6
83.01332	4.2
83.04980	1.1
86.63808	0.4
91.05466	5.7
93.07057	0.6
95.04971	0.6
97.06523	0.5
98.20624	0.9
98.57352	0.5
103.05455	2.9
105.03403	2.9
105.07065	0.7
109.06502	2.3
111.04415	0.6
114.36122	0.5
115.05414	1.4
125.05995	1.4
127.07528	3.2
129.07016	0.8
129.33105	0.4
129.83148	0.5
131.04932	5.8
135.04416	0.5
139.03986	0.5
145.06541	0.7
149.06010	1.4
151.07530	0.9
152.04672	0.9
153.05458	1.1
155.04951	0.8
155.08553	0.4
163.92831	0.4
167.03365	1.2
167.07048	1.4
175.07506	0.5
177.05429	1.4
178.07806	0.6
179.03407	1.1
179.07047	1.1
180.04213	0.6
181.04922	1.1
181.06392	0.5
191.08630	0.6
193.10150	1.4
193.11794	0.4
195.06525	12.5
197.09496	0.5
202.07770	7.3
203.08456	0.7
204.09459	0.6
211.11264	0.5
213.07590	3.2
214.09900	0.8
215.08565	3.6
215.10674	1.8
216.09312	2.1
217.10110	6.5
218.10886	1.4
239.10782	1.0
243.08012	0.8
257.09488	1.1
257.11813	1.1
266.66852	0.4
278.09473	0.6
279.10233	1.2
281.11816	1.2
285.09183	1.6
290.09576	0.8
291.10138	2.4
292.10904	2.3
293.11841	1.2
306.08862	0.8
307.09631	1.7
307.13348	3.8
308.10416	2.6
319.09439	3.0
320.10455	6.2
321.11121	1.3
323.12775	9.2
323.16525	0.6
335.12787	13.7
367.12894	0.5
367.17096	0.6
368.14032	0.7
369.14838	3.7
370.15540	2.7
379.13287	0.8
383.16394	1.3
385.17957	6.6
386.18420	0.5
395.12653	3.9
396.13513	9.2
397.14355	7.7
411.15878	17.1
412.16663	8.4
415.15399	0.6
461.11823	0.6
531.18164	1.0
546.20166	1.8
561.22650	14.1
562.22681	1.4
579.23718	100.0
580.24146	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	579.1705
Annotation	6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin
Peak:m/z	Relative Intensity
53.03947	1.9
54.66056	1.3
57.03419	3.4
61.02913	2.1
69.03426	1.5
69.61504	2.9
69.61910	7.6
73.02933	1.3
81.03410	2.2
85.02914	6.7
97.02875	1.5
98.03431	1.4
98.20607	1.4
103.03969	2.4
103.05437	1.5
105.03387	21.6
109.02859	2.5
111.04440	1.4
121.02904	1.2
129.03311	3.1
137.92479	1.2
147.04482	1.1
153.01823	2.0
167.07054	2.9
177.01833	1.5
179.03418	2.0
189.01866	2.8
191.03378	6.8
195.02927	7.0
201.01735	1.3
201.05397	1.8
203.03343	7.8
205.04950	2.0
207.02811	6.2
217.05069	3.7
219.02832	3.0
221.04459	4.0
222.63164	1.3
222.99048	1.1
227.03271	1.6
229.04935	4.3
233.04485	1.9
239.03691	1.4
243.02943	1.5
245.04424	2.0
251.07050	2.5
252.07814	3.9
255.02859	2.3
257.04553	2.4
263.07040	6.1
264.07693	2.0
265.08511	6.2
267.06491	6.4
268.07181	1.8
273.03867	2.1
275.07019	3.3
277.08673	4.5
278.05722	23.7
278.08804	1.7
279.06509	82.6
280.07214	10.2
281.08054	11.4
287.05707	1.4
288.07755	1.6
289.08743	4.0
291.03232	2.7
291.06488	54.0
292.07230	20.3
293.04688	2.4
293.08029	14.6
297.07596	4.0
301.08676	1.9
303.06729	7.0
303.09882	2.1
304.07260	5.3
305.08047	33.1
306.08768	12.8
307.06262	1.9
307.09653	4.8
309.07541	100.0
310.07962	3.0
316.07382	1.6
317.08044	8.7
319.06094	2.5
319.09543	13.4
320.06693	2.9
320.10284	1.6
321.07559	66.8
322.07770	1.6
323.08908	2.9
329.08054	4.2
330.08893	3.2
331.09592	12.9
333.07587	31.8
334.08212	2.4
335.05142	2.2
335.09073	26.8
339.08578	19.9
341.08023	2.8
343.09885	1.8
344.06848	2.2
345.07574	21.0
345.11295	2.6
346.08109	2.0
347.08972	8.0
349.10803	10.3
350.11041	1.6
351.08728	3.9
357.07434	7.1
358.08380	2.0
359.09018	9.9
363.08618	54.5
369.07571	4.2
371.09076	2.2
373.10733	3.1
375.08603	31.6
377.10138	1.9
385.10617	1.7
387.08606	25.6
389.10004	1.5
393.09653	39.8
399.10599	2.9
401.10077	1.9
405.09686	22.4
411.10785	37.5
413.10120	1.5
417.10019	5.2
423.10724	29.9
425.10385	1.6
429.10040	6.9
435.10992	2.4
441.11810	71.8
442.12192	2.6
447.10776	7.3
459.12897	10.8
465.11826	25.7
471.10767	2.4
477.11649	3.2
483.12735	10.8
489.11798	6.3
495.12866	18.5
507.12811	19.4
513.13519	4.8
525.13861	22.1
543.15167	12.6
561.16052	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.151
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98267	3.5
71.24274	1.5
74.26443	0.6
76.68590	0.6
85.23838	0.6
87.18763	0.6
89.14373	0.6
100.00378	0.6
104.99263	8.9
114.37952	0.6
129.89935	0.7
130.91412	0.7
131.00807	4.3
135.44630	0.6
165.00049	1.3
185.04192	11.8
190.19125	0.7
191.01645	2.4
203.05263	27.6
219.02473	1.9
237.03459	100.0
238.03813	0.7
279.03241	1.3
297.04309	9.9
309.04211	1.2
315.05447	4.4
325.49124	0.7
339.05414	1.0
357.06458	1.1
365.10529	91.9
366.11060	1.4
501.00854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.4
57.03426	3.5
57.23057	2.3
65.03933	2.2
70.25570	2.9
70.42344	10.3
79.05489	2.8
81.03438	6.1
85.02893	14.1
85.40357	2.2
87.71908	2.4
90.41810	2.4
91.05455	3.3
93.03399	6.5
95.01321	2.6
95.04955	3.1
97.02892	9.7
97.90184	2.8
103.03922	4.2
103.05411	4.9
105.03364	2.6
105.99699	2.2
107.04942	18.6
107.18124	2.4
109.02869	9.6
111.04401	3.8
115.05429	2.3
119.04926	9.9
121.02850	16.5
121.06507	6.0
123.04411	11.1
127.03896	4.6
129.07053	3.0
131.04938	8.1
133.02806	2.6
133.06454	7.2
135.04404	22.1
137.05974	4.2
139.03883	8.6
145.06502	5.9
147.04396	25.9
149.02333	6.7
151.03877	9.4
159.04401	10.0
161.02255	3.6
161.05954	9.3
163.03880	9.9
165.01787	8.0
165.05467	5.0
171.04414	3.5
173.02301	3.4
173.05971	8.7
175.00246	5.1
175.03918	7.0
175.07561	4.4
177.01889	11.8
177.05469	7.5
183.02800	3.2
185.05927	5.3
187.03897	10.1
189.01834	18.6
189.05461	6.7
191.03378	12.6
195.02876	26.2
197.05977	3.4
197.99600	2.6
201.01791	4.4
201.05467	14.1
203.03378	14.3
203.07007	3.5
205.01328	4.3
205.04974	9.0
206.58922	2.7
207.02856	26.2
209.04321	3.7
213.05499	4.5
215.03430	16.3
217.04924	4.3
219.02879	96.5
221.00818	5.1
221.04427	11.1
223.02371	8.0
225.03770	11.9
227.03377	7.1
229.04926	24.5
231.02881	49.9
231.06468	3.6
233.04373	18.5
237.04054	3.1
239.03555	3.1
241.04887	3.3
243.02895	29.6
243.06595	6.2
245.04456	9.0
247.06070	6.6
249.03931	30.3
253.05009	4.5
255.02802	7.9
257.04471	24.9
259.02490	5.7
259.06137	5.9
261.03940	100.0
269.04367	8.1
271.05994	9.1
273.03931	34.5
275.05365	2.9
279.04858	4.4
281.04568	4.1
285.03958	63.8
287.05411	5.8
291.04980	24.4
295.05963	3.8
297.03918	20.4
297.07523	15.4
299.05450	9.1
303.05020	28.9
309.03909	10.2
309.07339	8.2
315.04929	14.3
321.05994	14.7
327.05038	56.6
327.08652	11.0
339.08188	33.2
345.06110	19.6
351.05341	2.3
351.08646	20.9
357.06064	9.1
363.07080	45.2
369.05902	9.1
375.07230	7.9
381.09674	35.4
387.07147	9.4
393.09406	23.4
405.08380	37.7
409.09058	7.9
411.10577	7.8
417.09589	5.8
423.09409	25.9
427.10175	3.4
429.11914	35.6
441.10559	32.7
447.10913	29.9
459.12802	29.4
465.11716	14.7
477.11679	5.4
483.12888	22.1
489.11655	3.3
495.12982	16.7
507.12787	8.5
525.14105	14.0
543.15112	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
55.05497	5.3
63.75732	1.7
67.05491	7.2
69.03422	5.7
69.07052	2.1
71.73373	2.0
79.05489	5.3
81.03416	4.8
81.07038	10.1
83.04979	7.5
83.08648	1.8
85.02879	2.3
91.05458	13.6
93.07024	6.0
95.04959	4.3
95.08617	2.7
105.07018	3.8
107.04893	2.1
107.08588	3.4
111.04417	6.7
119.04939	20.9
119.08602	3.6
122.28015	1.8
128.58089	1.9
131.08592	2.6
133.10144	1.9
139.03899	3.9
145.10168	2.8
147.04402	100.0
147.11694	2.7
211.13196	2.9
233.08147	1.8
257.43896	1.8
267.15799	2.6
287.05518	13.8
293.10120	7.4
325.16022	1.8
329.06537	1.9
333.13629	2.1
351.18097	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	577.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.1
55.01870	6.9
55.05278	3.1
55.05512	35.5
57.03439	12.2
57.07064	4.8
65.03925	7.2
67.05151	4.9
67.05498	83.4
69.03411	3.0
69.07063	29.0
70.21123	4.8
70.21523	5.6
71.04996	14.4
71.73325	2.4
73.99879	2.2
77.03922	2.2
79.05488	67.0
80.43656	2.2
81.03423	16.5
81.07051	100.0
83.04948	8.2
83.08620	25.6
85.06528	9.5
87.22127	2.8
91.05036	1.3
91.05468	58.9
93.07037	66.2
95.04956	16.4
95.08600	65.7
97.06515	13.2
97.10147	16.7
99.08099	3.9
103.76118	2.2
105.07025	60.3
107.04973	4.4
107.08585	35.0
109.06508	6.3
109.10155	32.5
111.08072	7.1
117.07020	18.4
119.08569	37.4
121.06507	6.5
121.10136	36.6
123.08046	6.3
123.11703	10.0
125.09612	15.1
129.07013	13.5
131.08557	31.7
133.10130	31.8
133.48717	2.2
135.08060	5.5
135.11696	20.5
137.09610	5.7
141.06972	4.4
142.07811	2.8
143.08548	9.8
144.09351	2.3
145.10127	29.5
147.07973	3.3
147.11693	21.7
149.09601	6.9
149.13246	8.1
151.11140	4.5
155.08551	8.9
157.10086	16.7
159.11670	26.1
161.09624	3.5
161.13251	13.0
163.11177	5.2
163.14799	2.8
169.10109	5.0
171.11664	11.6
173.11807	4.7
173.13182	16.6
175.11165	3.8
175.14818	7.1
177.12804	2.5
183.11700	8.2
185.13278	11.0
187.14803	7.5
189.11224	7.5
189.16231	3.3
193.12256	10.9
195.11694	3.6
195.13631	3.1
197.13246	5.3
199.13199	3.1
199.14879	6.0
207.11711	2.7
209.13319	2.7
211.14915	3.4
213.14668	3.4
227.12807	18.3
237.16331	2.9
239.16302	2.7
259.20447	3.4
261.22131	7.8
267.15887	21.8
287.23541	4.6
289.21512	4.2
301.25235	8.9
335.25836	14.0
361.27435	4.1
363.25150	3.2
417.31003	4.8
435.32578	14.2
453.33649	16.4
471.34689	10.5
509.36203	4.8
521.83527	3.4
527.37311	54.8
545.38300	50.2
557.63904	2.7
559.39954	9.6
577.41968	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	577.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01875	4.2
55.05243	2.4
55.05507	37.8
56.63339	2.2
57.03424	9.2
59.04980	4.3
65.03930	6.4
67.05147	5.0
67.05501	100.0
69.03401	4.5
69.07064	27.6
70.85635	7.0
71.04990	17.4
71.48907	2.5
77.03922	3.1
79.05489	77.4
79.73695	2.1
81.03415	24.4
81.07047	95.9
83.04974	7.2
83.08611	21.0
85.06534	10.0
91.05468	49.5
93.07038	66.9
95.04956	18.1
95.08598	62.0
95.09200	3.5
97.06516	11.9
97.10159	16.6
103.05464	3.1
105.07028	53.1
107.04942	3.1
107.07841	2.7
107.08583	48.4
109.06519	6.3
109.10142	30.5
111.08088	7.2
115.05386	3.2
117.07009	17.9
119.08578	41.4
121.06493	3.3
121.10132	37.4
123.08047	6.7
123.11684	14.5
125.09624	17.3
128.06256	2.6
129.07024	12.9
131.08563	34.3
133.10117	32.0
135.08009	4.2
135.11668	21.9
137.09587	3.3
137.13254	4.7
139.11172	4.7
142.07831	2.9
143.08568	13.8
145.06479	3.0
145.10083	26.8
147.07986	3.5
147.11678	25.4
149.09601	7.9
149.13235	10.1
151.11256	3.0
155.08530	5.2
157.10109	18.6
159.11678	15.9
161.09642	4.0
161.13177	11.9
163.14734	2.6
165.12691	4.4
169.10063	7.5
171.11609	13.5
173.11887	3.7
173.13261	14.9
175.14844	7.3
176.10219	2.4
177.12750	2.9
181.10120	6.3
183.11673	6.9
185.13269	9.4
187.14859	6.9
189.11234	11.5
193.12212	6.3
195.11732	3.1
195.13832	3.6
197.13261	7.2
199.14771	6.8
213.16481	3.7
223.14746	3.0
227.12779	15.3
229.14276	4.7
239.16269	3.5
241.17732	3.1
241.98079	2.8
243.20992	3.1
259.20654	2.6
261.22092	8.1
267.15887	23.4
271.20334	2.6
285.22299	5.0
287.23566	4.5
289.21576	5.4
299.23724	2.9
301.25226	12.8
303.23001	3.7
315.23172	3.5
323.23901	3.2
325.24200	3.7
327.23108	3.8
333.24271	5.1
335.26001	17.6
359.14777	2.2
359.25839	3.3
361.27304	2.7
363.25348	4.5
373.27206	3.6
417.31454	7.0
435.27457	4.2
435.32568	17.6
453.33771	16.4
471.34528	9.0
509.36270	5.7
527.37360	59.5
545.38324	55.7
559.39612	10.8
577.40747	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	577.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.9
52.69949	1.5
53.03944	9.3
55.01868	15.3
55.05506	50.8
57.03438	10.7
57.07056	2.2
57.57911	1.5
59.09407	1.4
63.78967	1.4
63.92022	1.6
64.34987	1.4
65.03938	5.4
67.05499	56.9
68.99779	1.5
69.03429	5.5
69.07056	24.4
71.04985	8.8
71.70879	3.0
75.44127	1.6
76.97124	1.6
79.05486	52.6
81.03413	38.5
81.03889	2.2
81.07050	83.4
83.04974	100.0
83.08615	20.1
84.05305	2.7
85.02882	13.4
85.06545	3.7
91.05469	66.3
92.02643	2.0
93.03393	4.3
93.07036	50.2
93.07603	3.1
95.04961	39.5
95.08598	34.1
97.02901	2.8
97.06522	21.1
97.10176	9.5
99.08077	1.7
100.47300	1.6
101.06047	1.9
103.05470	3.2
105.07024	48.0
107.04948	21.0
107.08589	31.7
109.06516	15.0
109.10162	18.0
111.04433	30.6
111.08081	10.3
113.06010	2.6
115.05463	3.2
117.07006	14.1
119.04938	18.7
119.08566	35.2
121.02879	4.6
121.06486	8.8
121.10120	19.7
123.04424	28.9
123.08048	7.9
123.11722	7.7
125.09643	7.9
127.07568	1.9
128.06223	3.5
129.06996	13.5
130.79678	1.4
131.04939	2.7
131.08562	24.5
133.06491	3.8
133.10121	25.9
135.08052	7.1
135.11685	6.4
137.02328	10.6
137.06006	1.6
137.09604	6.3
139.11113	2.1
141.07002	2.8
142.07780	3.5
143.08588	5.8
145.06511	3.3
145.10095	17.3
147.04384	14.0
147.08040	5.4
147.11679	24.5
149.09605	16.9
149.13278	6.9
151.11198	6.4
153.01810	16.5
155.08542	4.0
157.10097	12.3
159.08063	1.7
159.11684	13.6
160.28084	1.6
161.09619	2.6
161.13274	5.2
163.03798	1.7
163.11194	8.8
165.01830	3.7
165.05447	15.6
165.09151	2.2
165.12743	6.9
169.10170	2.7
171.11711	4.5
173.09711	2.2
173.11768	2.2
173.13255	5.7
175.11147	9.4
177.12775	3.7
183.11707	4.4
185.13307	2.7
187.07501	2.4
189.05498	1.9
189.11217	4.7
193.04897	1.8
193.12245	30.2
195.13727	2.6
201.05457	2.4
201.69391	1.8
203.03452	2.8
211.13252	33.7
213.09073	3.0
215.17886	2.0
217.04916	8.5
227.12755	5.8
228.03996	1.9
229.04886	7.9
239.18042	3.2
245.04401	9.7
247.05785	1.9
247.20691	3.6
257.04395	2.9
257.18924	7.6
259.20734	1.9
267.15897	14.7
269.17499	3.1
273.03909	8.0
273.18311	3.5
274.04688	4.0
275.20038	58.4
283.02429	2.0
285.03891	3.6
285.16937	16.6
286.04608	1.7
287.05481	3.4
291.19482	8.0
293.21094	6.5
301.03391	22.6
302.04126	24.0
303.04953	43.9
304.05228	3.0
313.03397	3.9
314.04257	4.9
315.04965	20.9
327.05087	4.0
328.01810	2.6
329.02917	6.3
331.22818	2.1
349.23721	24.5
352.05389	2.4
353.06305	4.2
354.03873	2.4
367.07956	4.7
367.24652	2.3
370.47128	1.7
371.07635	6.6
394.06760	10.0
395.07605	13.9
413.08231	2.0
421.09216	12.0
449.08475	2.2
449.30594	2.0
467.09637	14.5
467.31720	2.2
474.04196	1.7
479.09845	14.0
479.29907	1.9
480.10086	2.5
484.15201	1.7
485.32529	1.9
489.11594	2.7
493.07605	7.2
517.11359	6.7
519.09113	4.9
523.34033	2.5
531.12610	5.3
535.12317	17.2
536.12653	2.9
541.35291	12.2
559.12292	30.8
559.36011	22.2
560.12482	6.8
577.13513	21.5
577.37549	20.1
578.13440	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	577.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.9
53.03937	0.3
55.01852	0.6
55.05498	0.9
57.07068	0.3
60.59037	0.3
65.03925	0.9
67.05502	1.3
68.99792	0.6
69.07059	1.0
71.04970	0.4
79.05479	0.9
81.03394	0.3
81.07067	1.3
83.04977	1.4
83.08582	0.8
85.02910	0.3
91.05443	0.4
93.03374	0.4
93.07038	0.6
95.04961	0.5
95.08590	1.1
97.02859	0.3
97.10140	0.5
98.21492	0.5
99.04412	0.3
105.06997	0.5
107.04904	0.3
107.08579	0.6
109.10140	0.4
111.00773	1.0
111.04447	1.6
119.08588	0.7
121.02863	1.6
121.10103	0.5
123.04423	2.1
127.03893	0.7
129.56432	0.3
131.04897	0.3
133.02829	0.4
133.10120	0.5
135.04399	0.5
135.11696	0.3
137.74417	0.3
139.03885	100.0
140.04240	0.5
147.04373	0.8
147.11760	0.4
149.05923	0.3
151.03886	6.4
153.05443	0.3
162.94560	0.3
163.03902	6.1
165.12646	0.3
169.04994	0.4
177.05473	0.4
179.07024	0.7
179.14233	0.2
181.04951	0.7
205.04924	2.0
217.19522	0.9
229.04921	0.3
229.90985	0.3
233.20105	0.3
235.20609	1.4
253.21603	2.1
257.04477	0.5
271.05917	0.5
271.22745	0.8
289.07043	12.0
290.07446	0.3
303.04968	1.3
307.08090	0.8
427.76450	0.3
541.41418	0.3
577.38232	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	577.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.1
53.84051	0.2
55.01868	0.3
55.05500	0.3
65.03927	1.4
67.05490	0.3
68.99783	1.5
69.07049	0.4
69.22435	0.2
71.04961	0.3
71.21086	0.5
79.05477	0.9
81.07039	1.2
82.62754	0.2
83.04975	1.0
83.55634	0.2
91.05465	0.3
93.03407	0.5
93.07027	1.8
95.04967	0.6
95.08600	0.7
97.06515	1.1
97.82369	0.2
99.04456	0.4
105.07022	1.2
107.04935	0.5
107.08580	0.8
109.06500	0.9
109.10182	0.2
111.00790	2.0
111.04432	1.8
111.08088	0.5
117.03342	0.2
119.08554	0.9
121.02844	1.6
121.06490	2.6
121.10112	0.4
122.66135	0.2
123.04412	1.7
125.05946	0.7
127.03912	1.1
127.07510	0.5
131.08566	0.2
133.02837	0.3
133.06407	0.2
133.10086	0.6
135.04407	1.1
135.08015	0.6
139.03883	100.0
140.04218	0.9
141.05435	0.2
143.07036	0.7
143.08546	0.3
145.02806	0.2
147.08054	0.2
147.11690	1.6
149.05951	0.8
151.03889	4.2
153.05461	0.8
157.08627	0.4
157.10069	0.5
159.04366	0.5
161.05998	0.5
161.13199	0.4
163.03885	11.2
165.12718	0.4
169.06500	0.3
169.12225	0.3
171.11676	0.6
175.11163	0.9
177.05447	0.8
178.22867	0.2
179.07021	1.7
181.04956	0.4
182.35904	0.2
189.11195	0.2
189.12674	1.0
193.12210	0.9
199.11168	1.0
201.05482	0.3
205.04935	4.6
207.13780	1.0
211.13268	1.4
217.12224	4.5
229.04941	0.5
229.14412	0.5
235.13258	6.5
243.06525	0.3
247.06001	0.6
253.14325	5.4
257.04480	0.7
261.04190	0.2
261.07556	0.4
271.06036	0.7
271.15381	0.7
289.07025	24.9
290.07458	0.3
307.08432	0.5
332.72815	0.2
343.89081	0.2
385.87402	0.2
391.17517	0.2
400.47406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.05502	49.3
55.76358	3.4
57.07072	71.5
58.99250	3.2
63.30769	2.9
67.05497	54.8
69.07062	70.9
71.04987	9.3
71.08628	62.6
71.73396	4.8
79.05479	13.2
81.07051	100.0
82.07366	6.4
83.08614	51.1
84.08958	3.2
84.34751	3.3
84.98582	3.1
85.06532	4.3
85.10168	24.7
86.71336	3.2
87.04403	2.7
91.05446	6.0
93.07030	7.6
95.08600	92.9
97.10148	32.6
99.11749	3.9
106.19018	3.3
109.10145	54.0
111.11713	24.3
123.11695	27.4
125.13279	5.9
133.10118	5.7
137.13210	9.2
150.28154	3.2
151.14774	4.7
165.16409	4.3
234.66028	3.3
302.20154	4.4
314.27588	6.2
402.98938	3.5
481.38492	5.3
482.39224	34.7
540.43378	15.2
557.60217	7.8
575.49414	6.1
575.60504	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90528	0.4
52.10508	0.4
53.03933	0.8
55.01864	1.3
55.05508	2.5
57.03422	0.9
65.03941	0.8
67.05495	5.5
69.07066	2.2
70.15974	1.7
71.05000	0.7
79.05477	4.4
81.03412	1.7
81.07044	8.3
83.01330	7.4
83.04969	1.5
83.08618	0.9
85.02893	0.9
85.06560	0.4
91.05466	6.6
93.07047	3.7
95.04954	2.5
95.08597	2.5
97.06519	2.3
97.10168	0.8
99.08078	0.6
103.05460	0.6
105.03365	3.1
105.07029	3.1
107.04944	1.0
107.08581	2.3
109.03487	0.4
109.06509	2.2
109.10159	1.6
111.04430	0.8
111.08067	0.8
115.05468	0.8
117.07028	1.8
119.08544	2.0
121.06514	1.0
121.10152	1.6
123.08031	0.7
123.11738	0.5
125.05993	1.5
127.07561	2.9
129.07022	0.9
131.04927	0.7
131.08571	1.4
133.10121	2.3
135.08070	0.9
135.11707	0.8
137.06010	0.5
137.09589	0.4
139.03935	0.4
145.06522	0.5
145.10097	1.0
147.11696	1.1
149.02335	2.6
149.05951	1.9
149.09619	0.8
149.13269	0.4
149.19501	0.4
151.07547	1.4
151.11134	0.6
152.04678	0.6
153.05515	0.7
159.08098	0.4
159.11685	1.1
167.03378	0.4
167.07076	0.8
167.08498	0.7
169.08627	0.8
169.66197	0.4
177.05478	1.3
177.48941	0.3
178.06229	0.4
179.03456	0.4
179.07065	1.7
181.04959	1.2
191.06985	1.6
191.08530	0.9
193.04994	2.0
193.12357	0.8
195.06514	7.1
195.08168	0.5
202.07848	1.0
203.08638	1.6
204.09381	0.8
211.13274	1.1
213.07492	2.1
215.08521	4.7
216.09256	0.5
217.10139	0.7
227.12715	0.6
228.09398	1.1
229.10184	0.9
231.08044	0.8
233.09740	0.5
241.10066	0.7
242.10779	0.4
252.09338	0.6
255.08098	1.0
257.09656	0.9
267.16101	0.5
269.17441	0.7
271.11011	0.6
275.20053	1.4
283.11176	0.5
291.10364	0.5
291.19601	1.5
294.08707	0.5
295.14774	0.4
297.12628	0.7
299.14203	0.5
305.11856	1.8
311.10672	1.1
313.12036	0.6
321.12717	0.8
322.13361	0.6
325.12363	0.7
333.11267	0.6
337.16138	0.5
339.10065	0.6
339.13843	1.0
349.12134	1.2
353.11526	0.6
355.16895	0.9
357.11301	0.5
363.13907	0.7
365.11447	0.9
365.15555	0.8
365.23376	0.5
366.12466	0.9
367.13300	3.2
368.14075	5.9
381.14764	1.8
382.15784	0.7
383.16501	1.6
391.13324	0.5
393.11237	0.8
394.12079	0.9
395.12744	8.4
396.13379	1.2
407.12839	1.4
408.13495	1.5
409.14246	3.3
410.15128	9.9
411.15921	0.5
418.12463	0.4
419.12775	1.6
420.13565	0.4
423.15982	1.8
435.12308	1.2
436.12662	0.9
445.13342	0.5
446.14825	0.7
447.15359	0.5
451.15509	0.7
457.15836	0.6
461.17300	1.8
463.15289	0.5
469.12778	0.7
471.18527	0.5
473.13870	0.5
474.14627	1.5
477.12833	0.5
489.17358	0.7
491.14709	0.7
492.15393	0.5
501.17239	0.6
507.17795	1.1
529.15967	0.8
547.17419	0.9
559.21033	2.9
559.36371	1.7
562.19971	0.5
577.22162	100.0
578.22241	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	575.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.01870	13.8
55.05508	45.8
56.36544	1.5
57.03438	13.9
57.07052	3.2
59.04977	1.5
65.03924	3.6
67.05501	74.7
69.03428	15.4
69.06689	2.6
69.07065	44.6
71.04977	8.7
71.08572	1.8
77.03922	1.4
79.05490	62.8
81.03411	50.5
81.07053	71.2
83.04975	17.6
83.08614	28.2
85.02905	20.5
85.06528	6.0
85.79451	1.5
91.05475	63.2
91.06050	3.1
93.07037	55.3
95.01303	2.9
95.04399	2.8
95.04962	31.7
95.08600	32.5
97.02885	12.2
97.06528	16.6
97.10166	24.8
98.20644	3.2
99.04442	2.0
99.08007	1.6
103.05482	3.4
105.04559	2.5
105.07027	50.4
107.04947	22.1
107.08591	31.0
109.06507	11.9
109.10150	17.7
111.04437	4.9
111.08085	8.0
113.05984	2.1
115.05467	3.6
117.07022	18.0
119.04930	2.6
119.08576	37.7
119.09420	2.4
121.06498	8.2
121.10137	20.0
123.08068	12.4
123.11701	6.3
125.09609	18.6
128.06204	3.2
128.56586	1.4
129.07002	16.2
130.07736	2.2
131.04903	2.7
131.08568	26.9
133.06487	9.0
133.10132	21.1
135.08043	8.7
135.11676	4.9
137.09608	7.6
139.11183	1.6
141.06981	3.8
142.07784	4.3
143.08543	7.3
145.06462	4.9
145.10114	17.4
147.04402	1.7
147.08069	11.1
147.11681	21.0
149.09619	11.2
149.13234	4.2
151.11180	2.8
153.09135	4.2
155.08568	4.2
157.10101	13.8
159.08051	3.9
159.11719	7.2
161.09641	7.4
161.13251	2.9
163.11244	7.5
165.09090	3.0
165.12756	5.8
169.10191	2.7
171.10286	2.4
171.11708	4.6
173.09612	3.7
173.13290	3.8
175.11182	12.3
177.12741	3.7
183.11731	2.5
185.09644	1.6
185.13185	2.6
187.11214	3.2
189.09612	2.2
189.11223	11.2
189.12639	2.5
191.10750	2.5
193.12239	34.1
195.13803	2.0
201.12772	1.8
205.12236	3.5
209.11697	2.8
211.13295	34.8
219.11906	2.1
219.13788	8.4
223.13248	18.3
227.12733	11.9
227.17909	2.0
231.13831	1.6
249.14873	4.5
255.17535	2.4
257.18979	1.7
263.20206	1.7
267.15900	15.6
273.18469	30.4
275.20068	18.7
283.15475	3.1
285.16858	4.3
291.19519	100.0
292.19955	2.8
313.21594	5.3
315.19589	2.8
347.22211	5.5
349.23615	1.7
365.23331	6.8
389.23654	1.8
445.25937	1.9
447.28769	1.6
465.30038	2.8
477.28604	2.1
483.31000	4.9
539.33545	4.6
557.34796	28.0
558.34363	1.7
575.35699	83.0
576.35962	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	575.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.1
53.03714	1.7
53.03934	12.9
53.06644	1.8
54.94660	2.2
55.01862	15.5
55.05246	2.6
55.05508	43.5
57.03434	15.9
57.07063	4.5
65.03933	5.4
66.12798	1.6
67.05501	100.0
69.03418	8.2
69.07060	27.8
70.36113	6.0
71.01339	2.7
71.04995	14.4
72.66260	1.7
77.03917	2.5
79.05486	76.1
80.23702	1.8
81.03414	46.2
81.07051	97.1
83.04977	20.8
83.08611	25.5
85.02905	14.3
85.06536	6.8
91.05476	88.2
93.07036	64.9
95.04957	38.4
95.08603	52.9
97.02872	6.9
97.06519	14.6
97.10162	16.5
99.08082	6.9
101.77583	2.0
103.05451	3.1
104.15109	1.9
105.07024	68.0
107.04959	17.4
107.08585	36.5
109.02902	2.5
109.06509	14.0
109.10159	27.0
111.04435	4.1
111.08056	13.0
112.62888	1.9
113.05995	2.6
115.05428	5.8
116.06225	2.7
117.07017	22.4
118.46567	2.9
119.04942	3.1
119.08578	40.7
121.06512	15.0
121.10137	23.1
123.08040	11.0
123.11704	10.3
125.09626	11.9
127.07489	1.9
128.06229	5.6
129.06999	18.3
131.04907	2.8
131.08556	40.5
133.06509	11.2
133.10120	49.2
135.07979	13.3
135.11674	10.9
137.09592	4.9
139.11182	3.0
141.06999	5.3
142.07759	6.2
143.08546	17.2
145.06493	3.2
145.10106	18.9
147.08055	7.1
147.11688	20.6
149.09589	15.1
151.11194	14.2
155.08533	10.0
157.10138	22.6
159.08035	5.7
159.11700	19.9
161.08401	1.9
161.09583	11.1
161.13295	4.3
163.11179	6.2
165.12762	6.6
167.08530	3.9
169.10118	6.4
169.12253	3.6
171.11682	13.2
173.09639	7.0
173.13263	7.4
175.11214	12.7
177.09114	3.3
177.12759	4.2
179.10689	3.5
181.10208	3.0
182.14430	2.1
183.11636	6.2
185.09569	2.5
185.13237	7.1
187.11166	4.5
187.14832	3.4
189.11237	7.1
189.12746	2.8
193.10519	3.2
193.12222	27.2
195.11737	5.1
197.13266	3.7
199.11221	3.4
199.14790	3.4
201.12701	2.6
201.16385	2.7
201.23825	2.3
202.65674	1.9
209.13177	5.7
211.13258	26.5
211.14980	3.1
217.15900	2.1
223.13264	3.7
227.12691	9.4
237.16508	2.2
245.19116	6.5
253.14288	14.1
255.17453	3.5
263.19934	3.2
267.15875	16.2
273.18454	28.8
275.20068	7.8
285.16919	7.3
285.22046	2.4
287.20190	3.1
291.19528	41.0
299.23709	5.9
309.20520	3.6
347.22232	10.2
365.23236	8.4
421.25449	4.3
433.30878	8.7
451.31818	5.4
463.26590	4.2
489.33734	2.9
517.35126	8.4
525.35760	19.5
539.33411	3.5
543.36707	22.2
557.35217	14.7
575.35419	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.40086	1.4
55.05513	9.4
57.03423	4.5
57.07071	26.3
62.19132	1.4
67.05498	36.5
69.07070	8.2
71.04683	1.5
71.04991	15.9
71.08625	18.1
71.59333	2.0
79.05495	6.6
81.07048	59.1
83.08627	9.4
85.06532	5.7
85.10180	7.4
87.04460	4.4
91.05472	11.5
93.07029	8.0
95.08599	15.9
97.06515	2.7
97.10178	2.7
105.07020	5.2
107.08565	6.2
109.10162	9.5
119.11232	1.6
121.10105	2.3
123.11702	11.0
131.08578	2.6
133.10114	9.8
135.11664	1.7
149.13252	3.2
149.38217	1.4
151.11191	3.9
157.66336	1.3
159.11713	2.0
169.12146	1.4
177.12709	1.9
183.13817	3.0
187.13348	2.7
204.67747	1.5
239.23709	2.3
257.17441	1.7
259.11545	1.3
264.92264	1.3
269.17459	3.4
292.44998	1.5
301.20038	17.2
313.27292	22.9
481.38864	100.0
495.40326	4.1
507.40192	4.0
510.60822	1.7
539.34985	2.8
539.43018	41.2
574.49194	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	573.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	40.3
70.23534	7.4
70.23933	9.1
72.34885	3.4
74.37256	3.5
84.96029	24.1
87.91840	4.2
98.21424	4.4
98.97570	98.1
102.97020	4.1
110.97562	21.7
116.98611	76.4
124.99147	5.9
128.98607	43.9
134.99643	34.8
140.98570	12.4
141.66481	3.9
143.00136	48.6
144.98061	5.4
146.99634	39.8
152.98564	7.3
153.00656	6.0
158.99655	41.8
161.01212	82.8
162.99181	6.4
170.99638	38.8
177.00687	42.4
179.02243	13.2
182.99585	14.1
185.01259	8.3
186.99139	14.2
189.00700	58.4
193.00160	5.7
195.01736	8.4
200.98843	6.6
201.00688	78.5
203.02293	14.8
205.00186	33.3
207.01784	8.0
212.02260	4.9
213.00723	5.4
219.01747	94.9
223.01164	23.0
224.02261	4.6
228.01555	4.7
230.98375	4.4
231.01755	10.4
237.02785	40.9
242.03357	4.8
243.01738	25.4
248.99113	10.7
255.01270	4.2
261.02792	100.0
267.00269	22.8
273.02747	5.0
279.03885	54.5
287.04306	4.6
289.02194	5.4
291.00208	25.9
291.03897	15.7
307.03391	5.7
309.01254	17.2
309.04672	5.8
321.01239	12.0
321.04919	56.6
331.03372	7.5
332.03009	4.6
333.04785	12.1
349.04504	6.7
351.06021	14.4
375.02286	20.4
381.07028	17.4
393.03400	37.0
399.08105	14.4
411.04520	30.1
469.08612	13.0
493.08505	5.2
537.08044	22.0
555.08612	51.6
573.09741	73.6
575.93622	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	571.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56289	0.3
70.66493	0.3
71.05628	0.7
71.05984	0.4
84.08105	0.4
114.03376	0.3
135.02744	0.3
139.03876	0.7
144.81651	0.3
153.01733	1.0
163.03902	0.6
163.93364	0.3
164.79663	0.3
170.35966	0.3
199.08568	0.8
201.10106	0.6
211.08725	1.5
211.12196	0.5
212.09416	0.6
213.10260	1.5
215.11838	0.5
217.09657	0.8
223.12210	0.4
225.10159	1.8
226.10800	0.4
227.08057	0.8
229.09689	1.3
231.11121	0.4
239.08124	3.1
239.11658	2.2
240.08954	2.0
241.09680	3.0
241.13403	0.5
242.10451	0.4
243.07607	0.8
243.11272	3.9
252.08722	0.6
253.09683	5.1
254.10481	0.4
255.11211	0.3
257.09174	1.7
257.12787	1.1
258.09946	0.8
259.10745	2.1
267.07764	1.7
267.11230	3.6
268.08405	5.3
269.09152	0.9
269.12805	0.8
271.10739	19.9
272.11182	0.5
273.12250	1.3
275.10297	1.4
277.11862	2.0
281.09149	1.1
282.10114	0.4
285.08655	1.6
285.12283	4.3
289.11887	1.8
295.10791	3.3
299.10300	0.4
299.13623	0.5
300.10992	0.9
303.09738	0.6
303.13351	0.9
313.11786	6.0
314.12381	0.3
317.11258	1.4
323.10254	5.2
327.13272	1.0
331.12848	0.9
335.12408	2.3
341.11282	10.8
345.14438	1.6
347.16241	0.4
349.13895	1.5
355.12796	3.0
359.12262	2.6
363.15457	0.6
373.13922	16.5
391.14954	21.0
392.15125	0.6
406.72961	0.3
409.16022	100.0
410.16425	1.9
424.68173	0.4
455.32339	0.3
491.14401	0.4
553.20197	0.7
571.21277	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.1
55.05504	19.4
57.07066	7.1
65.03951	7.1
66.08413	3.6
67.05499	84.8
69.07070	19.6
71.08614	6.1
71.73178	4.4
77.03925	4.5
79.05484	66.7
81.03382	4.8
81.06566	4.1
81.07050	69.6
83.08610	11.9
84.82636	3.3
91.05470	73.2
93.07029	65.5
95.04959	11.1
95.08595	60.2
97.06536	6.3
97.10167	6.1
105.04528	4.4
105.07024	42.0
107.08582	33.9
109.06514	4.0
109.10145	23.4
117.07016	15.4
119.08553	30.1
121.10136	46.9
129.06998	11.7
131.08549	30.7
133.10103	22.1
135.11661	16.4
143.08553	12.3
145.10136	22.3
147.11667	12.3
155.08618	4.5
157.10106	10.6
159.11696	11.9
161.13271	6.6
167.08371	4.9
171.11658	8.7
173.13176	5.5
183.94559	3.6
185.13213	4.7
185.18402	3.8
187.14812	4.5
189.16348	7.4
199.14764	8.1
206.17422	3.8
209.13289	3.9
210.40773	3.9
217.15871	7.4
235.16953	7.2
251.18808	4.4
261.22000	6.8
298.01389	4.1
337.52908	3.8
412.12863	4.6
428.21255	4.1
461.26996	4.1
477.36813	5.4
495.37848	4.3
508.42871	4.8
541.44086	4.7
569.41943	100.0
569.55664	6.4
570.41351	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	570.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
57.07067	6.1
58.06580	2.0
64.79993	0.6
67.05495	0.5
69.39406	1.3
69.39803	6.1
70.06586	18.3
71.08620	2.5
74.81947	0.7
79.05473	0.9
81.03391	0.8
81.07049	1.7
81.43668	0.6
83.01329	1.3
83.04956	0.7
85.10158	0.7
88.07621	22.3
91.05466	1.3
95.04964	0.6
95.08620	0.7
98.21414	1.4
102.09172	18.4
103.05461	2.2
105.03382	17.4
111.04364	0.7
127.07533	1.6
128.07863	0.9
129.09157	0.5
131.04910	5.5
132.05280	1.1
146.75768	0.5
147.04378	0.8
149.02338	11.5
149.05968	67.4
150.06296	0.9
152.04753	0.7
167.03389	8.2
168.03789	2.7
175.03944	1.0
177.05299	0.5
181.06499	1.9
191.08597	0.6
193.04965	10.9
195.06526	7.2
196.06911	2.1
212.23830	0.7
213.07518	3.1
214.07961	1.4
219.06409	0.9
219.08330	0.7
243.19041	0.6
256.26343	57.3
271.09653	3.3
272.10007	2.4
297.07574	14.7
297.10840	1.0
299.12830	4.4
300.12997	4.4
341.10178	59.1
342.10760	0.8
570.34235	100.0
571.34637	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61525	0.4
53.03930	0.6
55.01867	0.6
55.05492	1.6
58.35458	0.4
66.35147	0.4
67.05499	2.3
68.99773	1.2
69.63621	1.7
69.64048	1.9
72.70081	0.4
79.05476	2.4
81.03401	1.2
81.07047	6.8
83.01339	5.7
83.04963	1.3
85.06474	0.4
91.05469	8.6
93.07042	2.2
95.04961	1.5
95.08590	0.8
97.06517	1.2
97.10140	0.6
98.21454	0.9
103.05464	3.6
105.03355	0.7
105.07045	0.7
107.08578	0.9
108.25917	0.5
109.06516	2.7
109.10163	0.9
111.04440	1.1
115.05458	3.0
117.07033	0.5
119.08562	0.9
121.06491	0.5
123.04448	0.5
123.08052	0.4
124.01560	1.7
125.05979	2.1
127.07536	5.3
129.07002	0.8
131.04919	12.8
133.10049	0.5
149.05948	1.9
151.07542	0.5
152.00987	1.3
152.04652	1.8
153.05457	1.5
153.23082	0.5
160.32074	0.5
167.03384	100.0
168.03738	0.8
169.08556	2.0
169.09932	0.6
170.02097	3.6
171.04420	0.5
177.05469	1.6
189.07057	0.5
191.08517	3.9
193.10149	3.4
195.06514	29.9
196.06816	0.6
213.07574	12.4
218.07306	0.8
219.08041	16.6
220.08333	0.6
228.70880	0.5
229.08629	2.0
235.11118	1.1
261.09085	2.0
269.08017	1.2
271.09595	19.1
278.96814	0.5
299.12759	20.2
325.10687	1.4
333.14890	0.5
368.05206	0.5
387.10828	0.5
387.15897	11.9
401.13553	1.4
411.15967	1.1
429.16971	12.6
551.20746	1.0
569.21716	2.1
569.38721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.05496	3.1
57.03409	1.9
67.05505	11.4
68.05819	1.6
69.03417	3.0
69.07061	2.0
70.74841	1.1
71.04989	3.6
71.71429	2.6
76.61602	1.3
79.05475	5.3
81.03397	5.5
81.06612	2.2
81.07052	24.5
83.01334	17.2
83.04957	4.5
83.08593	1.3
91.05481	11.4
93.07027	4.6
95.04977	1.6
95.08578	2.8
97.06515	4.0
99.04448	25.4
103.05454	1.8
105.07007	11.7
107.08585	1.9
109.06503	6.7
109.10138	4.1
111.04376	2.2
115.05391	1.6
117.07008	1.8
121.06521	2.0
123.08057	1.3
125.05960	8.1
127.07545	13.9
129.06932	1.7
131.04936	15.3
131.08617	1.4
133.10092	2.2
133.92580	1.3
149.05962	5.1
152.04706	3.2
153.05443	5.9
154.95964	1.5
167.07062	2.8
169.08598	4.2
177.05457	5.6
185.04433	14.5
190.11613	1.5
191.08469	3.2
193.10043	2.5
195.06516	95.3
198.27319	1.3
208.84412	1.2
213.07567	39.5
218.12920	1.3
219.08003	4.4
257.11783	1.6
265.66144	1.4
267.63217	1.4
271.09634	17.9
299.12756	100.0
359.52414	1.4
387.15872	21.3
421.06406	1.5
483.91739	1.5
516.17560	1.9
568.22723	1.4
569.21436	4.1
569.31799	10.1
580.81799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39537	0.4
53.03948	0.7
55.01864	0.4
55.05501	1.2
64.99701	0.5
67.05493	1.3
67.41597	0.4
69.03394	0.8
69.52538	4.4
79.05479	1.7
81.03417	1.1
81.07055	7.3
83.01334	8.3
83.04972	2.8
84.02691	0.4
88.80317	0.4
91.05470	6.9
93.07042	0.8
95.04882	0.4
95.08547	0.4
97.02872	0.7
97.06528	0.9
100.71275	0.5
103.05456	6.1
105.03359	0.8
105.07030	1.0
107.04950	0.8
109.06528	2.3
109.10857	0.5
111.04436	1.3
115.05453	3.6
117.07030	0.5
121.06481	0.6
125.05990	2.2
127.07541	5.9
129.46504	0.4
131.04912	18.1
131.05896	1.0
139.03822	0.7
140.47000	0.4
141.05446	0.5
149.02467	0.6
149.05986	1.8
151.07484	1.1
152.04654	2.0
153.05446	2.6
157.06494	0.7
159.35938	0.5
162.60489	0.4
167.03387	100.0
169.08600	3.3
177.05423	2.6
178.07747	0.6
185.04436	3.5
191.06992	0.8
191.08524	5.1
193.10133	4.2
195.06514	39.0
202.07826	0.5
213.07559	14.4
217.10173	0.6
219.05896	0.9
219.08035	17.3
229.08589	3.0
233.09573	0.5
235.11140	1.1
261.09119	1.7
269.07935	3.3
271.09622	16.1
281.11566	0.7
299.12756	30.1
301.14258	1.3
303.09897	0.6
325.10693	1.0
345.53406	0.5
359.12823	1.0
373.14230	0.8
383.16498	0.5
385.45975	0.6
387.15863	8.8
401.13727	2.2
411.15704	1.0
429.16959	12.3
551.20667	1.3
569.21802	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	568.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36588	1.2
53.03929	3.9
55.05504	9.9
57.07071	6.8
57.96091	1.1
65.03921	2.2
67.05492	15.0
69.03402	2.4
69.07066	12.4
70.91892	3.4
70.92245	1.2
74.14479	1.3
77.03926	1.5
78.14112	1.1
79.05486	21.7
80.06254	3.0
81.07044	32.3
83.04957	2.7
83.08601	5.0
85.06526	2.7
91.05466	39.4
92.06249	2.1
93.07031	43.0
94.07805	3.3
95.04964	37.0
95.08587	23.2
97.06509	2.3
98.64240	1.1
103.05453	3.1
105.07017	75.4
106.07766	3.9
107.08580	42.7
108.09399	2.2
109.06485	5.0
109.10145	18.3
110.07253	1.2
111.08026	1.5
115.05441	4.3
116.06242	1.4
117.06997	22.9
118.07790	3.3
119.08563	100.0
120.09368	8.9
121.06493	2.6
121.10126	32.3
121.11459	1.7
123.08059	13.9
123.11705	8.5
125.09629	2.5
128.06201	10.7
129.06992	14.9
130.07788	8.0
131.08553	47.6
132.09377	9.8
133.10115	53.8
134.10966	6.5
135.08052	6.1
135.11676	15.4
137.09575	6.6
138.10388	7.7
139.11206	1.4
141.06981	6.0
142.07758	16.9
143.08542	39.6
144.09332	16.0
145.10107	81.7
146.10825	5.0
147.07996	1.8
147.11668	23.2
148.12430	2.0
149.09581	4.0
149.13316	2.7
151.11189	3.4
153.07001	3.1
154.07735	2.4
155.08531	15.6
156.09329	16.5
157.10117	47.5
157.11415	2.3
158.10909	10.3
159.11665	39.6
160.12468	2.5
161.09590	3.9
161.13260	7.2
163.11165	2.9
165.07013	3.3
166.07748	3.2
167.08539	6.9
168.09358	5.9
169.10100	23.1
170.10912	9.1
171.11667	32.7
172.12459	7.1
173.09570	1.3
173.13252	27.4
174.14029	3.3
175.11168	1.5
175.14796	21.3
177.12714	6.8
179.08484	8.2
180.09264	4.1
181.10114	14.8
182.10905	8.3
183.11670	25.9
184.12413	5.4
185.13234	23.9
186.14017	7.1
187.14783	17.4
189.12747	3.8
191.14293	11.9
192.09323	2.0
192.15031	3.1
193.10127	9.3
193.15875	1.4
194.10857	8.4
195.11649	18.9
196.12419	6.4
197.13228	26.7
198.14027	6.4
199.11176	1.3
199.14787	13.5
200.15562	1.3
201.12724	3.3
201.16367	8.9
203.14326	2.4
205.15826	1.9
206.10834	3.1
207.11668	8.1
208.12469	4.8
209.13225	23.2
210.13942	4.7
211.14796	17.3
212.15617	2.5
213.16331	3.9
217.15860	5.6
219.11649	3.5
219.17471	3.1
220.12424	3.8
221.13184	8.9
222.13950	3.5
223.14813	12.9
224.15565	3.9
225.16356	7.9
226.17212	1.8
227.17889	3.0
229.15906	2.2
231.17456	1.5
232.12343	1.8
233.13168	3.1
235.14796	5.8
236.15675	2.0
237.16318	8.6
238.17108	2.0
239.17996	6.3
240.18698	1.2
241.15817	1.7
241.19492	4.3
243.17381	1.7
245.13034	1.3
246.13612	1.5
247.14723	3.7
248.15700	1.5
249.16342	4.0
251.17949	3.9
253.19525	2.4
255.17294	2.1
257.19073	1.8
259.14771	1.4
259.20569	2.8
261.16360	4.5
263.17929	4.2
265.19482	6.3
267.21188	2.0
269.19034	2.3
270.19910	1.6
271.95306	1.4
272.21191	1.3
273.16391	1.8
275.17911	3.4
277.19522	2.5
279.21149	2.5
281.18991	2.0
283.20566	3.2
283.26230	1.6
284.29449	3.0
285.21872	1.8
289.19611	1.7
291.21066	1.6
297.22067	3.4
298.22922	1.3
305.22510	3.0
311.29514	2.4
323.23679	6.7
336.24490	1.3
337.25223	2.4
338.25986	45.3
349.24988	2.4
351.26703	2.4
362.26260	1.9
415.29916	2.3
420.30078	2.8
430.32260	16.1
431.33209	1.4
451.32260	1.3
458.35294	1.6
476.36404	14.8
501.30258	1.3
550.40918	1.6
568.42755	22.8
568.56342	7.3
594.42010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.05511	0.9
57.03436	4.1
68.05010	1.2
69.45020	5.5
69.45432	1.0
70.06578	0.6
71.04622	1.2
71.04986	18.1
73.02898	0.9
75.04462	1.9
83.04950	2.1
85.02894	28.9
87.04476	0.7
94.06559	2.1
95.04943	1.1
96.04455	0.9
98.18798	0.7
101.91527	0.7
107.04932	0.7
109.06540	1.2
110.06036	3.2
111.04449	0.8
112.07585	2.3
122.06013	1.5
129.05437	4.2
130.05074	0.6
131.05042	0.9
136.07574	5.8
137.02332	0.6
137.05963	0.9
137.08334	1.5
145.61845	0.7
149.00551	0.8
149.93289	0.6
153.00090	0.7
153.01782	3.4
154.08577	0.7
167.06940	0.6
172.09656	1.0
177.65073	0.6
180.06577	3.4
181.23462	0.7
198.53592	0.6
217.04829	0.8
228.04153	1.1
243.00952	1.1
244.03525	0.8
249.02130	2.2
271.00357	1.0
272.03162	7.5
273.03915	1.4
274.04517	1.4
277.01636	2.5
283.02390	1.3
300.02625	100.0
301.03275	5.3
302.04153	10.9
303.04944	0.9
305.00964	3.4
313.01645	2.6
314.99722	1.4
317.01123	6.0
333.00592	73.4
334.01096	1.5
335.02167	31.9
341.01016	1.9
347.02225	8.0
356.50815	0.7
359.02240	15.8
375.01514	1.7
377.03174	1.1
405.02710	11.2
422.05365	45.0
434.04889	0.9
463.09473	0.8
464.06302	2.0
470.09000	3.0
514.08179	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	567.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01857	1.6
55.05297	0.5
55.05516	7.8
57.03428	2.7
57.07062	0.9
59.04993	1.8
65.03938	1.7
67.05501	41.9
69.03427	6.6
69.07062	5.3
70.76237	1.8
71.01348	0.7
71.04997	3.2
72.08070	0.6
79.05484	10.4
81.03411	25.0
81.07052	21.3
83.04979	5.3
83.08612	5.6
85.02917	3.6
85.06541	1.1
91.05475	10.8
93.07040	11.5
95.04974	3.5
95.08596	4.5
97.02869	4.0
97.06548	3.0
97.10162	2.0
99.04456	2.1
99.08132	0.8
100.09231	0.7
105.07005	3.2
107.05000	1.0
107.08585	7.8
109.02878	4.3
109.06529	1.5
109.10149	23.3
111.04440	4.6
111.08073	2.3
117.07020	2.4
119.08579	4.0
121.06501	0.9
121.10138	3.3
122.57677	0.6
123.11714	1.2
125.09608	1.6
127.03941	3.1
129.07005	1.4
131.04845	0.6
131.08583	3.6
133.10112	2.6
135.08043	1.0
135.11682	1.9
137.06013	0.6
137.09645	1.3
139.03914	1.0
139.11159	1.0
143.08548	0.7
145.10086	0.8
147.08060	0.9
147.11684	2.6
149.09587	1.3
149.13237	4.9
151.03838	1.2
155.10669	1.5
155.72348	0.6
159.11673	3.1
163.11363	0.6
165.12646	0.8
167.06956	0.7
173.04503	1.0
173.11720	8.4
177.12726	1.7
183.06535	0.9
184.07396	0.9
189.11206	1.5
195.13802	3.1
207.10262	0.8
213.14839	1.3
227.12843	1.6
229.14369	3.0
233.91948	0.7
251.12711	0.9
267.16086	0.8
269.17563	0.9
275.16385	0.8
283.06369	0.6
283.15170	7.3
299.14908	2.9
321.16696	1.0
329.17334	0.7
339.17816	5.8
355.17343	2.4
386.59665	0.8
393.92322	0.8
395.20688	3.0
423.27530	4.0
488.22916	0.7
549.30432	1.4
553.08484	0.8
567.31433	100.0
568.32086	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	567.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.01855	3.4
55.05495	8.1
55.08595	2.0
57.07059	4.6
58.54849	2.4
65.03920	2.7
67.05500	23.5
69.03429	2.5
69.07053	11.2
70.91610	6.7
79.05484	24.2
81.07052	38.2
83.08611	3.7
87.04445	2.5
88.09001	2.1
91.05470	33.9
91.26777	1.9
93.07033	43.0
95.04955	7.7
95.08591	25.5
97.06522	4.0
97.10191	2.4
103.05441	6.3
105.07014	59.0
107.08578	36.1
109.06493	2.8
109.10147	29.3
117.07022	11.7
119.04970	4.0
119.08562	49.8
121.06507	3.1
121.10131	37.9
123.00792	6.2
123.11697	8.5
128.06221	5.3
129.06989	8.0
130.07759	5.6
131.04897	15.9
131.08565	28.3
133.10110	31.4
135.08022	3.1
135.11674	19.9
137.05951	2.6
137.09633	2.2
141.07016	5.6
142.07762	11.3
143.08522	20.9
144.09306	5.2
145.06412	2.9
145.10101	36.6
147.04402	3.7
147.11682	14.6
149.13348	3.5
151.03867	16.1
155.08554	11.9
156.09325	10.3
157.10112	23.0
158.10837	4.9
159.11668	16.9
161.13211	6.9
163.53116	2.4
165.05421	3.0
165.06966	3.0
167.03397	25.8
167.07201	2.9
167.08543	7.3
169.10094	13.0
170.10863	5.0
171.11679	13.7
173.09430	2.8
173.13246	16.3
175.14809	9.9
179.03369	4.1
179.08551	7.5
180.09332	3.4
181.05020	2.8
181.10152	9.9
183.11653	16.0
185.13206	8.1
187.14819	15.2
192.09416	3.7
193.04945	9.6
193.10115	5.0
194.10782	3.7
195.11650	13.0
197.04453	3.6
197.13309	10.2
199.14877	9.0
201.16278	2.4
205.10139	3.5
206.10893	2.8
207.11707	8.5
209.13249	9.7
211.05992	100.0
211.14816	8.0
212.06314	5.7
219.11690	3.3
221.13249	7.8
222.14005	4.3
223.14848	6.2
223.52237	2.5
225.16502	3.4
227.14136	3.0
233.13290	5.4
235.14854	6.6
237.16316	6.3
239.17944	2.4
245.13312	2.9
246.13921	2.7
247.14699	5.6
249.16277	4.3
251.17831	2.6
253.19476	3.4
259.14590	2.8
261.16422	5.4
267.20819	2.9
271.09647	49.4
272.09943	3.6
283.09662	5.8
285.11099	3.3
297.11203	59.0
298.11777	4.4
298.46719	2.5
427.29950	2.6
476.50699	2.6
499.87601	2.8
513.23175	2.4
531.40863	2.8
549.40570	8.6
567.41425	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	567.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40184	1.3
53.03953	5.9
55.01868	2.6
55.05508	22.2
57.03434	5.7
59.04982	1.9
65.03933	3.3
67.05499	100.0
69.03429	17.1
69.07066	11.7
70.05891	6.5
71.01321	1.5
71.04987	7.9
74.57441	1.2
79.05490	26.7
81.03410	55.1
81.07051	49.2
83.04972	8.9
83.08610	13.1
85.02930	7.4
85.06528	3.4
91.05473	21.8
93.07039	27.1
95.04965	5.7
95.08606	14.1
97.02868	9.3
97.06514	6.3
97.10168	5.9
99.04442	4.5
99.08115	3.4
103.05488	1.6
105.07020	10.1
107.04955	2.8
107.08588	17.3
109.02877	13.0
109.06510	3.2
109.10150	49.3
109.10893	2.6
111.04441	11.5
111.08067	4.9
117.06990	8.1
119.08603	8.1
121.06515	2.2
121.10158	8.0
123.11694	2.3
125.09634	5.9
127.03890	8.7
129.07022	2.4
131.08563	7.2
133.10109	5.9
135.08034	3.0
135.11684	4.8
137.09590	3.0
139.11104	1.2
145.10112	1.5
147.11702	6.1
149.13235	9.4
155.10669	1.7
157.10126	1.9
159.11650	7.1
160.05954	1.3
161.13216	1.9
165.12761	2.8
166.32877	1.3
167.08627	1.2
173.04572	1.8
173.11739	19.4
177.12697	4.2
183.06500	1.5
189.11246	4.3
195.13770	10.6
213.14830	2.9
221.15337	1.2
227.12744	2.6
229.14352	6.2
239.94452	1.4
267.15863	2.7
269.17517	2.4
271.15604	1.3
281.13824	2.2
299.15012	8.5
303.15787	1.1
321.17035	3.1
337.16415	1.1
339.17868	7.4
355.17514	6.6
393.85043	1.3
395.20740	4.5
399.12051	1.4
423.27481	8.0
502.32538	1.5
549.30487	2.5
567.24408	3.1
567.31537	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.05499	0.6
56.87912	0.5
61.21088	0.5
61.22974	0.5
64.73200	0.4
65.03924	0.8
67.01864	5.2
67.05504	4.6
68.07188	0.5
69.03412	1.0
69.07037	0.9
70.15540	2.7
73.07790	0.5
79.05484	4.0
81.03404	1.1
81.07048	22.9
83.01331	1.7
91.05468	5.2
93.07026	1.6
95.04934	2.6
95.08587	4.5
96.87228	0.6
97.06488	0.6
100.69758	0.5
103.05457	18.3
105.03393	6.2
105.07021	2.3
107.04939	0.7
107.08575	1.3
107.35709	0.4
109.06512	3.9
109.10159	1.1
115.05460	2.7
116.17221	0.5
117.07040	0.6
119.04178	0.5
119.04938	2.0
119.08566	0.9
121.06496	0.5
123.08047	6.7
127.07524	0.5
128.06198	0.8
129.07010	1.4
131.04915	52.2
131.08569	1.0
137.05940	3.8
141.06984	1.0
143.08513	1.1
151.07526	31.3
154.06256	0.7
154.07716	0.5
155.08533	1.4
157.02795	1.6
165.01894	0.6
165.05453	2.9
167.07013	0.6
169.08586	100.0
170.08963	0.8
171.11632	0.6
175.03867	2.9
178.07774	1.3
179.08476	0.9
181.06389	0.7
183.06519	39.2
183.11667	1.0
191.08519	1.9
193.10106	4.4
195.06526	1.0
196.08832	0.8
197.09627	1.7
205.10126	1.0
207.04332	0.7
211.11169	1.4
214.09840	4.2
215.10582	4.8
227.10612	1.3
233.09662	1.4
234.10329	1.6
235.05984	0.9
235.11082	4.1
239.10678	3.2
249.09128	0.8
257.09085	1.1
257.11685	14.1
261.09106	1.7
269.11758	2.0
290.51379	0.5
295.09622	18.4
297.11139	1.2
299.12726	3.4
311.10474	0.9
314.01874	0.5
353.15375	0.6
360.47473	0.5
381.14813	6.8
399.15906	23.0
442.72180	0.5
549.22394	2.0
567.32391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77068	1.0
53.02173	1.4
53.03944	1.8
55.05514	2.1
67.01865	11.2
67.05506	6.9
69.03445	1.9
69.07069	2.6
69.47499	1.1
71.04970	1.4
71.70292	1.4
71.70667	1.1
79.05499	9.7
81.03397	3.2
81.07052	54.6
83.01341	13.9
83.04971	4.3
83.08668	1.2
91.05478	8.9
93.07041	5.9
95.04960	2.8
95.08593	4.2
97.06516	3.7
99.08068	1.5
103.05470	1.3
105.06995	3.1
107.08574	3.1
109.06502	9.5
109.10120	3.5
111.04430	2.0
115.05465	1.9
117.07013	1.5
119.04926	2.6
119.08569	3.8
121.10114	2.0
123.04423	2.1
125.06020	5.0
127.07549	17.7
131.04897	3.1
131.08557	2.0
133.10114	4.5
135.11612	1.2
137.05952	6.7
145.10133	1.9
149.05969	4.0
151.07471	1.2
152.04646	3.9
153.05469	3.8
153.06966	1.8
155.07062	1.4
159.11679	1.7
165.05522	2.6
167.07013	2.8
169.08572	1.5
171.11751	1.9
177.05429	3.8
181.10127	1.9
181.33763	1.1
183.06525	74.2
183.11604	1.4
185.13329	1.4
191.08501	1.8
193.10094	2.0
195.06523	91.9
205.15852	1.3
213.07578	39.3
219.07977	2.7
225.16617	1.1
251.10747	1.5
269.08920	2.4
269.11725	32.3
272.71793	1.4
299.12759	100.0
331.86163	1.1
387.15793	12.2
408.69272	1.3
475.35776	1.6
549.22864	1.7
567.23291	3.2
567.31573	3.0
567.40430	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	567.2374
Annotation	Iryantherin E
Peak:m/z	Relative Intensity
50.03722	0.5
53.03940	1.2
55.05485	0.6
58.50607	0.6
67.01860	12.0
67.05483	1.1
68.99776	0.8
69.07047	1.4
70.14128	2.7
70.14414	0.7
73.39059	0.6
79.05484	8.4
81.07050	51.3
83.00858	0.8
83.01331	13.4
83.04948	2.2
91.05471	7.2
93.07028	2.0
95.04924	0.7
95.08562	0.6
97.06515	2.4
99.08067	0.8
105.03387	1.0
105.07017	0.9
109.06512	11.0
111.04412	2.1
115.05448	1.4
119.04894	2.1
119.08552	0.9
121.06499	1.3
125.05987	6.6
127.07545	14.6
127.08419	1.2
131.04921	2.4
133.10103	0.8
137.05981	6.5
149.05988	4.4
151.07510	0.7
152.04642	2.6
153.05447	3.7
153.06886	1.3
155.07010	1.2
157.04971	0.8
165.05475	3.6
167.07095	2.7
169.08636	2.5
177.05443	4.7
183.06516	73.0
184.06752	0.6
191.08519	2.4
193.10104	1.6
194.17082	0.6
195.06516	96.8
213.07562	32.8
219.08083	5.6
251.10623	2.0
257.11710	1.9
269.11710	29.5
299.12756	100.0
300.12936	0.7
372.49438	0.5
381.15030	0.9
387.15863	12.2
387.20532	1.1
549.22760	3.3
567.23615	4.4
567.39990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	17.3
57.07068	9.1
60.36200	4.9
61.46113	4.6
67.05497	19.8
69.03387	7.4
69.07066	14.8
70.52646	9.8
73.83969	4.0
79.05487	20.7
81.07057	34.1
83.08611	9.8
91.05463	33.5
93.07042	33.3
95.04956	16.4
95.08592	29.4
96.35780	4.4
98.20842	4.2
105.07019	67.9
105.35275	4.6
107.08585	30.6
109.06505	7.8
109.10147	20.4
112.63346	4.1
117.07015	13.5
119.08571	71.6
121.10129	39.6
123.04411	4.3
123.08054	9.2
128.06261	7.3
129.07010	16.7
130.07739	4.3
130.49364	4.2
131.08562	27.3
133.10121	30.3
135.08035	6.7
135.11681	18.4
137.09616	7.5
141.06993	7.1
142.07776	20.7
143.08540	27.6
144.09404	5.8
145.10139	36.5
147.08018	10.1
147.11696	15.6
149.09633	5.2
151.07538	10.2
155.08566	15.4
156.09332	12.7
157.10098	39.7
158.10931	5.3
159.11745	16.2
161.09601	7.7
161.13219	4.5
163.11070	4.8
165.09134	18.7
166.50406	5.1
167.08575	8.9
167.10634	5.3
168.09334	10.8
169.10136	19.9
170.10902	6.5
171.11684	23.0
173.13258	19.8
179.08580	13.0
181.10139	13.5
182.10928	6.1
183.11661	19.5
185.13283	13.4
187.14827	6.6
189.12669	7.0
193.10150	15.8
195.11685	19.7
196.12483	4.8
197.13225	11.9
199.14839	11.8
203.14394	7.2
206.48909	4.9
207.11697	16.8
207.13684	8.5
208.12375	5.7
209.13272	18.4
211.14803	7.3
217.10191	7.2
218.10870	6.0
219.11699	8.3
220.12518	4.6
221.13229	13.9
221.15367	35.5
223.14793	11.1
231.11728	6.9
232.12502	4.6
233.13432	7.8
237.16389	9.9
239.18126	5.4
241.15900	5.1
245.13181	8.6
247.14761	6.6
257.13382	5.8
259.14951	6.2
261.16464	6.3
263.17831	5.6
265.19470	10.5
275.17944	5.6
299.17776	6.9
309.16681	6.0
313.27271	8.3
313.41190	4.3
357.25964	5.3
375.47055	4.5
473.33994	14.9
547.39429	16.3
565.40259	100.0
574.09528	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	565.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.42298	0.6
54.93525	0.6
55.05489	1.2
62.12197	0.7
67.05504	5.0
68.99764	0.9
69.03442	1.1
71.04996	0.9
71.44857	0.7
71.72678	1.1
79.05464	1.7
81.03396	0.9
81.07028	1.6
83.01315	1.6
83.04962	3.3
85.06519	1.2
91.05469	8.2
93.07022	1.3
95.04975	3.5
95.08588	1.0
98.78896	0.7
103.05466	3.3
105.03394	4.6
105.07021	1.6
109.10141	1.3
111.04449	1.3
113.05980	5.3
115.05467	2.0
117.07058	0.7
121.10107	1.0
128.06279	1.4
129.07013	1.1
131.04897	9.5
139.03877	1.2
155.08656	1.4
163.03874	3.6
165.05472	1.4
167.03406	0.8
181.04955	13.2
193.10173	3.1
199.05995	7.3
202.07764	7.6
214.09869	1.3
215.08600	4.5
215.10521	1.5
216.09352	1.6
217.10139	6.1
218.10916	1.5
231.08202	0.7
233.09637	0.8
239.10678	1.5
244.08684	1.1
257.09567	1.1
257.11847	2.7
257.51279	0.7
271.10757	0.7
276.07910	0.8
277.08652	2.6
278.09409	0.9
279.10248	2.2
281.11813	0.7
285.09152	2.7
291.10318	1.2
292.07852	0.8
292.11093	3.0
293.07968	1.5
293.11774	1.0
294.08832	1.5
305.08026	2.6
306.08786	4.1
307.09961	1.6
307.13321	4.5
309.11151	11.5
321.11212	9.7
330.61777	0.8
353.11896	0.9
369.14835	4.6
370.15717	2.5
381.11203	4.5
382.12006	6.2
383.12778	6.5
385.17990	6.7
397.09088	1.0
397.14307	18.8
398.15005	7.2
517.16486	1.9
547.21161	11.6
565.22192	100.0
566.22375	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	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01863	9.2
55.05507	40.4
57.03428	9.7
57.07076	2.7
59.04996	2.9
65.03928	4.2
67.05505	93.3
68.05826	3.4
69.03435	3.4
69.07069	23.4
70.32317	10.3
71.04987	10.9
73.68814	2.1
74.51404	2.1
77.03902	3.0
79.05492	55.5
80.05814	3.3
81.03421	16.9
81.07053	100.0
82.07377	6.0
83.04989	13.0
83.08622	24.2
85.02900	5.2
85.06535	5.4
85.63768	2.1
91.05476	49.1
93.06457	2.3
93.07040	59.0
95.04957	14.4
95.08603	61.7
97.05968	2.2
97.06509	12.9
97.10174	15.1
98.54639	2.3
99.08095	6.4
103.05493	2.7
105.07026	39.5
107.04963	4.6
107.08589	39.6
109.06522	8.5
109.10143	30.8
109.99077	2.5
111.04465	7.7
111.08062	8.7
115.05472	2.5
117.07008	15.3
119.08563	43.1
121.06438	2.3
121.10147	31.8
123.08053	6.8
123.11707	15.1
124.90478	2.6
125.09643	15.1
128.06273	3.3
129.06992	11.1
129.44160	2.4
131.08574	30.4
133.06458	3.9
133.10106	29.8
135.08083	5.5
135.11707	20.0
137.09674	3.4
137.13239	3.5
139.11168	3.3
143.08566	7.0
145.10101	22.8
147.07999	3.0
147.11688	25.4
149.09615	7.8
149.13211	10.8
151.11160	3.2
153.12749	3.4
155.08571	5.5
157.10133	16.0
159.11668	19.7
161.13216	11.8
163.11215	7.6
163.14847	3.3
165.12772	4.2
169.10120	4.5
171.11650	9.7
173.11942	3.1
173.13208	10.8
175.11168	5.6
175.14865	4.0
181.10219	3.2
181.12289	4.3
183.11691	5.6
185.13309	5.6
187.14850	5.5
189.11240	9.0
191.10611	3.7
193.12279	14.0
193.53621	2.5
195.11609	2.5
195.13773	4.0
197.13304	5.6
199.14874	3.2
206.83752	2.4
211.13249	22.6
211.14778	2.9
227.12837	10.2
229.14325	8.3
261.22174	10.7
267.15939	4.6
269.17447	3.7
275.20096	2.8
277.21408	3.6
279.23114	3.1
283.15451	2.9
285.16855	11.0
285.21988	4.4
299.23584	3.3
301.21686	3.6
301.25128	4.5
303.23209	10.4
316.41168	2.7
317.24692	5.2
327.23175	2.2
335.25876	18.4
341.24915	2.6
351.25430	3.1
359.25931	3.5
373.59464	2.3
391.28955	2.6
403.03488	2.8
417.31180	5.3
435.32385	9.3
453.33627	12.7
469.32849	2.3
470.32156	6.1
471.34366	9.4
487.33643	4.7
509.36371	3.6
527.29871	3.0
527.37231	33.7
528.37354	3.7
545.38361	72.3
563.31622	3.2
563.39258	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
53.22750	1.1
55.01856	3.5
55.05505	15.8
57.03420	9.9
57.07055	3.2
65.03928	2.5
66.90541	1.1
67.05495	72.2
69.06699	1.5
69.07059	22.5
71.04965	3.9
71.08607	2.6
77.03905	2.0
79.05031	2.2
79.05483	38.1
81.03424	1.7
81.07047	100.0
83.04958	5.4
83.08604	10.1
85.06527	5.0
87.04434	1.2
91.05469	29.1
93.07034	45.0
95.04965	5.9
95.08596	55.1
97.06539	7.1
97.10141	4.7
99.04523	1.2
99.08083	3.5
101.05985	1.1
105.06353	2.1
105.07020	35.3
106.07305	1.1
107.08579	28.3
109.06508	5.1
109.10148	19.8
111.08068	3.4
117.06998	6.9
119.08568	32.0
121.10130	28.3
123.08048	4.8
123.11702	25.9
123.12503	0.7
125.09590	2.3
129.06984	4.4
131.08553	13.0
133.06503	1.5
133.10118	12.1
135.11694	15.2
137.13243	5.6
143.08510	1.8
145.10088	10.1
147.11670	47.2
149.09587	2.2
149.13246	8.4
156.96161	1.1
157.10106	3.4
159.11760	7.0
161.13229	5.4
163.11053	1.6
163.14825	5.2
165.12743	23.8
171.11684	1.7
173.13293	5.5
175.11241	2.4
175.14737	2.2
177.16354	1.6
183.13823	3.7
187.14772	3.2
193.12163	1.7
201.16397	1.5
227.12619	1.3
229.14297	5.5
233.22575	1.7
243.21027	9.2
250.29868	1.2
261.19302	2.4
261.22098	37.7
267.15897	37.4
279.23184	6.7
279.57297	1.0
285.16956	36.6
317.24652	9.2
335.25766	49.8
396.31476	1.2
453.33606	3.2
471.34335	3.9
527.37128	5.7
545.38257	22.3
563.39252	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01856	6.0
55.05505	34.0
57.03421	10.6
57.07068	4.5
65.03913	3.5
66.43804	2.3
67.05146	4.4
67.05499	87.2
69.07059	25.3
70.87806	4.4
70.88150	3.7
71.04969	9.1
71.78851	2.5
76.42943	2.6
79.05479	55.6
81.03413	17.6
81.07049	100.0
83.04982	13.1
83.08613	23.2
85.02893	8.8
85.06527	6.9
91.05470	49.8
93.07037	60.5
95.04974	15.9
95.08593	60.0
97.06518	14.1
97.10134	19.7
99.08087	6.1
105.04503	3.2
105.07026	42.3
107.04948	5.9
107.08580	46.3
108.98592	2.3
109.06496	7.7
109.10136	36.9
111.04428	5.7
111.08077	9.2
112.10603	2.6
115.79055	2.7
117.07010	15.7
119.08558	39.9
121.06511	4.0
121.10117	27.4
123.08054	5.5
123.11678	10.1
125.09612	13.5
129.06981	14.2
131.08533	33.7
133.10132	24.0
135.11688	20.8
137.09572	5.5
139.11174	4.6
143.08566	11.3
145.10109	24.4
147.07997	2.8
147.11676	21.8
149.09602	5.8
149.13248	13.8
153.12723	3.8
155.08543	6.5
157.10110	18.7
159.11725	19.0
161.09590	3.3
161.13242	10.4
163.11153	9.4
169.10149	9.2
169.12198	2.7
171.11702	11.9
173.11839	2.9
173.13203	15.4
175.11177	6.5
175.14832	4.6
181.12184	3.6
183.11676	9.4
185.13197	9.0
187.14844	6.5
189.11200	11.5
193.12244	13.9
197.13179	5.1
199.14764	5.6
208.26868	2.8
211.13229	27.7
227.12860	12.6
227.17900	3.2
229.14247	4.8
243.21017	3.9
261.18292	2.7
261.22131	10.1
279.23233	5.6
285.16937	8.0
285.22028	6.3
287.20038	2.7
301.21729	3.2
301.24988	6.4
303.23218	9.6
311.24048	3.4
317.24759	6.4
327.23367	2.9
335.25754	13.9
337.23505	2.9
359.25861	3.2
417.31335	3.5
435.32492	9.1
453.33627	19.3
471.34732	13.9
473.32843	3.3
487.34244	4.6
489.35617	3.7
527.37329	35.2
545.38300	82.8
563.39325	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	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01858	10.0
55.02098	2.2
55.05506	35.8
57.03420	10.6
57.07065	4.6
57.68245	2.2
59.04979	2.4
65.03945	4.8
67.05496	89.3
69.03407	4.6
69.07056	24.0
70.66518	3.0
70.66867	8.9
71.04971	8.8
79.05480	57.7
81.03397	21.5
81.07047	100.0
83.04960	10.6
83.08614	28.4
85.02883	10.6
85.06543	2.6
91.04939	4.4
91.05470	52.6
93.07037	55.2
95.04942	16.4
95.08021	4.5
95.08597	57.9
97.06533	13.5
97.10162	19.1
98.56596	2.8
99.08072	2.9
105.07024	45.6
107.04950	5.4
107.08581	44.8
109.06485	6.9
109.10139	39.8
111.04430	7.7
111.08071	8.5
112.75954	2.7
113.09653	3.1
115.05439	2.3
117.07021	17.1
119.07751	3.7
119.08562	40.7
121.06546	4.6
121.10142	26.7
123.08052	5.2
123.11713	15.4
125.09607	16.5
129.06961	12.2
131.08556	31.7
133.10112	28.5
135.08047	3.4
135.11671	22.8
137.09544	4.6
139.11079	3.1
141.06938	3.6
143.08554	10.3
145.10120	29.1
147.08002	3.4
147.11659	23.1
149.09613	7.2
149.13263	14.1
153.12718	4.7
155.08519	6.4
157.10086	16.6
159.11668	24.9
161.09584	2.9
161.13254	7.0
163.11169	6.1
163.14789	3.9
163.76196	2.6
165.12804	2.8
168.33879	2.5
169.10118	7.3
171.11658	13.6
173.11885	2.8
173.13203	12.0
175.11156	8.2
175.14792	4.7
181.10074	5.2
181.12370	3.9
183.11682	7.1
185.13239	7.1
187.14822	8.1
189.11194	9.0
191.10631	3.6
193.12224	26.1
193.15846	2.4
195.13782	4.5
197.13269	4.9
199.14810	6.4
201.16347	3.8
209.13348	2.8
211.13245	28.4
211.14935	3.5
213.16350	4.4
227.12764	11.4
229.14287	3.6
243.15733	2.5
261.18906	2.3
261.22122	10.8
263.50198	2.3
267.15921	4.6
269.80121	2.8
277.21600	4.0
279.23236	3.1
285.16910	12.7
285.22095	8.2
285.58618	2.6
289.83228	3.0
301.24899	2.8
303.23071	8.6
317.24677	4.0
335.25748	15.1
341.24826	3.1
359.25629	4.7
377.26926	2.9
435.32678	12.2
453.33582	15.4
470.58328	2.8
471.34534	11.8
473.32446	4.6
487.34253	5.0
489.35873	5.7
509.35797	3.5
527.37335	41.0
545.38312	91.7
546.38672	3.3
563.39349	35.6
588.90503	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00328	1.6
53.03946	2.9
55.01851	2.2
55.05504	17.9
57.03432	7.0
57.07066	2.9
64.01926	1.4
64.40533	1.3
65.03932	3.3
67.05497	58.2
69.03402	1.2
69.07067	16.7
70.03549	2.8
70.03970	3.8
71.04989	3.0
71.08636	1.9
79.05483	30.8
81.03387	1.5
81.07050	100.0
83.04972	6.4
83.08598	9.8
85.02915	1.6
85.06544	4.4
91.05473	29.1
93.07039	34.3
95.04963	4.5
95.08599	48.0
97.06505	4.9
97.10181	3.6
99.08078	3.3
101.06035	1.4
105.07021	35.1
106.06202	1.2
107.08579	22.7
108.01087	1.2
109.06522	3.4
109.10152	13.9
111.08087	1.4
113.05962	1.5
117.07018	4.6
119.08572	26.2
121.10129	28.1
123.08075	4.2
123.11689	23.8
125.09624	1.9
127.07566	1.9
129.06995	2.1
131.08548	10.4
133.10101	8.1
135.08029	1.5
135.11662	11.2
137.05995	1.9
137.09604	1.6
137.13271	4.5
141.04623	1.2
143.08562	1.4
145.10081	8.2
147.11670	48.0
148.96884	1.2
149.13225	7.1
153.69647	1.2
157.10127	2.4
159.11688	6.1
161.13268	4.4
162.17142	1.1
163.11159	1.5
163.14825	4.0
165.12766	21.6
173.13274	5.1
173.69151	1.2
175.11310	2.0
175.14828	2.6
177.16394	1.6
183.13817	2.1
185.13179	1.3
187.14850	3.6
193.12239	2.2
211.13290	1.6
229.14307	6.5
243.21034	6.7
261.14746	1.3
261.22113	29.7
267.13245	2.2
267.15915	29.2
269.17444	1.7
279.23166	4.6
285.16965	34.4
317.24738	6.9
335.25769	32.7
336.26147	1.2
353.27158	2.4
453.33575	3.7
471.34650	4.6
487.55603	1.3
527.37042	4.4
545.38336	14.1
563.39838	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89156	1.4
52.40314	1.5
53.03937	3.5
55.01877	1.9
55.05507	17.9
57.03431	8.9
57.07083	3.3
57.85046	1.4
65.03959	1.5
66.95654	1.8
67.05499	68.1
69.07062	15.7
71.04971	3.5
71.08595	1.6
79.05488	37.3
81.03423	1.6
81.07050	100.0
83.04958	5.8
83.08609	8.2
85.06535	5.6
91.04950	2.3
91.05479	31.5
93.07037	40.7
95.04963	4.2
95.08598	50.8
97.06506	6.8
97.10141	4.4
99.01138	1.7
99.08092	3.1
105.07029	33.0
105.07742	2.3
107.08589	31.6
109.06502	4.6
109.10146	17.0
117.07024	5.3
119.08583	26.8
121.10130	31.0
123.08053	4.4
123.11696	25.4
125.09593	2.6
129.06970	2.1
131.08533	9.7
133.10129	12.5
135.11693	14.2
137.13255	4.5
145.10072	6.9
147.11673	42.4
149.13216	7.9
157.10046	1.7
159.11671	7.5
161.13271	5.4
163.14873	3.3
165.12762	22.2
173.13237	7.5
175.11180	2.0
175.14716	2.2
183.13834	2.2
187.14784	3.8
218.02672	1.6
229.14333	7.6
243.21086	7.1
261.22125	35.6
262.22495	1.7
267.15891	34.9
279.23166	6.0
285.16919	28.8
287.42120	1.6
317.24829	7.7
333.51801	1.5
335.25790	51.0
353.26675	3.2
391.27878	1.6
438.60553	1.4
465.49701	1.4
471.34741	2.8
527.37469	4.5
545.38275	16.0
563.38873	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01865	1.7
55.05509	13.5
57.03430	8.7
57.07066	2.8
59.04974	1.6
65.03935	1.7
67.05499	61.2
69.07056	18.2
71.04980	4.4
75.94189	1.2
79.05489	32.0
81.03425	1.3
81.07050	100.0
83.04959	3.7
83.08624	9.8
85.06539	5.8
91.04933	2.2
91.05469	24.8
92.97784	1.2
93.07037	37.0
95.04961	3.3
95.08600	50.0
97.06544	6.6
97.10176	2.6
99.08076	3.5
105.06350	2.3
105.07024	34.0
107.08589	26.1
109.06503	3.7
109.10154	18.2
111.08060	1.4
113.05993	1.6
117.07014	4.3
119.07755	2.3
119.08566	30.9
121.10136	27.6
123.08020	2.8
123.11697	27.8
125.62312	1.5
127.07558	2.3
129.06967	1.6
131.08575	8.9
133.10098	10.3
135.11678	8.1
137.13229	6.0
139.11189	1.2
145.10136	8.0
147.11678	50.2
149.09557	1.7
149.13258	8.3
151.11211	1.5
151.14827	1.5
157.10153	1.4
159.11700	6.8
161.13261	4.1
163.14825	4.0
165.12756	27.2
167.75792	1.1
173.13257	4.7
175.11145	1.7
177.16377	1.5
183.13780	5.0
187.14841	5.0
193.12276	2.0
229.14404	7.5
243.21074	8.4
249.73523	1.3
261.22131	32.9
267.15897	38.0
279.23264	6.8
285.16937	45.2
306.88177	1.3
317.24814	8.1
335.25757	40.2
335.29816	2.1
353.26727	2.2
435.32062	1.5
453.33606	3.2
471.34512	4.5
527.37384	6.5
545.38385	18.4
563.38916	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.7
55.01850	8.2
55.05506	41.2
57.03434	12.8
57.07067	4.4
59.05004	2.6
65.03920	5.4
67.05499	100.0
69.03408	5.2
69.07068	18.2
69.98639	13.2
71.04975	8.8
71.08607	2.9
76.28378	2.0
79.05485	60.4
81.03410	24.0
81.07048	97.4
83.04968	13.2
83.08618	26.6
85.02885	8.6
85.06532	6.1
91.05471	52.9
93.07038	66.9
94.07349	2.5
95.04955	21.6
95.08007	4.2
95.08597	65.3
97.06509	8.0
97.10158	14.3
98.20807	2.6
99.08084	5.1
105.07021	47.3
107.04920	5.4
107.08595	39.5
109.06492	8.5
109.10149	35.5
111.04421	7.4
111.08073	9.6
113.06010	3.4
113.09640	3.0
115.05457	3.3
117.07011	21.0
117.22633	2.0
119.08572	43.2
121.06484	5.0
121.10136	27.8
123.08046	8.3
123.11684	12.9
125.09623	12.5
128.06186	2.7
129.07004	11.1
131.08536	30.8
133.06488	3.2
133.10126	28.4
135.08092	2.4
135.11656	18.8
137.09604	5.4
138.53860	2.2
139.11145	4.7
141.06914	3.9
142.07750	5.2
143.08565	10.4
145.10104	21.9
146.73309	2.4
147.08078	4.1
147.11668	23.5
149.09651	3.7
149.13252	14.1
151.11168	7.8
153.12737	6.5
155.08496	5.7
157.10168	12.6
159.11662	16.7
161.13293	11.0
163.11143	8.0
163.14856	5.2
164.02922	2.2
165.12848	4.5
169.10103	8.7
171.11720	10.8
173.09602	4.3
173.13213	10.8
175.11162	8.5
175.14807	6.5
177.12654	2.2
179.14224	2.3
179.91943	2.0
181.10161	2.4
181.12244	7.6
183.11678	6.5
185.13205	8.3
187.14824	6.0
189.11206	7.5
193.12225	20.0
195.11748	4.1
195.13760	2.9
197.13289	3.8
199.14719	7.0
201.16364	3.8
209.13322	2.5
211.13188	22.8
215.17921	3.4
227.12729	9.6
229.14279	5.6
235.14642	2.7
243.20990	4.4
249.18672	2.3
249.95528	2.1
255.15497	2.7
261.22052	14.8
267.15744	4.4
269.17572	4.2
277.21585	4.0
279.23346	2.6
283.15442	3.2
285.16910	10.8
285.22125	6.6
291.23178	3.2
299.23785	2.7
301.25238	5.2
303.23193	4.7
317.24741	5.1
327.22601	2.6
335.25839	25.5
341.24515	3.0
351.25241	3.3
359.25626	4.5
373.27356	2.9
391.28378	2.8
425.33679	2.3
435.32687	11.6
453.33716	13.9
471.34912	13.6
473.32458	5.2
487.34329	3.8
489.35568	4.6
509.36288	2.7
527.37195	33.3
545.38269	87.7
563.39307	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34176	0.6
55.01858	1.3
61.01138	2.5
65.67971	0.6
67.05500	0.6
68.99770	1.5
71.04978	0.8
71.70777	0.9
72.04506	5.4
73.02917	0.6
78.03788	3.9
79.05488	0.8
81.03416	0.6
81.07037	1.3
83.04977	0.7
83.45916	0.5
85.02898	1.2
85.06531	0.9
86.06058	2.9
88.02205	4.2
93.07018	0.6
95.04964	0.8
97.02872	0.6
98.06049	1.6
99.05573	2.4
99.08060	0.8
102.03756	4.8
103.78928	0.5
107.04947	0.6
109.06490	0.6
112.87280	0.5
113.05995	0.9
114.03715	0.9
115.08702	2.9
119.05021	0.6
120.04731	0.8
124.07625	1.3
125.07092	0.7
125.45361	0.5
129.95078	0.5
130.08635	0.6
131.04915	0.8
131.06371	3.3
132.04767	6.2
137.05969	6.0
139.03902	2.2
141.06955	3.2
142.08607	2.8
145.06555	0.7
147.04404	1.3
149.07431	20.1
149.40680	0.6
151.03877	0.6
155.04909	0.9
159.05858	2.4
161.05943	0.7
163.07619	1.3
168.05681	1.9
169.06465	4.1
178.04985	11.8
183.04408	1.5
184.09656	1.3
185.05977	0.9
186.06761	0.6
187.07547	1.1
196.05150	1.8
197.05971	15.2
198.06879	0.7
202.06279	0.7
211.07629	1.0
213.05466	2.5
214.06227	8.5
215.07008	1.6
217.08617	0.8
224.04620	0.8
225.05452	15.5
226.06177	1.6
226.34604	0.5
228.04205	0.7
229.05089	1.0
229.08524	1.3
232.05988	1.7
239.06981	1.2
241.04840	1.2
242.05716	15.2
243.06465	2.7
243.11607	1.1
253.04947	18.2
254.05553	1.5
257.07993	4.4
261.12662	38.0
267.06424	0.8
269.02521	1.4
270.02502	1.1
270.05215	13.8
285.07559	100.0
286.07971	0.8
302.10336	0.9
303.04935	5.6
314.10287	1.5
331.04501	1.2
356.11240	7.7
393.01205	0.7
401.12402	0.7
417.11685	1.1
431.07608	0.7
433.14130	2.4
545.19580	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	563.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.03937	0.6
55.01866	1.4
57.03438	0.5
61.02913	0.2
68.99780	0.2
69.03407	0.4
71.70829	0.2
73.02905	0.2
77.03902	0.2
79.05485	1.3
81.03408	0.8
85.02894	2.3
91.05482	0.3
93.03396	0.1
93.07020	0.1
95.01328	0.4
95.04957	1.7
97.02879	0.9
99.04461	0.2
103.03968	0.6
103.04585	0.1
103.05441	0.2
105.04491	0.4
105.07032	0.2
107.04942	100.0
108.05273	1.0
109.02872	0.8
115.05450	0.2
117.06995	0.3
119.04931	0.3
121.02853	1.6
121.06473	0.7
123.04405	0.4
127.03909	0.2
128.06256	0.1
129.06999	0.4
131.04918	1.1
133.02924	0.1
133.06465	0.3
135.04390	0.4
137.02318	0.2
137.05963	0.3
139.03882	0.7
141.06981	0.3
143.04797	0.1
145.06503	0.6
147.04364	0.8
149.02321	0.4
149.05986	1.1
151.03865	0.9
153.06985	0.2
157.06467	0.4
159.04411	0.5
159.08095	0.2
161.05952	0.6
163.03880	1.4
165.05440	0.3
165.06873	0.1
167.03397	0.2
167.08548	0.1
169.06451	0.3
171.04413	0.6
171.08029	0.3
172.58434	0.1
173.02348	0.2
173.05940	1.4
175.03862	1.4
175.07497	0.3
177.01831	0.2
177.05458	1.6
179.03365	0.2
181.04948	1.2
181.06456	0.3
183.02933	0.1
183.04410	0.2
183.08018	0.2
185.05957	0.9
187.03905	1.7
187.07574	0.3
188.04628	0.1
189.01697	0.1
189.05499	1.0
191.03371	0.4
191.06985	0.4
192.04172	0.1
193.04951	2.0
195.08051	0.2
197.05940	0.7
198.35699	0.1
199.03822	0.6
199.07516	0.4
201.01848	0.1
201.05460	2.3
203.03436	0.5
203.06963	0.9
204.04123	0.1
205.04941	4.8
206.05374	0.1
207.02792	0.1
207.06398	0.3
209.06075	0.3
211.03877	0.3
211.07405	0.2
213.05431	1.5
215.03360	0.4
215.07001	0.5
215.51317	0.1
217.04942	3.2
219.02956	1.2
219.06468	2.7
219.08470	0.2
221.04330	0.6
221.06310	0.1
223.07709	0.2
225.05453	1.1
225.08937	0.1
226.06256	0.1
227.03340	0.3
227.07005	0.9
229.04944	2.3
231.02893	0.2
231.06483	2.4
233.04449	0.6
233.08044	0.2
235.05879	1.1
237.05440	0.3
239.03329	0.2
239.07028	0.5
241.04941	1.6
242.05740	0.2
243.02887	0.2
243.06491	1.7
244.07094	0.1
245.04335	0.7
245.08012	1.1
247.05969	6.2
251.07004	0.4
253.04988	1.5
254.05629	0.1
255.06503	1.5
257.04407	0.6
257.08023	0.5
259.05997	7.4
260.06305	0.1
261.03961	0.2
261.07498	0.3
265.04865	0.3
267.06509	1.0
268.14615	0.1
269.04382	0.4
269.08069	0.6
271.05969	4.1
272.06506	0.1
273.04352	0.2
273.07513	2.7
275.05350	0.2
277.07083	0.4
279.06491	0.9
281.04453	0.2
281.07993	0.2
283.05930	2.1
284.06390	0.1
285.04224	0.2
285.07483	1.9
287.05518	0.4
287.09091	1.0
289.06973	1.7
293.07941	0.3
295.06003	0.8
296.06699	0.1
297.07486	1.9
299.05496	0.4
299.09106	1.2
301.06992	4.9
303.04825	0.6
305.08054	0.2
307.05655	0.7
309.07544	0.4
311.05457	0.6
311.09085	1.2
313.06998	4.1
315.08658	0.4
319.08060	0.4
321.07599	0.2
323.09088	0.5
325.07007	3.6
325.10794	0.3
326.07385	0.2
327.05060	0.6
327.08435	0.2
331.08533	0.4
335.09094	0.6
337.07010	0.7
339.08713	0.4
341.10229	0.9
343.08063	2.0
347.08917	0.3
349.06894	0.2
353.10168	8.1
355.08038	0.9
359.09137	0.4
361.09106	0.8
365.10181	5.2
366.10446	0.2
367.07901	0.6
371.08716	0.1
373.09848	0.2
377.02036	0.2
377.10077	2.1
377.14548	0.2
381.09503	0.2
383.11188	1.7
385.09476	0.5
389.10110	1.3
391.11633	0.3
393.09534	0.5
395.11194	3.8
401.12479	1.8
403.11359	0.5
407.11224	11.2
408.11551	0.3
411.10611	0.3
413.12469	2.5
417.13510	0.1
419.11157	8.7
420.11646	0.2
421.12067	0.1
425.12186	1.1
429.11618	0.4
431.13272	12.0
432.13342	0.3
433.12860	0.1
437.12445	0.8
443.11526	0.5
445.13126	0.1
449.12289	9.1
450.12299	0.3
451.14078	0.1
455.11743	0.3
461.12265	3.5
467.13339	5.3
468.13422	0.2
473.12292	1.4
479.13376	4.2
485.14380	5.9
486.14630	0.2
491.13333	2.0
491.20184	0.1
497.14368	6.9
498.14890	0.2
509.14377	3.1
515.15662	0.2
521.71777	0.1
527.15417	3.0
528.15668	0.1
545.16406	2.2
563.17505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16033	1.8
55.01866	4.5
55.05515	13.1
57.03437	12.7
66.94830	1.8
67.05505	21.1
69.03420	4.2
69.07056	7.3
71.05006	4.7
71.48372	2.4
71.48727	3.4
79.05497	23.3
81.03410	81.1
81.07052	25.9
83.04971	11.3
83.08604	20.0
85.02889	8.1
85.06516	3.4
91.05468	24.9
92.84747	1.9
93.07020	13.0
95.04958	25.8
95.08594	8.6
97.00960	1.7
97.02892	3.8
97.06521	6.2
97.10154	6.8
105.07027	20.6
107.04948	9.1
107.08584	7.2
109.06506	5.5
109.10126	5.4
111.04372	2.2
111.08060	9.0
113.06033	2.6
115.05470	2.6
117.07008	2.9
119.08575	16.9
121.06487	3.9
121.10139	6.5
123.08012	2.4
129.06987	11.5
131.08549	13.1
133.06505	3.0
133.10130	7.2
141.06955	2.1
142.07831	2.4
145.06482	3.1
145.10080	2.6
147.08044	2.4
147.11650	10.1
149.09651	6.3
156.62770	2.3
157.10127	13.0
165.12746	2.3
175.11230	9.7
193.12239	31.6
202.43297	2.3
211.13249	23.5
249.14769	4.4
255.14044	2.3
267.15894	100.0
273.14822	2.4
285.16956	18.1
327.24777	2.2
349.21600	4.5
367.22626	11.0
385.23721	12.6
403.24863	4.5
433.25626	9.8
441.26321	4.0
459.27460	50.2
477.28473	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	561.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59658	0.9
53.03940	6.1
55.01867	1.8
55.05507	29.0
57.03446	5.0
57.07076	3.7
59.05020	1.2
65.03953	4.1
66.52187	1.1
67.05502	91.2
68.05872	1.3
68.61886	1.0
69.03441	3.9
69.07064	23.5
71.04988	50.3
71.08663	1.7
79.05488	65.2
81.03442	3.4
81.07052	100.0
83.04977	10.6
83.08606	13.2
85.06545	7.0
91.05476	61.7
91.06042	2.5
93.07037	67.6
95.04958	9.9
95.08601	46.4
95.09193	2.2
97.06520	8.9
97.10123	5.0
98.21573	2.5
99.08125	3.2
103.05499	1.4
105.04543	1.7
105.07021	40.9
107.04993	2.7
107.08589	32.2
109.06541	5.9
109.10154	19.1
111.08101	4.2
115.05493	1.6
117.07018	12.8
117.07794	1.0
119.08571	18.6
121.06541	2.0
121.10139	23.7
121.10986	1.4
123.08100	3.9
123.11707	16.8
125.09675	2.9
126.84178	1.1
129.07042	4.4
131.08563	18.9
133.10123	31.3
133.95341	1.0
134.34647	1.1
135.08107	2.0
135.10693	1.1
135.11673	17.5
139.11212	1.8
141.06995	1.4
143.08549	5.0
145.10106	13.0
145.81061	1.2
147.11697	9.5
149.09639	1.6
149.13245	11.5
151.11156	11.1
153.12836	1.2
156.09294	1.3
157.10213	4.4
159.11700	13.6
159.12769	1.1
161.13234	7.5
161.34219	1.0
163.11214	2.7
163.14871	1.7
165.12837	1.9
167.14351	1.5
169.10159	1.6
171.11783	3.3
173.09656	1.3
173.13271	5.2
175.14883	1.8
177.12836	4.5
179.14293	2.2
183.12170	1.9
183.13789	14.2
185.13324	2.5
187.13329	3.1
187.14890	2.7
195.12230	1.5
195.13820	5.8
197.13495	1.2
199.14917	1.9
201.16632	1.2
227.12878	3.4
227.16461	2.8
229.74483	1.4
243.21094	1.5
253.14465	2.8
253.18057	2.3
257.17468	2.0
259.20599	1.7
261.22284	4.8
269.17664	3.2
271.20456	1.5
275.20236	2.1
277.21805	2.2
283.15707	1.4
283.19199	3.1
285.17133	2.6
291.19583	1.5
293.21216	2.8
315.23523	1.2
317.24969	1.8
335.25958	1.8
361.27640	1.6
363.25406	2.2
437.34436	4.0
473.93427	1.3
511.38177	1.7
517.38910	18.1
529.38873	28.5
543.36908	5.4
561.41614	54.0
562.41516	1.6
565.49768	1.5
577.80237	1.2
589.13245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
53.03937	5.0
55.01869	2.8
55.05506	21.5
57.03427	4.4
57.07059	3.7
59.04999	1.2
61.02924	1.1
65.03632	0.8
65.03941	3.2
67.05498	85.0
68.05859	1.0
69.03425	2.3
69.07059	18.0
70.31664	2.1
70.32072	1.7
71.04988	52.4
71.08620	2.8
75.44674	0.7
77.03917	1.4
79.05108	0.7
79.05486	65.4
81.03415	3.8
81.07048	100.0
83.04976	11.0
83.08613	11.6
83.72029	0.8
85.06534	7.2
91.05473	63.1
92.05795	1.2
93.07037	65.7
94.07341	0.8
95.04959	10.8
95.08597	35.0
97.06519	11.2
97.10170	4.7
98.20797	0.9
99.08098	4.3
100.16776	0.8
103.05470	1.4
105.04517	2.4
105.07021	32.4
105.07723	1.6
106.99315	0.7
107.04957	1.8
107.08583	38.4
108.08872	0.7
109.06503	4.6
109.10139	17.6
111.08061	3.9
113.09740	0.9
115.44743	0.7
117.07001	11.2
119.08575	15.5
121.06531	1.7
121.10135	25.5
121.10980	1.3
123.08120	2.6
123.11699	19.0
123.12532	1.5
125.09668	1.8
129.07036	2.2
131.08557	15.5
131.09468	1.2
133.10115	28.3
135.08087	1.7
135.11685	15.7
137.09651	0.9
139.11229	1.1
143.08595	1.7
145.10101	7.9
147.11671	6.5
149.09631	1.6
149.13246	12.3
151.11176	14.3
153.12769	1.0
155.08517	1.1
157.10036	1.5
159.11684	13.2
161.13228	5.3
163.11127	1.0
163.14859	1.6
166.63403	0.8
169.12233	1.4
171.11685	1.6
173.13293	3.4
175.14755	1.7
177.12738	4.3
183.12199	0.8
183.13794	15.6
185.13290	1.1
187.13345	3.5
187.14894	2.6
191.14380	0.9
195.13791	6.2
195.41545	0.9
201.14807	1.0
227.12697	1.6
227.16457	1.7
243.21245	0.9
257.17371	1.5
259.20929	1.5
261.22076	4.8
267.15878	1.1
269.17520	2.7
275.20151	0.7
277.21683	1.8
283.19165	3.3
285.16956	5.5
293.21051	5.9
315.23462	0.8
317.24823	1.8
335.25842	2.3
349.27518	1.2
361.27533	1.8
363.25397	2.4
399.81915	1.0
437.34290	1.6
517.38885	27.1
518.39398	1.3
529.38824	10.2
543.37231	3.4
561.41553	62.4
562.41876	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	561.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03934	4.5
55.01854	2.5
55.05507	20.7
55.62020	1.0
57.03424	1.6
57.07066	2.3
59.05005	1.2
65.03927	4.1
67.05498	86.4
69.03403	3.2
69.07060	16.9
71.04988	52.9
71.08643	1.0
71.22176	2.5
79.05485	59.3
79.24312	1.2
81.03400	1.5
81.07050	100.0
83.04961	10.9
83.08599	11.5
85.06543	7.8
87.04432	1.4
91.05475	57.6
93.07037	68.6
95.04956	10.6
95.08601	39.0
95.09212	1.8
97.06530	10.5
97.10157	2.1
99.08087	2.6
105.04472	2.3
105.06347	2.4
105.07021	32.6
107.05008	1.2
107.08582	31.7
109.06512	3.3
109.10146	17.1
111.08061	3.6
117.07021	10.8
119.08566	14.3
121.10126	22.5
123.11696	16.5
125.09627	3.3
129.07005	1.9
131.08566	13.5
133.10118	29.6
135.11684	18.0
143.08575	1.4
145.10109	6.8
147.11699	6.0
149.13269	12.4
151.11153	14.2
151.12090	1.1
157.10101	1.4
159.11694	13.6
161.13280	3.7
163.14877	1.1
165.12746	1.6
169.12123	1.5
171.11749	1.5
173.13263	2.8
174.20880	1.2
175.14879	2.6
177.12756	4.7
179.14265	1.5
183.13795	19.7
187.13342	1.6
187.14841	2.1
195.12085	1.2
195.13747	6.7
201.14784	1.5
227.16402	2.1
253.17937	1.5
257.17511	1.6
261.22064	5.1
261.42752	1.1
269.17505	1.9
283.19022	4.4
285.16885	7.0
289.07364	1.1
289.21664	1.4
312.77020	1.1
317.24487	1.3
335.25952	2.3
361.27625	3.1
363.25247	5.3
437.33911	1.3
517.38873	26.5
529.38806	14.4
561.41492	69.6
562.41846	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01852	4.6
55.05511	21.0
55.95148	1.3
57.03431	10.1
57.07073	3.6
64.74979	1.3
65.03942	3.9
67.05499	57.3
67.05859	2.9
68.74429	1.4
69.03421	1.7
69.06708	1.8
69.07059	22.8
69.45903	10.0
69.46317	3.5
71.04982	7.1
71.08611	3.7
74.86669	1.5
79.05486	47.5
81.03413	6.9
81.07050	100.0
82.07378	2.5
83.04962	8.4
83.08607	11.8
84.98430	1.5
85.02870	2.6
85.06523	7.5
91.05473	62.1
93.07037	47.8
95.04977	9.6
95.08595	34.1
97.06515	10.4
97.10166	4.8
98.21513	3.7
99.08082	4.4
101.06011	2.3
103.05450	2.1
105.07023	65.9
107.04935	3.9
107.08588	34.0
109.06515	6.2
109.10145	11.2
111.08070	3.5
112.86965	1.5
115.05431	1.7
117.07006	14.7
119.08578	67.8
121.06476	2.1
121.10140	31.4
123.08056	6.2
123.11697	26.8
125.09631	3.4
127.07535	3.7
128.13879	1.4
129.06999	10.3
131.08553	23.4
133.06432	2.5
133.10112	37.7
135.08029	2.4
135.11694	15.6
137.13219	2.1
142.07767	2.0
143.08562	8.8
145.10138	19.6
147.11673	82.0
149.09598	1.7
149.13260	12.2
157.10094	10.5
159.11659	15.6
161.13239	32.3
163.11157	3.2
163.14825	3.8
164.77377	1.5
165.12746	25.4
169.10080	2.2
171.11696	13.1
173.11951	1.7
173.13214	8.5
175.11235	4.6
175.14809	13.7
177.12738	2.2
179.14339	5.5
183.13817	2.5
185.13295	9.0
187.14775	4.7
191.14336	1.6
193.12250	5.7
197.13374	1.8
199.14781	4.7
211.13240	3.7
213.16414	2.8
217.19435	1.6
227.12756	1.9
229.14346	5.9
231.17297	1.9
231.21097	6.8
241.19489	32.5
257.19119	1.9
259.20560	70.8
262.29227	1.5
267.15906	27.7
269.17258	2.1
275.20044	8.4
275.22696	1.6
277.21558	10.6
284.45575	1.7
285.16946	48.3
315.23065	8.4
333.24222	44.5
349.23642	2.1
351.25220	7.4
364.04797	1.9
376.12726	1.8
433.31171	3.1
451.32019	2.3
469.33060	2.9
525.35724	5.4
543.36725	25.8
561.37952	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.1
53.00274	1.1
53.03926	3.8
55.01857	3.8
55.04542	1.1
55.05253	1.0
55.05507	18.7
57.03435	10.2
57.07074	2.3
65.03909	3.0
65.22243	1.2
67.05497	48.2
68.05820	1.2
69.03423	1.3
69.07063	22.4
71.04971	5.1
71.08601	3.2
79.05486	45.7
81.03403	7.3
81.07050	100.0
82.07365	1.6
83.04969	8.7
83.08617	11.1
85.02900	1.9
85.06519	4.8
91.05473	60.0
93.06443	2.1
93.07037	44.3
95.04973	6.7
95.08600	36.1
97.06513	7.9
97.10152	2.4
98.21467	3.3
99.04494	1.2
99.08086	6.3
101.05977	1.4
103.03914	1.1
103.05437	1.5
105.07021	68.4
107.04930	2.5
107.08590	28.4
109.06496	5.7
109.10132	8.8
111.08051	3.3
113.06007	1.6
115.33668	1.2
117.07005	13.8
119.08572	64.1
121.06460	1.8
121.10132	31.4
123.08041	3.8
123.11705	19.7
125.09644	1.9
127.07523	2.2
129.06990	7.2
131.08554	17.6
133.06438	1.5
133.10110	25.4
135.07991	1.9
135.11670	14.7
137.09544	1.3
141.07024	1.2
141.09177	1.5
143.08578	7.4
145.10129	10.7
147.11676	74.8
148.12013	1.5
149.09666	2.6
149.13255	7.3
151.11191	2.7
155.08530	1.4
157.10127	7.8
159.11649	10.7
161.13257	23.0
163.11189	2.1
163.14812	1.4
165.12749	25.5
169.10101	1.4
171.11693	8.6
173.13257	5.6
175.11229	3.3
175.14789	11.5
177.12729	1.6
179.14265	5.3
183.13763	3.8
185.13266	5.4
187.14796	2.1
189.12698	1.8
189.16386	1.2
193.12248	3.8
199.14793	4.1
201.16505	1.5
203.14401	1.4
211.13316	1.8
213.16417	2.7
229.14325	4.6
229.85167	1.2
231.21106	3.3
241.19482	27.0
243.21025	2.2
257.18903	2.0
259.20563	46.6
260.21063	1.6
267.15894	26.9
275.19965	1.4
277.21548	8.1
277.31671	1.1
285.16949	41.0
315.23160	4.3
333.24225	32.7
351.25217	6.0
451.31937	2.5
464.42935	1.4
469.33191	2.5
524.51819	1.2
525.35449	5.0
543.36810	15.3
561.38068	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01878	5.2
55.05503	20.5
57.03441	9.3
57.07061	4.7
65.03920	3.0
67.05158	4.1
67.05500	63.7
69.07063	19.1
71.04981	8.2
71.08615	2.8
79.05486	57.8
81.03408	5.3
81.07048	72.0
83.04965	8.3
83.08604	14.9
85.06528	2.5
91.05466	31.4
93.06451	3.5
93.07036	64.2
95.04950	13.6
95.08597	69.3
97.02887	1.8
97.06528	5.8
97.10178	4.4
98.20697	4.3
99.04413	2.4
99.08089	3.9
105.07026	26.3
107.04950	10.6
107.08589	45.3
109.06519	4.6
109.10151	22.3
111.04459	4.4
111.08063	2.8
117.07013	15.7
119.08566	19.9
121.06470	7.0
121.10136	24.4
123.11703	10.0
125.05956	2.4
125.09598	2.0
129.07005	4.3
130.07773	3.1
131.08540	14.7
133.10129	16.7
135.07977	2.4
135.11674	51.4
143.08549	3.4
145.10107	31.1
147.11673	10.1
149.09636	3.1
149.13255	7.1
151.11134	2.1
157.10103	2.4
159.11620	9.0
161.13219	5.0
163.11179	51.2
163.14796	3.4
173.09608	2.8
173.13231	5.7
177.16406	2.7
179.14310	2.2
181.12231	9.7
193.12285	1.9
209.11795	2.6
227.12764	100.0
243.21010	7.7
259.20535	2.1
261.22083	20.9
267.15973	2.8
275.19894	3.7
277.21603	5.5
283.15381	45.7
285.17075	2.6
293.21042	4.0
317.24780	11.0
335.21909	3.9
335.25778	54.6
469.33130	2.5
543.36682	33.3
561.37970	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01860	5.3
55.05508	26.2
57.03429	10.3
57.07058	5.0
65.03941	4.1
66.69083	1.8
66.94269	1.7
67.05497	87.4
69.03402	4.1
69.07061	28.5
69.72643	14.5
71.04987	31.1
71.08626	3.2
79.05486	72.8
81.03406	5.1
81.07050	100.0
83.04967	8.1
83.08607	14.1
85.06528	6.6
91.05469	47.0
93.07037	90.4
95.04934	13.9
95.08597	73.8
97.02871	2.8
97.06522	11.6
97.10159	6.5
99.08122	2.3
103.05490	2.3
104.19355	1.6
105.07024	35.6
107.04961	9.8
107.08583	49.6
109.06517	5.3
109.10158	25.1
111.04440	3.1
111.08068	2.7
117.07014	18.0
119.08565	23.6
121.06496	5.3
121.10142	32.1
123.08055	3.4
123.11703	15.1
125.05975	3.7
129.06990	2.7
131.08582	19.6
133.10120	27.8
135.08034	4.5
135.11690	50.2
143.08559	3.5
145.10098	29.4
147.11687	10.3
149.13235	12.3
151.11189	9.1
153.09006	2.4
155.84711	1.7
157.10078	4.5
159.11644	12.5
161.13268	7.6
163.11171	44.1
163.14854	2.7
171.11673	3.3
173.13229	6.8
177.12715	2.5
179.14268	3.0
181.12227	6.9
183.13791	5.8
185.13173	2.5
187.14813	4.3
189.16388	2.1
190.92030	2.0
195.13718	3.8
227.12756	71.7
243.21078	4.9
253.14348	3.1
261.22119	28.8
269.17468	2.6
275.20428	2.2
277.21606	3.5
283.15408	23.7
285.16858	2.8
291.19516	5.5
317.24756	8.6
335.25769	58.5
517.39020	13.4
529.38824	15.3
543.36646	32.0
544.36804	2.1
561.41736	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	561.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01864	5.6
57.03436	3.0
65.03937	3.1
67.05476	2.0
68.99809	2.8
70.43257	6.9
79.05472	3.0
81.03411	6.4
85.02870	8.6
89.86570	1.6
91.05454	3.1
93.03387	4.3
95.01367	2.3
95.04958	5.7
97.02879	14.4
103.03944	2.4
103.05473	3.4
105.03383	2.8
105.06964	3.8
107.04943	35.8
109.02879	13.8
111.04517	2.0
115.05453	5.3
115.76713	1.9
117.06978	4.7
119.04920	9.4
121.02854	30.0
121.06473	9.9
123.04419	7.5
129.07005	3.4
131.04922	11.0
133.06451	10.2
135.04395	32.1
135.05363	2.5
140.47461	1.8
141.07024	2.0
145.02821	3.1
145.06473	7.3
147.04390	26.8
147.07977	3.3
149.02307	4.9
149.06026	2.6
151.03891	6.4
153.01865	3.9
154.46191	2.0
157.06448	3.4
159.04353	11.1
161.02338	5.2
161.05971	12.9
163.03880	5.5
165.01866	12.9
171.04356	5.2
173.05977	20.5
175.00270	1.9
175.03943	5.8
175.07602	2.9
177.01793	17.4
177.05484	10.5
177.06784	1.9
179.03329	2.1
181.05038	2.9
181.06471	2.3
183.02873	4.9
183.04320	2.0
185.06049	3.7
187.03886	13.2
187.07507	3.0
189.01834	21.3
189.05482	5.2
191.03348	12.1
193.01328	1.8
195.02867	34.7
195.04544	2.4
197.05975	3.3
199.03854	2.9
201.01785	8.3
201.05443	34.4
203.03369	21.3
203.06952	3.5
205.01399	2.6
205.04955	3.8
207.02892	20.6
211.03926	1.8
213.05464	5.2
214.88707	1.9
215.03371	24.5
215.06976	4.3
217.01340	3.3
217.04961	4.5
219.00893	2.8
219.02888	30.7
221.00824	7.3
221.04349	9.5
223.02380	6.8
225.05452	6.1
227.03381	10.5
229.01396	2.4
229.04944	38.7
231.02864	77.8
231.06497	4.6
233.04485	9.4
235.02339	2.3
237.03748	1.9
239.03386	2.5
241.01329	3.3
241.04994	6.1
243.02864	60.7
243.06499	11.1
245.04451	11.3
247.05960	4.6
249.03909	28.4
253.04802	8.6
255.02876	17.1
255.05589	2.0
255.06485	2.3
257.04440	41.7
259.02350	6.3
259.05823	1.7
261.03940	35.3
267.02908	4.2
269.04416	15.1
271.02310	4.9
271.06009	12.9
273.01181	3.0
273.03937	40.4
275.05487	3.1
279.04895	3.1
281.04413	8.5
283.02518	2.9
283.05988	4.6
285.03909	100.0
287.05429	4.5
289.03403	4.7
291.04987	24.7
295.05994	3.9
297.03906	27.8
297.07529	22.3
299.05469	17.9
301.03619	2.1
303.04935	6.1
307.04611	2.6
309.03934	7.8
309.07224	5.9
311.05460	4.0
313.07123	2.8
315.04935	19.6
323.05472	5.2
327.04935	74.6
339.04965	14.5
339.08569	2.6
345.05942	23.1
351.04877	2.7
351.08600	35.3
357.06061	19.4
363.07047	81.6
369.05960	11.8
375.07184	16.0
381.09662	15.6
387.06982	16.4
391.07944	2.4
393.09195	25.9
405.08417	57.7
409.09155	5.4
411.10742	16.0
417.09412	10.8
423.09317	30.3
427.10263	7.3
429.11850	63.7
435.10837	3.6
441.10269	48.4
447.10675	40.3
459.10510	8.9
465.11816	14.2
477.11801	12.1
483.12793	28.7
489.11877	8.1
495.12848	30.5
507.12955	19.9
513.14148	3.7
525.13751	23.5
543.07574	2.5
543.15002	29.9
561.15930	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.7
55.01862	4.1
55.05508	29.0
57.03436	14.8
57.07078	3.0
59.04977	2.5
65.03935	5.0
67.05499	91.1
68.21514	2.9
69.07059	22.9
69.67287	2.5
71.04984	6.6
71.08611	4.6
79.05492	82.7
81.03413	6.2
81.07049	100.0
83.04977	10.7
83.08610	11.9
85.06479	4.0
90.30508	2.7
91.05467	71.6
93.07038	86.2
95.04950	22.9
95.08017	4.5
95.08603	60.9
97.06516	9.2
97.10187	3.6
98.20692	6.5
105.07023	51.1
107.04965	7.2
107.08583	36.4
108.19714	2.8
109.06502	5.1
109.10147	19.2
115.05449	3.2
117.07024	15.8
119.08569	35.3
121.06462	4.3
121.10154	24.2
123.08092	5.4
123.11687	7.5
125.09660	3.4
128.06181	5.0
129.06989	23.2
131.08536	20.8
133.06387	2.7
133.10126	18.6
135.11713	16.2
143.08519	13.1
145.10112	20.0
147.08052	3.6
147.11679	37.5
149.13257	7.6
155.08540	5.1
157.10129	8.8
159.11705	14.4
161.09631	4.1
161.13263	18.4
169.10149	3.7
171.11623	27.9
173.13271	6.9
175.14789	3.5
179.14189	6.9
183.11713	3.2
185.13269	4.9
189.12737	9.4
199.14706	4.7
207.13797	10.6
258.14987	2.9
261.22156	9.1
273.18466	4.0
277.21826	3.2
281.17435	30.7
291.19452	5.2
294.16461	2.8
294.20282	3.1
299.99054	2.7
315.23175	3.7
335.25858	38.0
449.34433	4.9
527.37256	16.1
541.38953	46.9
559.40234	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	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.9
55.01885	3.9
55.05513	28.5
56.52406	3.2
57.03419	10.3
57.07060	5.4
57.47939	3.7
67.05152	7.4
67.05498	100.0
69.07067	26.1
69.70026	21.3
69.70436	7.9
74.55294	3.4
79.05485	86.2
81.03405	10.6
81.07051	84.0
83.04959	15.0
83.08620	18.8
85.06535	5.0
91.04939	5.2
91.05472	67.8
93.07037	82.1
95.04958	16.1
95.08599	51.5
97.06514	6.0
97.10159	4.5
98.21416	7.8
103.05412	3.5
104.78324	3.2
105.07012	47.8
105.54627	3.5
107.04934	9.8
107.08577	37.5
109.06525	4.4
109.10147	21.1
115.40309	3.5
117.06995	14.3
119.08571	36.8
121.06408	4.1
121.10141	20.4
123.08107	5.6
123.11701	7.1
129.06996	16.3
131.08575	18.5
133.10112	24.7
135.11690	13.2
142.97560	3.9
143.08557	11.3
145.10109	22.2
147.11681	27.2
149.09544	6.5
149.13252	8.8
157.10088	7.9
159.11722	11.4
160.12012	4.3
160.61383	3.3
161.13251	14.2
163.11163	4.2
169.10181	6.4
171.11713	22.8
173.13229	10.2
175.14676	3.9
183.11699	6.3
189.12646	8.1
199.14793	4.4
207.13722	19.1
213.16620	3.7
227.23636	3.7
261.22144	11.8
279.15857	7.0
281.17389	24.5
335.25809	41.7
437.06073	3.8
449.34134	4.8
527.36945	5.6
541.38983	66.1
559.39203	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	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
55.01870	2.2
55.05510	31.4
57.03426	14.7
57.07081	2.9
65.03938	3.1
67.05502	95.4
69.07059	20.7
71.04991	3.2
71.45556	4.9
79.05485	95.4
81.03409	9.6
81.07049	86.1
83.04980	12.9
83.08615	11.1
85.06528	5.1
91.05474	72.2
93.06441	5.6
93.07037	100.0
95.04961	25.9
95.08598	60.7
97.06535	3.9
97.10145	7.4
105.07020	55.0
107.04943	8.4
107.08575	39.9
109.06511	9.9
109.10162	19.9
111.08065	4.8
116.94158	2.7
117.07043	17.0
119.08556	34.7
121.06510	3.5
121.10149	22.2
121.88848	3.2
123.08038	7.1
123.11714	7.0
126.98318	2.5
127.07568	3.4
128.06238	3.5
129.06996	16.3
129.11682	2.5
131.08530	21.5
133.06537	2.8
133.10123	19.7
135.11647	14.7
139.58696	2.5
141.06966	3.2
143.08557	13.8
145.10139	17.8
147.08127	3.0
147.11665	39.2
149.13269	8.2
153.48163	2.5
155.08530	4.2
157.10135	5.1
158.84143	2.5
159.11685	8.4
161.09633	2.9
161.13280	13.9
163.14780	4.6
169.10159	5.7
171.11667	29.0
173.13274	7.5
179.14244	3.3
179.60233	2.3
185.13248	5.3
189.12767	9.8
199.14796	3.2
201.16307	3.7
207.13779	25.1
222.32808	3.4
222.35132	2.9
226.33643	2.4
261.22226	8.6
276.00403	2.5
279.15881	3.3
281.17450	41.1
317.24750	4.8
335.25790	57.4
387.54773	2.8
430.36960	2.7
443.45465	2.5
449.33984	4.4
467.35187	5.3
523.38025	3.1
541.38904	74.0
542.38873	5.1
559.39441	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	559.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83253	2.3
53.03931	9.7
55.01859	16.8
55.05506	53.0
57.03212	1.9
57.03434	18.1
59.04990	3.5
63.80866	2.2
64.77700	2.4
65.03919	3.6
65.99374	2.2
67.05501	94.9
69.03404	7.4
69.07061	33.5
70.37802	11.6
71.04975	9.9
79.05483	82.7
81.03410	87.2
81.07049	100.0
83.04972	20.0
83.08611	41.1
85.02888	9.0
85.06532	5.8
91.05476	78.2
93.07034	61.3
95.04962	41.9
95.08595	40.3
97.02850	4.6
97.06547	13.8
97.10152	31.9
98.20750	3.4
100.22528	2.3
105.04507	2.7
105.07022	66.8
107.04959	21.2
107.08584	53.3
109.06492	19.2
109.10145	37.7
111.08054	10.2
113.05972	2.2
113.09595	2.3
115.05421	5.9
117.07006	24.4
119.08566	55.2
121.06470	9.9
121.10136	28.5
123.08035	8.8
123.11711	11.5
125.09602	20.3
128.06189	4.0
129.05545	2.7
129.06985	23.9
131.04907	3.6
131.08572	39.6
133.06461	8.2
133.10129	39.6
135.08037	9.1
135.11674	10.4
137.09605	9.1
139.03877	2.9
141.07047	4.8
142.07816	5.9
143.08565	14.8
145.06482	4.2
145.10095	26.8
147.08003	6.9
147.11668	30.3
149.09625	17.8
149.13245	5.9
151.11122	3.6
153.09077	2.6
155.08510	6.6
157.10071	17.4
159.08025	3.8
159.11618	17.4
161.09589	3.2
161.13217	9.3
163.11200	14.3
165.12683	7.0
169.10086	10.6
171.11662	9.3
173.09641	8.4
173.11728	3.7
173.13200	9.2
175.11188	13.4
177.12668	4.0
181.10114	3.3
183.11742	5.4
185.13258	6.4
187.11179	5.5
187.13260	3.1
189.11206	16.9
189.12732	3.9
191.95711	2.6
193.12230	31.6
195.11563	4.0
197.13225	6.2
199.14806	4.6
201.12704	3.4
209.09578	2.5
211.11464	2.3
211.13171	14.4
219.13692	3.3
227.12740	9.8
229.14253	2.6
229.19463	5.9
233.15231	3.3
239.17802	3.9
247.20720	3.3
249.14900	3.5
257.18933	12.0
267.15872	28.1
275.20041	61.5
293.21057	7.0
297.22186	4.7
299.19946	8.1
315.23218	7.7
317.20947	5.1
337.15793	3.2
349.23520	15.2
373.23578	3.7
397.17719	3.8
421.30997	2.9
431.29279	3.8
439.32080	2.8
449.30341	9.2
467.31461	18.7
485.32446	8.3
523.33917	3.1
541.35193	49.8
559.36292	76.6
560.36267	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	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.0
55.01872	24.4
55.05506	27.3
57.03431	11.3
57.07081	2.0
65.03931	4.7
67.05501	75.7
69.03416	6.5
69.07064	41.1
71.04988	6.5
79.05486	59.3
81.03414	57.5
81.03897	2.8
81.07052	77.4
83.04978	15.1
83.08613	23.6
85.02913	12.1
85.06525	3.6
91.05475	75.5
93.07040	52.5
93.07603	3.3
95.01334	11.2
95.04961	29.9
95.08600	43.1
97.06528	35.2
97.10168	10.1
99.08059	3.4
103.05463	2.4
105.07024	83.1
107.04942	27.0
107.08589	27.4
109.06512	8.5
109.10152	13.8
109.43442	1.7
111.04439	2.5
111.08069	9.3
115.05461	3.1
117.06997	21.9
119.08572	49.7
121.06503	5.9
121.10130	19.0
123.04443	3.1
123.08066	7.9
123.11704	6.5
125.09642	4.2
128.06256	3.5
129.07008	15.7
131.04951	1.5
131.08556	35.6
133.06509	5.8
133.10120	49.0
135.08084	4.5
135.11670	9.6
137.09624	3.8
141.06984	3.0
142.07774	2.9
143.08516	7.7
145.06480	3.1
145.10114	23.5
147.08057	7.0
147.11694	26.7
149.09605	13.4
149.13235	8.6
151.11139	4.4
153.09085	2.2
155.08557	3.2
157.10110	13.6
159.08072	2.3
159.11674	14.7
161.09601	3.4
161.13278	6.7
163.11197	5.8
165.09146	4.2
165.12778	3.8
169.10152	6.1
171.11714	4.9
173.09555	2.2
173.11920	1.8
173.13287	6.7
175.11174	7.3
177.12730	5.1
179.14288	18.9
183.11716	4.6
185.09602	1.5
185.13225	2.9
187.11188	4.9
187.14938	1.6
189.11180	2.6
189.12703	1.7
192.89278	1.6
193.12253	18.9
195.13809	3.2
197.13283	3.6
199.14790	2.1
205.12288	3.1
211.13258	15.8
219.13885	1.9
219.17581	2.3
223.13290	3.8
227.12711	3.2
229.12335	1.8
229.19673	2.5
233.15395	2.4
239.18033	3.3
241.14345	2.2
247.20622	2.9
249.14951	2.2
257.18903	9.1
267.15894	39.8
273.18506	4.8
275.20056	100.0
279.15717	1.6
291.19513	18.8
293.21100	9.6
299.20175	3.0
349.23746	19.6
449.30545	2.2
467.31387	3.6
485.32321	2.2
541.35291	39.0
559.36261	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.7
55.01872	16.0
55.05507	46.0
56.54396	1.7
57.03437	13.1
57.07070	3.5
59.04992	3.3
59.56732	1.7
65.03931	6.2
67.05502	73.0
69.03422	6.4
69.07063	34.4
70.06588	2.1
71.04974	6.9
71.15046	4.2
72.01733	1.6
79.05487	71.7
79.12420	1.7
81.03410	70.4
81.07051	95.4
83.01343	5.6
83.04989	16.4
83.08615	30.8
85.02890	10.4
85.06551	4.7
91.05476	100.0
93.07040	56.2
93.07607	3.9
95.04960	40.9
95.08604	41.8
97.02909	2.0
97.06513	15.8
97.10168	20.0
99.08102	2.4
103.05423	4.7
105.03371	2.0
105.07028	68.1
107.04963	17.3
107.08582	36.6
109.02875	2.2
109.06529	14.9
109.10149	19.3
111.04440	2.5
111.08057	9.0
115.05442	10.7
116.06219	2.7
117.07014	61.8
117.07819	4.1
119.08575	48.1
120.70246	2.1
121.06493	9.7
121.10138	20.1
123.04404	1.9
123.08071	9.0
123.11693	8.9
125.09634	10.4
128.06259	4.3
129.06990	27.4
130.07793	2.1
131.08563	38.1
133.06505	7.6
133.10115	33.7
135.08078	7.8
135.11702	9.3
137.05974	3.5
137.09599	6.7
139.03882	4.7
139.11160	3.1
141.07013	7.2
142.07790	6.1
143.08577	16.2
145.06516	5.0
145.10129	28.6
147.08067	7.2
147.11671	27.2
149.09622	21.6
149.13271	7.8
151.11157	4.5
153.07053	2.5
153.09094	2.4
155.08557	9.4
157.06470	2.6
157.10124	21.3
159.08087	5.4
159.11697	17.5
161.05948	2.5
161.09656	7.3
161.13290	4.3
163.11211	12.3
165.06992	2.4
165.12816	5.7
167.06987	1.8
167.08530	3.9
168.04172	5.8
169.04976	4.3
169.10112	10.6
171.08157	2.4
171.11658	11.8
173.09628	4.0
173.13217	9.8
175.11229	12.8
177.12737	5.8
179.14250	4.2
181.10118	5.5
183.11745	7.8
185.09679	3.1
185.13283	7.5
187.07594	2.9
187.11151	3.4
187.14819	3.8
189.11206	9.0
189.12740	2.1
193.04921	2.0
193.10316	2.4
193.12233	30.8
195.11778	3.9
197.13341	6.6
199.14909	2.3
201.12912	2.3
201.16414	2.2
205.12260	2.4
209.13304	2.2
211.13205	15.6
217.04985	3.4
219.17432	2.2
227.12816	7.0
229.19472	3.5
231.13791	2.1
237.12762	2.0
239.18098	5.1
243.06509	2.8
247.17068	2.1
247.20485	3.3
249.14915	3.5
253.14404	2.4
257.19025	17.1
259.20532	2.1
267.15878	24.7
269.17300	2.9
271.09583	9.1
273.18570	6.2
275.20065	55.0
281.19095	3.5
285.17175	2.5
289.06891	2.4
291.19617	6.3
293.21130	5.4
297.22012	2.9
299.20145	5.5
315.23364	5.1
317.21307	3.4
331.22894	2.6
349.23792	13.5
369.24536	2.4
375.11905	2.7
393.13562	3.8
418.25357	1.9
421.31058	2.3
431.29401	5.9
435.27026	3.5
437.12598	2.7
449.30423	10.3
455.13635	6.7
461.28912	3.0
467.31616	13.7
485.32730	6.4
523.34186	4.8
541.35291	44.9
559.19452	20.2
559.36395	77.5
560.19995	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55029	2.3
53.03952	13.0
53.04161	2.4
53.37573	2.6
55.01878	15.7
55.05508	51.6
57.03428	14.5
57.07052	4.1
63.35403	2.4
65.03939	4.2
67.05145	5.2
67.05502	91.4
69.03427	8.5
69.07063	40.8
70.17256	12.8
71.04984	10.2
71.08598	2.5
71.80852	2.6
79.05490	77.1
79.51134	2.2
81.03416	70.0
81.07054	100.0
83.04971	18.0
83.08612	30.7
85.02908	14.8
85.06522	5.2
91.05476	85.5
93.07042	59.7
95.04961	40.1
95.08604	44.2
96.09031	2.3
97.02893	3.8
97.06539	19.5
97.10159	14.3
100.57883	2.5
103.05454	2.8
104.65693	2.6
105.07020	70.2
107.04942	18.7
107.08589	42.3
109.06507	16.5
109.10152	20.2
111.08083	13.1
113.05974	3.3
113.09620	3.1
115.05483	4.0
117.06998	27.5
119.08574	54.3
121.06506	11.0
121.10146	27.2
123.04405	3.5
123.08072	10.7
123.11713	8.1
125.09647	13.4
128.06238	4.2
129.06989	23.0
131.08562	42.9
133.06534	8.5
133.10138	39.8
135.08061	9.9
135.11688	13.9
137.09668	6.5
141.07010	7.7
142.07803	7.1
143.08524	12.8
145.06477	5.0
145.10120	32.7
147.08067	7.4
147.11687	32.9
149.09621	20.3
149.13287	5.0
151.11230	3.9
155.08575	8.3
157.10156	22.9
157.11353	3.7
159.11700	24.1
161.09624	3.9
161.13243	6.9
162.43436	2.5
163.11200	12.4
165.12776	5.5
169.10156	7.7
171.11710	9.7
173.09644	3.1
173.13287	9.8
175.11229	18.4
179.14389	7.0
181.10065	3.5
183.11705	8.1
185.13277	8.4
187.11189	5.1
189.11279	5.5
193.12204	36.0
195.11743	6.3
197.13280	5.6
201.12714	3.1
211.13234	25.5
211.14825	2.7
227.12773	6.2
229.19591	3.3
233.15521	3.5
234.67563	2.9
239.18019	5.3
247.20627	4.5
257.19006	19.9
267.15906	32.3
273.18488	7.8
275.20038	60.1
285.16922	5.6
291.19672	6.0
293.21091	4.7
299.20129	5.5
313.21832	4.3
315.23315	4.8
317.21237	4.7
331.22882	5.7
349.23645	13.4
431.29379	5.4
447.27603	2.9
449.30667	7.5
465.41013	2.9
467.31708	6.9
506.78900	2.5
523.34454	7.4
541.35284	42.2
559.36389	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84495	0.2
53.00300	1.0
55.05495	0.3
57.03430	0.3
65.03930	1.6
65.72040	0.2
67.05493	0.5
68.99782	1.5
69.84843	1.0
69.85257	0.5
71.04977	1.0
73.25111	0.2
77.73046	0.3
79.05479	0.6
81.03418	0.3
81.07027	0.6
83.04958	0.3
85.02905	0.3
90.44338	0.2
91.05460	0.5
93.03399	0.5
93.07027	0.6
95.04961	0.7
95.08578	0.3
98.21362	0.4
105.03404	0.3
105.07015	0.6
107.04954	0.7
107.08603	0.4
109.06509	0.9
110.29786	0.2
111.00817	2.1
111.04420	1.6
119.08575	0.6
121.02859	1.6
121.06464	0.2
121.10104	0.3
123.04426	1.8
123.08060	8.0
127.03891	1.0
133.02870	0.5
133.10147	0.5
135.04440	0.5
135.08034	3.4
137.09610	0.3
139.03888	100.0
140.04218	1.0
145.02844	0.3
147.11644	1.3
149.05994	0.7
151.03897	6.2
151.07544	0.3
152.25328	0.3
153.01788	0.4
153.05501	0.3
157.10187	0.3
161.05949	0.5
163.03891	8.8
163.07539	0.3
165.12695	1.6
175.11142	0.8
177.05426	0.5
179.07053	1.6
181.04961	0.3
181.08588	4.4
183.10173	0.8
183.13744	0.4
189.12730	0.7
193.12227	4.8
205.04941	4.3
211.13292	0.4
217.12169	0.3
229.14444	1.3
235.13248	2.1
243.06474	0.4
253.14345	2.8
271.05682	0.2
271.15277	0.6
289.07047	21.6
290.07452	0.6
333.13303	0.3
356.51212	0.3
385.16171	0.3
397.25363	0.6
452.23462	0.3
523.19403	0.8
551.10767	0.3
559.30402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.9
55.01864	0.2
55.05471	0.2
62.34003	0.2
65.03929	1.3
66.83900	0.2
67.05514	0.2
68.99778	0.8
69.03424	0.2
70.72544	0.2
70.72895	0.6
75.04478	0.2
75.95955	0.2
78.76440	0.2
79.05473	0.2
83.04968	0.3
85.02882	0.2
93.03400	0.3
93.07034	0.2
95.08568	0.2
97.02898	0.2
107.04955	0.4
107.08601	0.2
111.00777	0.7
111.04436	1.7
112.32449	0.2
121.02853	1.3
121.10123	0.3
122.03728	0.2
122.17522	0.2
123.04452	1.8
127.03890	0.4
133.02841	0.3
135.04425	0.5
137.05972	8.5
139.03894	100.0
140.04221	0.8
151.03899	6.0
151.84589	0.2
161.05997	0.3
163.03908	5.3
164.04640	0.4
173.35382	0.2
175.07556	0.4
177.05507	0.4
179.07024	7.1
181.04994	0.4
197.08084	0.3
205.04955	1.7
229.04979	0.3
233.86433	0.2
247.06000	0.3
253.10696	2.9
259.34103	0.2
265.10748	0.2
271.11734	1.5
281.08221	0.2
281.58850	0.2
285.10574	0.2
288.42719	0.2
289.07062	9.9
290.07318	0.2
365.33487	0.2
427.15948	0.3
559.22937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09709	3.3
67.12567	3.9
69.03413	7.7
70.06566	6.0
71.70963	4.9
79.05482	4.8
85.02881	15.0
86.09703	3.9
91.05465	12.6
97.02847	5.9
103.03922	5.5
103.05482	10.8
105.07005	16.8
107.04950	24.4
107.71342	3.3
108.75249	3.6
109.06495	3.3
109.25111	3.5
115.05469	4.5
119.04920	6.3
121.06490	8.7
122.03678	3.6
127.03912	12.7
129.07040	3.8
131.04906	13.5
133.02850	14.3
133.06462	18.5
135.08035	7.7
135.45860	3.9
137.05962	100.0
145.04951	3.7
147.04384	16.4
149.05945	14.3
151.03935	5.4
151.07524	31.3
153.01744	4.6
157.06490	5.9
161.05962	73.2
161.09624	18.3
162.06758	6.9
163.07538	66.6
165.05461	8.3
165.09016	6.4
174.06781	5.8
175.07545	11.8
177.09074	6.1
179.07007	26.3
181.08597	11.0
189.09100	44.7
191.07056	10.5
195.08066	7.6
203.06979	5.7
207.10164	91.8
214.12451	3.5
215.06970	6.0
219.10121	7.8
223.07408	5.2
227.10591	7.0
255.10103	7.4
266.59839	3.7
273.11145	6.5
285.11157	5.9
287.12668	11.0
291.12268	12.3
294.61774	4.1
311.12415	3.7
313.14322	12.2
331.15430	44.1
343.15182	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	557.6017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	20.5
57.07070	40.1
65.03941	2.8
67.05154	2.5
67.05500	41.4
69.07066	37.2
69.44019	21.9
69.44448	4.6
71.08623	36.3
79.05485	10.5
81.07047	81.5
83.08614	29.0
85.10172	15.3
89.05987	2.3
93.07050	2.8
95.08594	100.0
97.10161	31.3
99.11729	2.9
109.10145	58.4
111.11729	16.6
123.11694	24.1
125.13273	9.1
137.13280	11.5
139.14801	3.9
141.09184	2.4
151.14841	4.8
165.16353	4.6
284.26730	3.2
300.28860	2.8
305.31870	4.6
361.38184	3.9
394.06512	2.8
557.52759	21.6
557.60718	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	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01875	3.3
55.05507	19.7
57.03426	8.9
57.07070	5.0
65.03948	2.6
67.05498	41.4
69.07059	19.4
70.39866	6.4
71.05000	2.8
71.08608	2.1
71.45990	1.8
78.73627	1.6
79.05488	37.8
81.03432	5.4
81.07050	50.9
83.04985	6.0
83.08604	12.1
85.06543	3.0
91.05467	36.2
93.07037	34.5
93.07590	2.9
95.04961	10.7
95.08601	33.3
97.06538	4.2
97.10168	5.3
98.21406	2.0
99.08102	1.5
103.05425	1.5
105.07018	37.7
107.04977	5.4
107.08587	21.5
107.09251	1.9
109.06546	5.1
109.10161	10.8
111.08096	2.1
114.78906	1.5
115.05465	3.3
117.07009	22.3
119.08566	27.3
121.06525	3.2
121.10096	12.1
123.08036	3.5
123.11703	2.5
125.09642	3.3
128.06238	4.2
129.06993	18.1
130.07805	2.3
131.04915	1.5
131.08562	32.0
131.09460	2.2
133.06462	1.9
133.10115	18.1
135.08070	2.6
135.11714	7.0
141.06967	7.9
142.07811	4.2
143.08565	26.9
144.09346	1.9
145.06537	2.4
145.10110	26.4
147.08052	2.1
147.11668	17.4
149.09694	2.6
149.13284	5.9
153.06998	2.7
155.08534	20.9
155.09647	1.9
156.09367	3.2
157.10103	23.3
157.11230	1.9
159.08015	2.6
159.11700	18.1
161.09592	2.1
161.13245	8.5
163.11208	2.3
163.14854	1.6
165.07108	1.8
166.07782	2.2
167.08524	9.5
168.09351	3.1
169.10120	26.3
171.08101	3.0
171.11676	23.1
173.09598	2.2
173.13228	12.5
175.11232	3.4
175.14890	4.9
177.12811	2.6
179.08580	4.0
180.15158	1.5
181.10129	14.6
182.10971	3.3
183.11668	16.6
185.09650	2.5
185.13229	16.8
187.11168	2.4
187.14859	5.3
189.12746	3.1
191.10683	1.7
193.10173	4.8
195.11710	11.4
196.12335	2.4
197.13223	17.1
197.14629	1.5
199.14877	8.0
201.16434	2.5
205.12218	1.5
207.11664	3.9
207.13882	4.2
209.13353	10.0
211.14798	7.5
213.16357	10.2
219.11771	2.4
219.17561	3.4
221.13287	3.3
223.14906	8.3
225.16396	3.4
227.18193	2.2
231.17616	2.4
233.13342	2.3
235.14890	3.2
237.16351	3.7
239.17979	3.4
241.19595	5.2
247.14792	2.9
251.17906	2.4
257.19278	2.0
259.20560	11.4
263.17786	1.6
269.18140	1.6
275.20068	1.6
279.15961	4.0
281.17569	5.9
297.22244	2.1
299.24118	1.6
310.68863	1.4
311.20117	1.9
311.23694	2.2
313.21902	2.1
323.23840	5.9
325.21661	2.5
325.25238	1.9
333.24377	3.1
335.23721	2.9
337.25305	1.9
339.23169	2.2
341.24939	1.9
349.25427	2.2
353.24811	3.8
354.82452	1.7
379.26425	1.7
419.33133	5.3
429.31561	6.6
435.33221	1.6
437.34082	13.5
447.32523	27.9
455.35379	2.1
463.13330	1.5
465.33679	32.0
476.30710	1.9
483.34900	16.0
501.36130	2.8
512.84534	1.8
521.36230	9.3
527.37708	2.7
529.38702	7.1
539.37323	100.0
540.37671	2.0
557.38452	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01868	8.4
55.05507	27.8
57.02309	1.2
57.03426	4.5
61.73117	1.1
62.66275	1.0
64.90105	1.2
65.03934	1.5
66.01446	1.1
67.05500	35.5
69.03432	6.7
69.07064	19.0
70.58451	1.1
71.05000	4.1
71.32080	2.3
71.32430	2.2
72.74545	1.3
79.05038	2.1
79.05495	34.9
81.03414	41.0
81.07058	35.0
83.04964	6.6
83.08616	17.2
85.06544	1.5
91.05473	32.0
93.07037	25.0
95.04958	22.7
95.08601	12.3
97.02912	6.4
97.06549	5.1
97.10171	15.8
103.05459	1.8
105.07025	22.7
107.04954	13.1
107.08593	17.5
107.85683	1.3
109.02845	1.7
109.06528	7.6
109.10155	11.0
111.04413	1.4
111.08089	5.0
115.05476	2.0
117.07030	10.4
119.04951	1.5
119.08574	19.9
121.06487	7.5
121.10136	7.8
123.08065	5.1
123.11686	1.9
125.09626	12.2
128.06239	2.6
129.07007	11.1
130.07816	1.7
131.04938	2.0
131.08556	20.1
133.06500	5.4
133.10130	12.0
133.86327	1.3
135.08054	5.6
135.11705	3.5
137.09625	3.8
139.07523	1.2
141.06976	3.1
142.07796	3.1
143.08611	7.0
145.06497	4.3
145.10112	10.6
147.08034	6.0
147.11681	7.4
149.09589	4.4
149.13255	1.3
151.11211	3.4
152.72321	1.2
153.09039	2.9
155.08522	2.4
157.10112	8.8
159.08078	4.9
159.11678	3.9
161.09624	3.5
163.11198	3.0
165.12787	1.5
167.08546	1.4
169.10115	4.3
171.08073	2.4
171.11707	3.8
173.09702	3.3
173.11806	1.7
173.13271	2.7
175.11211	8.4
177.11267	1.3
177.12781	3.8
181.10097	2.0
182.03383	1.4
183.08101	1.9
183.11807	2.3
185.09631	2.9
185.13268	3.0
187.11218	2.3
189.11240	5.6
189.12752	1.7
191.14371	1.5
193.12227	9.8
201.12669	1.8
205.12267	2.0
209.13333	1.5
211.11186	1.5
215.45024	1.3
219.13748	11.1
223.13266	11.4
227.12703	6.8
227.17996	1.7
245.19035	1.7
249.14891	2.8
253.14383	4.0
265.88669	1.4
267.15982	2.1
273.18552	13.1
275.20126	3.5
287.19958	3.0
289.18048	2.1
291.19528	47.5
297.18408	1.6
313.21524	9.9
315.19382	1.9
358.16211	1.7
365.23547	1.3
371.22263	2.1
445.25732	4.9
447.29233	2.4
465.30057	8.6
469.25613	1.7
483.31046	6.1
539.33734	21.7
557.34723	100.0
558.35193	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	557.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.6
55.01870	0.4
65.03924	1.2
65.04201	0.2
67.05468	0.4
67.41351	0.2
68.99773	1.0
69.03409	0.3
69.07043	0.6
71.16527	0.4
79.05486	0.8
81.03416	0.2
81.07011	0.4
83.04961	0.6
91.05462	0.7
93.03375	0.3
93.07027	0.5
95.04967	0.4
95.08580	0.3
97.02876	0.3
97.06519	1.0
97.80073	0.2
99.04429	0.4
105.07035	1.0
107.04953	0.5
107.08566	0.6
109.06508	0.3
111.00792	0.9
111.04440	1.7
119.08573	0.2
121.02858	1.4
121.06480	0.8
123.04414	2.9
125.05983	0.6
125.08585	0.2
127.03918	0.4
129.07033	0.2
131.08549	0.4
133.02878	0.2
133.06468	0.2
135.04366	0.4
139.03883	100.0
140.04205	1.4
143.07047	0.6
145.10109	2.0
147.11658	0.3
149.05919	0.9
151.02667	0.3
151.03888	6.6
158.07227	0.4
159.04424	0.4
159.07967	0.4
159.11673	0.4
161.05936	0.3
163.03893	6.2
163.11185	1.8
169.10143	0.2
173.09644	1.3
177.05525	0.3
179.03418	0.3
179.06995	0.9
181.04909	0.3
187.03891	0.2
187.11102	1.2
191.03529	0.3
191.10594	0.5
197.05954	0.2
197.09608	0.3
203.06874	0.2
205.04916	3.8
205.12265	0.5
209.11513	0.2
215.07097	0.2
215.10603	1.0
229.04945	0.4
233.11630	1.0
247.05962	0.6
251.12872	0.2
260.58548	0.2
260.85977	0.2
271.05960	0.7
289.07031	14.1
290.07275	0.5
295.47949	0.2
422.91824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
53.00291	1.6
55.01867	1.6
55.05490	2.2
65.03928	1.9
67.05493	0.9
68.99763	0.6
69.75507	4.7
79.01853	5.7
79.05463	1.5
81.07023	0.9
84.57124	0.6
84.58437	0.7
89.03895	1.8
91.05493	1.1
95.04974	3.2
97.02870	1.5
97.06528	1.4
98.21501	0.7
107.01292	1.4
107.04939	2.4
108.61696	0.6
109.02856	1.5
109.06522	0.7
111.00806	0.9
111.04414	0.6
121.02863	1.4
121.06469	0.9
123.04409	2.7
125.02352	4.8
127.03882	3.1
131.04880	1.1
133.02892	1.5
135.04385	3.8
135.07997	1.2
139.03893	100.0
140.04243	0.9
141.05455	1.1
143.03392	9.0
145.02869	1.3
145.06456	1.0
147.04358	2.0
149.05972	5.9
151.03899	24.8
153.01822	84.1
153.02896	4.7
155.56142	0.6
157.43230	0.6
159.04417	2.1
161.05983	2.3
163.03899	47.9
164.04337	0.6
165.05498	3.6
165.09073	0.6
167.07106	0.7
169.05014	2.6
175.03885	2.9
176.04680	2.7
177.05457	9.0
177.09041	0.8
179.03397	1.6
179.07028	2.0
181.04987	11.4
181.06528	0.9
181.08504	4.8
187.07587	1.1
189.05457	18.3
191.07024	2.3
193.04976	0.8
193.06783	1.2
193.08586	26.3
195.06551	1.6
200.63879	0.7
201.88760	0.7
203.07053	1.2
205.04961	26.9
205.08568	12.9
207.06526	1.0
207.10170	1.9
213.05518	1.0
217.08681	1.4
219.06741	0.9
219.10164	11.8
221.08054	0.8
223.06010	1.2
225.11230	4.3
229.04941	1.4
229.08612	3.0
231.06601	1.0
231.10162	10.5
237.11238	8.1
247.06087	1.1
249.03931	1.1
249.11314	3.1
255.06619	0.8
259.06024	2.3
265.05020	0.9
271.06100	1.3
283.06079	2.2
284.96576	0.6
289.07022	5.6
289.09674	0.6
301.07059	13.4
319.08298	1.0
323.13309	0.6
325.10858	2.0
327.08713	2.9
327.12234	1.1
343.11765	38.1
345.09839	1.9
361.12836	3.2
369.13306	9.2
387.14368	22.6
405.15408	7.1
557.16742	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	557.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.5
53.72543	0.4
55.01857	1.8
55.05510	2.0
57.03429	1.1
62.02605	0.4
65.03940	2.1
67.05489	1.4
68.99779	1.5
69.03416	0.8
70.06599	0.4
71.70363	0.5
71.70790	0.5
79.01849	4.1
79.05480	1.4
81.03419	0.5
81.07034	1.3
83.01337	0.4
89.03899	1.3
91.05461	1.0
93.03371	0.6
93.07039	1.2
95.04950	3.5
95.08597	0.7
97.02894	1.2
97.06533	1.8
103.05470	0.8
105.07021	0.8
107.01288	0.8
107.04948	1.6
107.08568	0.4
109.02848	1.5
109.06531	0.8
109.31608	0.4
111.00764	1.2
111.04440	1.0
115.05412	0.8
117.03383	1.1
121.02870	2.2
121.06471	1.3
123.04440	3.2
125.02341	3.0
127.03928	2.7
131.04942	2.0
133.02841	1.0
133.06477	1.0
135.04414	3.4
137.05956	1.3
138.45212	0.5
139.03886	100.0
140.04214	1.1
141.05453	1.3
143.03392	5.4
145.02817	2.1
147.04355	2.9
149.05965	8.9
151.03891	18.2
153.01820	47.7
153.02922	2.9
159.04405	2.6
161.05977	1.6
163.03888	55.7
164.04314	0.7
165.05463	4.7
165.09097	0.6
167.06996	0.6
169.04955	1.4
173.05983	0.7
175.03923	3.1
176.04660	2.0
177.05473	7.0
179.03429	1.2
179.06979	3.2
181.04955	7.4
181.06499	0.8
181.08557	4.1
185.05977	1.0
187.03896	0.7
189.05452	15.4
191.06993	2.8
193.04863	0.9
193.08597	16.4
195.06544	0.8
197.05923	1.2
199.07520	0.6
200.04628	0.5
201.05582	0.9
203.07016	1.1
205.04950	49.9
205.08498	8.2
207.06520	0.8
207.10123	1.2
213.05504	1.3
217.08656	1.3
219.06621	0.6
219.10146	11.7
221.08051	0.6
225.11140	3.9
227.06996	0.8
229.04999	3.1
229.08569	4.4
231.06641	0.6
231.10118	12.7
237.11186	6.9
241.04977	0.6
245.08156	0.6
247.06018	1.5
249.03993	1.0
249.11240	2.5
255.06512	1.7
259.05936	4.4
265.04849	0.9
271.05978	1.7
273.07547	1.3
283.06058	3.0
289.07031	8.6
301.07022	16.5
319.08047	0.5
325.10587	3.8
327.08722	2.9
343.11737	41.7
344.11804	0.7
345.09644	0.7
351.12558	0.5
361.12674	2.2
366.25070	0.5
369.13306	12.3
387.14355	17.4
388.14893	0.5
395.24149	0.7
405.15485	3.1
557.29401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
58.99884	0.7
59.55058	0.6
67.46474	0.5
69.03446	0.6
71.68458	0.7
71.68871	0.7
77.19422	0.5
81.03452	0.5
82.99908	1.5
85.78423	0.5
97.02875	0.6
101.00869	8.7
109.01417	0.9
109.02899	1.5
113.00896	2.0
115.02455	0.7
119.01913	26.4
122.01424	1.2
127.02393	4.0
129.03986	1.1
130.19757	0.6
131.01894	14.2
133.03473	1.0
137.01909	1.9
137.02988	3.4
137.52036	0.7
139.02399	0.6
141.03998	1.3
142.03513	1.6
143.01884	18.5
145.03459	21.9
146.02377	0.5
146.03571	0.6
147.01437	0.9
147.05040	1.2
149.01950	0.8
149.02992	1.8
152.02409	1.5
153.03967	1.5
155.01872	14.0
155.03017	1.0
157.03487	7.6
158.02437	0.6
159.05006	4.3
161.02942	27.3
162.03076	0.7
163.04526	4.6
167.01860	7.2
167.03043	0.7
168.05203	0.7
169.03450	26.1
170.03644	0.8
171.01390	2.1
171.05017	11.3
173.02946	22.4
173.53073	0.7
174.03018	1.2
175.04535	2.7
177.02443	0.7
179.01799	3.6
181.03465	2.2
183.05032	1.0
184.04521	1.2
185.02943	39.1
186.03194	1.6
187.04507	35.1
189.02385	2.5
189.06096	1.7
191.03964	0.9
193.03508	1.0
195.05046	1.1
196.04565	0.9
197.02933	21.6
198.03134	0.6
199.04507	6.1
201.02475	0.9
201.06078	0.7
203.03978	19.6
203.54045	1.4
208.04518	0.8
209.02834	2.6
210.06104	1.1
211.04488	4.9
212.04494	0.6
213.02411	3.7
213.06110	0.8
215.00659	0.8
215.03996	21.1
216.04149	1.4
217.05603	0.7
221.03072	0.8
221.04939	3.1
223.04512	1.4
224.04530	1.8
225.02469	1.4
227.03984	9.1
229.05550	1.8
231.03485	6.4
233.05045	2.1
235.04480	1.2
238.05603	1.0
239.03992	1.5
241.05571	1.0
243.03459	1.5
245.05051	96.5
246.05322	3.7
254.05653	0.9
255.03534	0.8
257.01440	1.4
257.05057	6.3
259.06592	0.7
263.06104	13.5
268.98141	0.7
271.06583	4.2
273.04553	1.1
275.02527	13.1
275.06070	100.0
276.06293	3.9
284.06598	3.5
284.56653	1.3
286.07645	0.7
287.02423	5.0
287.06073	9.4
289.07608	0.7
293.03522	4.1
293.07098	11.6
299.06082	1.0
305.03497	5.1
305.07080	19.5
306.07104	0.7
315.05536	1.4
316.05249	0.7
316.08569	2.0
317.03717	1.0
317.07104	4.2
323.08395	0.7
329.07108	0.7
335.04431	5.3
335.08136	12.5
337.09494	0.7
341.03439	1.5
347.08032	1.7
359.04425	6.0
359.08298	1.0
365.04294	0.8
365.09229	13.3
365.59277	0.8
377.05301	10.2
377.09851	3.8
383.10269	0.8
395.06552	13.9
395.11221	1.0
473.88245	0.5
521.93073	0.6
539.10608	1.7
557.11218	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	557.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22911	1.7
70.54292	6.5
75.43796	1.5
82.99847	2.6
101.00857	16.1
103.35075	1.6
113.00877	4.8
119.01909	46.0
120.21452	1.7
127.02406	6.7
131.01895	19.6
133.03465	2.0
137.02936	6.2
139.20000	1.7
141.03940	3.1
143.01866	25.1
145.03452	51.1
147.01382	2.8
147.04915	2.1
149.02913	4.4
155.01860	15.9
157.03447	10.4
159.05023	15.8
161.02940	38.7
163.04518	11.7
167.01891	8.9
169.03441	40.0
171.04982	13.4
173.02933	33.9
175.04503	2.4
179.01843	3.2
181.03452	8.0
183.04944	3.1
184.23041	1.7
185.02934	55.9
187.04503	69.5
189.02425	12.0
189.06053	3.3
191.03926	2.3
197.02948	20.4
199.04497	13.4
201.06088	2.2
203.03966	21.7
207.03381	1.8
209.03015	3.1
210.06033	1.9
211.04517	7.2
213.02396	12.0
213.06039	3.9
215.03970	17.2
217.05418	1.8
221.03062	2.8
221.05093	7.7
223.04555	3.7
225.02475	3.6
227.03944	11.1
229.05592	5.0
231.03470	20.7
233.01456	2.1
233.04991	1.7
235.04425	1.9
239.03920	2.2
243.03442	3.9
245.05051	100.0
246.05339	2.2
255.03546	2.2
257.01425	4.7
257.04984	5.1
263.06061	12.2
271.06628	13.4
273.04520	3.0
275.02481	42.1
275.06082	58.1
276.02502	2.8
287.02441	15.9
287.06107	5.9
289.07697	2.9
293.03488	17.0
293.07126	7.9
305.03491	14.2
305.07123	15.3
315.05414	4.2
317.03522	3.3
333.06741	2.4
335.04547	17.4
335.08212	6.6
341.03412	3.3
359.04443	15.2
365.09232	8.6
377.05551	41.7
395.06653	47.3
396.07040	1.9
539.10657	7.0
557.11829	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	556.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03945	0.9
57.03433	0.9
58.99066	0.3
62.73716	0.3
69.03424	3.8
69.52334	3.0
70.06590	0.5
74.39835	0.3
79.05481	1.0
81.03411	0.4
85.02896	2.5
87.04488	2.0
91.05454	0.5
95.04961	1.1
97.02888	3.1
107.04948	100.0
108.05292	0.5
115.03917	4.1
123.04428	0.4
127.03845	0.6
133.04970	3.1
135.73660	0.3
139.03896	4.4
149.06000	0.4
150.07602	1.0
163.03937	0.7
245.08159	1.1
289.07004	0.5
312.80743	0.3
314.78259	0.4
327.72296	0.4
346.40262	0.3
388.80603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.4
59.04984	3.8
67.05498	21.3
69.07066	22.9
70.20564	16.7
77.28544	3.4
78.86942	3.6
79.05495	16.5
81.07059	51.6
83.08608	6.0
83.86834	3.4
89.06017	11.2
91.05463	25.2
93.07038	33.9
95.08600	61.6
97.10178	4.0
98.13680	3.2
104.10735	33.8
104.56455	3.7
105.07026	61.5
107.08595	46.1
109.10156	57.6
118.99396	3.5
119.08568	84.9
120.52932	3.6
121.10138	27.9
123.11694	15.4
133.08562	10.8
133.10136	44.2
135.04388	13.3
135.11685	10.6
147.11681	49.1
149.05928	4.3
149.13158	4.4
153.05312	3.2
161.13263	25.1
163.03908	26.7
163.14801	9.1
175.07504	10.1
175.14835	23.3
177.05469	6.7
189.09052	5.6
195.06474	17.1
203.17949	100.0
209.08072	3.8
221.19017	12.3
229.08571	3.8
235.09541	4.7
238.21591	4.3
257.15344	7.6
259.16876	14.3
283.26288	5.9
285.14780	7.3
300.28815	6.0
337.21524	5.4
365.20938	20.6
397.23737	21.3
521.36377	20.6
556.52606	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	555.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
55.01866	26.3
55.05511	26.2
55.71567	1.7
57.03436	2.7
57.07081	1.9
65.03936	5.9
67.05502	76.4
67.18289	1.8
69.03422	2.5
69.07063	38.7
71.04979	3.1
71.72498	2.1
72.17916	1.9
77.03941	2.0
79.05489	75.2
81.03416	12.7
81.07050	71.4
83.04973	17.2
83.08614	11.6
85.06526	3.0
91.05474	92.0
93.07039	68.3
95.01316	12.6
95.04958	26.9
95.08601	45.2
95.09202	2.0
97.06528	55.0
97.10169	5.3
103.05453	4.3
105.04537	2.5
105.07022	90.2
105.07738	4.3
106.07433	1.6
107.04953	28.0
107.08593	26.6
109.06508	8.2
109.10165	12.0
111.08071	3.9
115.05418	3.3
117.07011	20.3
118.45750	1.6
119.08566	50.3
121.06496	8.0
121.10156	11.9
123.04403	3.3
123.08062	8.9
125.09640	4.2
128.06219	3.1
129.06987	16.9
131.04932	3.6
131.08546	27.9
133.06494	3.2
133.10126	44.9
135.08055	4.7
135.11673	10.7
137.09630	4.1
141.07031	3.1
142.50648	1.8
143.08572	12.1
145.06471	3.2
145.10112	30.5
147.08020	3.8
147.11674	37.6
149.09642	8.0
149.13255	4.2
151.11186	3.0
155.08546	5.1
157.10124	6.9
159.11691	19.7
161.09746	1.8
161.13297	13.9
163.11163	10.0
165.09111	4.1
165.12746	1.8
169.10086	4.9
171.11656	19.8
173.13266	5.1
173.97270	1.6
177.12717	5.5
179.14316	21.3
181.10065	2.3
183.11670	6.8
187.11215	5.1
187.14847	3.1
189.12711	6.7
197.13231	3.5
200.32437	1.8
205.12193	3.3
207.12074	2.3
207.13734	11.3
213.16667	2.4
225.14894	2.4
239.17827	3.1
241.14337	2.5
247.20726	4.0
257.18982	9.2
259.20645	4.4
275.20032	100.0
279.15912	9.1
280.98438	1.9
281.17093	1.9
290.56528	2.0
293.21094	8.4
331.22733	2.6
341.10309	2.1
349.23581	2.4
463.32080	3.9
537.35712	3.7
555.36835	56.1
556.37244	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	555.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03941	8.2
54.52161	1.1
55.01865	28.0
55.05506	22.0
57.03430	2.0
57.07064	2.7
59.04994	1.4
65.03925	5.3
67.05499	69.2
69.03403	3.0
69.07063	38.0
69.51735	3.6
69.52161	8.5
71.04990	3.4
73.06561	1.4
77.03911	1.7
79.05487	69.2
81.03409	13.4
81.07049	63.4
83.04974	15.0
83.08605	11.4
85.06522	3.2
86.40316	1.0
91.05472	89.8
93.07037	59.5
95.01325	10.4
95.04961	26.0
95.08594	41.1
97.06522	54.2
97.10155	4.9
98.98466	1.1
103.05429	2.6
105.04545	1.5
105.07018	86.4
107.04941	26.1
107.08582	23.4
109.06511	8.7
109.10152	10.3
111.08066	4.7
113.09654	1.9
115.05452	3.1
115.75275	1.2
117.07008	17.9
119.08570	43.1
119.09422	2.3
121.06519	5.3
121.10126	9.8
123.04433	3.2
123.08073	6.6
123.11704	2.9
128.06219	3.2
129.06978	10.9
131.08556	23.2
133.06529	3.3
133.10115	38.1
135.08070	3.6
135.11684	5.9
136.08707	1.2
137.09605	2.2
139.07533	4.1
141.06958	3.1
142.07764	1.5
143.08554	9.2
145.06502	2.8
145.10115	19.9
147.08044	2.1
147.11670	27.8
149.09578	8.7
149.13255	3.7
151.11160	1.6
155.08543	2.5
157.10117	5.2
159.08073	1.6
159.11693	12.4
161.09616	2.1
161.13261	11.4
163.11159	5.2
165.09135	4.2
169.10127	1.7
171.06528	1.8
171.11685	14.7
173.13191	4.1
173.71432	1.1
175.14912	1.2
177.12755	4.5
179.14293	19.9
183.11690	3.0
185.13295	1.4
186.97032	1.1
187.11211	5.0
187.14819	1.7
189.12785	5.8
195.13766	1.4
197.13249	3.2
205.12323	2.5
207.13768	9.4
209.13275	1.5
229.19513	3.1
239.18036	2.9
241.14275	1.5
247.20547	5.5
257.11697	1.3
257.19019	9.3
259.20584	3.4
275.20038	100.0
276.20419	1.4
279.15958	9.3
281.17545	2.1
293.21155	6.8
299.12704	1.8
324.80008	1.2
349.23843	4.6
350.96973	1.2
403.93680	1.2
412.99222	1.2
415.23157	1.4
537.35883	3.6
555.36761	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	555.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03480	0.5
59.38531	0.7
61.37654	0.6
67.01852	2.1
67.05490	2.6
68.99791	2.3
69.03411	1.7
69.07050	0.9
70.77986	2.1
75.93193	0.6
79.05480	2.0
81.03416	0.7
81.06623	0.9
81.07054	10.0
83.01334	7.0
83.04960	1.9
91.05482	8.6
93.07005	1.6
95.04943	1.1
95.08605	1.5
97.02893	1.0
97.06500	1.2
103.05461	4.6
105.03376	1.1
105.07014	1.8
107.08553	0.9
109.06514	3.4
109.10170	0.7
111.08060	0.6
115.05447	3.3
117.07013	1.3
119.08560	1.5
125.05970	2.9
127.07549	7.2
128.56053	0.6
129.07002	1.0
131.04906	13.6
131.05783	1.2
136.15549	0.8
145.10130	0.7
146.03149	0.7
147.11699	0.8
149.05972	1.8
151.03810	0.7
151.07512	0.8
152.04695	1.6
153.01819	100.0
153.80420	0.7
154.02167	0.8
167.07028	1.5
169.08609	2.9
171.02856	4.7
177.05460	2.7
178.07803	0.9
191.08556	5.8
193.10121	3.1
195.06523	37.5
213.07574	14.8
215.06963	3.5
219.08034	17.1
235.11235	1.0
255.06601	2.0
257.08124	13.1
261.09186	2.4
299.12769	34.6
301.14395	2.4
387.16165	8.1
401.45444	0.6
411.16064	1.4
429.16885	8.2
480.28476	0.8
537.19202	1.6
555.20367	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	555.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11226	0.7
55.01859	2.8
65.03935	1.3
67.01883	1.0
69.03402	1.8
71.01360	0.8
71.62860	1.5
72.52765	0.7
79.01852	8.0
79.05471	1.1
81.03408	4.7
83.01348	0.8
85.02900	5.5
91.05475	46.3
95.01326	0.9
95.04935	1.9
97.02882	3.0
97.06516	1.7
103.03933	1.2
103.05460	23.6
105.03395	6.5
105.07023	1.9
107.01330	2.0
107.04943	2.5
109.02882	4.9
111.20341	0.9
115.05450	5.3
117.07019	2.6
117.50762	1.0
119.04910	1.8
121.02872	1.9
121.06501	2.3
123.04424	2.7
125.02328	5.4
127.03934	1.5
128.06206	1.1
129.06976	3.4
131.03966	1.6
131.04916	24.0
133.02841	1.7
133.06465	1.0
135.04398	13.4
137.05989	1.5
139.03896	10.6
141.07010	5.1
141.91924	0.7
143.03401	10.0
143.08562	1.2
145.06493	4.9
147.04385	11.1
149.02322	1.0
149.05978	6.3
151.03893	2.5
152.06210	1.2
153.01820	100.0
153.02884	5.2
153.06950	2.0
155.04872	0.9
157.06494	2.8
159.04413	20.3
159.08069	0.8
161.05981	7.2
163.03902	32.1
165.05626	1.3
165.07007	4.7
166.07805	5.6
167.07149	1.5
167.08568	3.2
169.06509	2.5
171.04364	1.2
173.05975	9.1
175.03896	10.5
175.07494	5.2
177.05452	11.8
178.07788	2.8
179.08528	6.2
181.04967	1.6
181.06444	2.3
181.10149	3.3
183.04434	1.4
183.08025	1.7
185.05986	2.1
187.03883	15.6
187.05478	1.3
187.07536	2.3
189.05432	2.2
189.06981	0.8
190.07805	3.1
191.06949	0.8
191.08556	10.0
194.07298	2.0
195.08156	1.3
197.05966	7.5
197.09666	1.0
199.07521	2.1
200.04742	1.5
201.05453	17.6
202.07744	0.8
203.08609	1.3
204.09390	1.7
205.04951	44.0
205.10146	2.3
207.08072	4.3
209.05846	1.2
209.09596	8.0
210.06747	1.5
211.07524	3.0
213.05420	1.4
213.09111	1.8
215.07010	3.3
217.04900	1.2
217.35553	0.8
218.07257	1.1
219.08070	4.0
223.07541	2.5
223.11174	1.6
225.05440	6.5
225.09033	4.4
228.09375	1.1
229.04945	7.5
229.10068	1.7
232.08916	1.3
233.09633	1.8
235.07539	6.2
235.09538	1.1
236.08197	1.1
237.09061	8.2
237.12688	0.9
241.08592	33.4
242.08978	0.8
243.06485	3.5
247.07582	7.1
247.11348	1.9
249.09050	1.9
251.07254	0.7
251.08203	0.8
251.10614	5.1
253.05011	1.7
253.08591	42.9
255.04977	1.3
255.10167	2.3
256.21277	0.7
257.09537	1.3
260.08426	1.6
261.09119	3.2
263.07022	1.5
264.07904	1.0
265.08600	19.0
265.11957	1.5
267.06525	1.3
267.10138	1.1
271.06091	2.8
275.10706	4.2
277.08594	5.9
279.10168	13.5
281.08157	1.6
283.09641	95.1
284.10178	1.0
285.09244	1.2
289.08615	1.5
291.06537	1.6
293.11740	3.8
297.06027	2.4
303.10181	10.3
307.09634	49.3
308.10184	1.5
309.07672	1.0
319.09598	1.5
321.11102	2.0
331.09653	19.8
337.10776	3.2
349.10684	90.8
350.10913	1.0
367.11731	15.0
385.12778	9.2
403.13943	6.1
519.12695	7.7
537.13916	12.0
555.14917	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	554.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.2
57.03439	3.2
57.61096	1.4
67.05158	1.8
67.05499	27.0
69.07065	6.2
69.45586	13.5
74.29448	1.2
75.23565	1.4
75.49072	1.2
78.05665	1.2
79.05482	13.4
81.07047	26.6
83.08606	5.7
85.06536	1.3
89.03896	3.8
91.05479	8.2
93.07036	15.0
95.08606	19.7
95.63982	1.3
97.06549	2.3
97.10173	2.7
105.06995	3.6
105.89092	1.5
107.08578	9.7
108.21893	1.3
109.10149	11.2
111.08068	3.2
117.03363	15.4
119.08577	4.0
121.10122	13.8
123.11691	4.1
125.09618	1.6
131.04970	1.2
131.08543	4.3
133.10112	8.1
135.11679	9.3
145.01717	3.0
145.02840	44.6
145.10072	2.5
147.11667	3.1
149.05977	5.5
151.11140	2.1
159.11613	2.1
177.05453	100.0
186.05539	1.9
195.06505	7.9
211.37367	1.3
215.17973	6.4
227.72548	1.3
233.18980	9.4
235.20509	3.2
251.09015	2.1
251.19984	7.9
265.59167	1.5
281.95206	1.2
289.21756	2.3
307.22629	3.9
325.23727	44.3
438.18076	1.4
519.29810	8.7
554.31274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.03459	0.8
55.01859	0.8
55.04255	0.7
68.99780	1.7
70.06584	100.0
71.06918	0.7
71.70349	1.0
79.05478	1.0
81.03410	0.7
81.07072	1.1
91.05488	1.6
93.06999	0.9
95.01364	0.5
95.04974	0.9
103.05436	1.5
107.04926	2.2
121.06516	3.6
131.04962	1.1
133.06456	1.0
135.04395	4.1
139.03885	11.4
143.03386	1.2
149.05969	7.2
151.03891	0.6
153.01816	12.9
153.02869	0.5
154.23477	0.6
159.04413	1.2
161.05957	1.8
161.46065	0.5
163.03880	6.1
165.05452	1.4
175.07538	0.7
177.05453	73.5
178.05835	0.9
181.04951	2.2
181.22231	0.4
188.07112	0.5
189.05457	2.5
190.29913	0.5
201.05461	0.6
205.04980	1.7
211.07465	0.6
224.94804	1.1
228.97908	0.6
234.11110	2.6
242.95879	1.2
299.71878	0.5
309.07639	0.7
327.08588	5.2
341.98196	0.6
342.99167	0.6
344.96829	2.7
345.09604	2.7
368.96649	1.3
384.14365	1.3
494.99503	0.7
497.10757	7.4
513.01288	0.9
554.16498	43.3
555.17157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
61.02937	1.7
61.42549	0.8
69.03428	2.3
70.06570	1.8
71.05010	0.9
71.53635	0.9
71.70101	1.1
81.03392	2.2
85.02906	10.0
91.05488	2.2
91.80459	1.1
94.04210	1.4
97.02862	2.0
99.41762	0.9
101.51729	0.9
103.05455	1.0
109.02816	1.0
111.04432	2.0
115.05460	1.3
116.05232	1.0
119.04922	1.2
121.06497	1.6
122.03661	1.6
127.03944	1.3
131.04858	2.0
137.05969	25.5
139.03987	1.4
143.04930	1.4
145.04958	2.0
149.05966	3.6
151.03951	1.1
151.07538	2.0
153.01834	5.0
153.05438	3.6
161.05965	21.6
163.07564	3.1
165.07037	3.4
168.72615	0.9
175.07552	7.1
177.05452	1.5
179.07034	3.5
179.08578	2.6
182.07251	1.3
183.08034	1.0
188.04691	3.5
191.07027	4.4
193.06532	5.7
193.08157	1.0
195.07986	1.0
197.09624	1.6
203.07014	12.9
205.08659	1.9
207.08125	2.0
210.06773	5.5
211.07497	1.1
221.06010	12.9
221.07935	2.1
224.08287	1.4
225.05518	1.2
225.09097	17.8
227.07120	1.6
234.06625	1.0
235.07561	2.6
235.09665	3.6
238.06287	4.0
239.10770	3.1
249.09004	2.2
251.07104	1.8
252.07918	2.4
253.08600	33.7
254.09198	1.2
255.06505	2.5
265.08569	2.3
266.09415	1.5
267.10132	10.5
270.08853	4.3
277.08673	5.2
285.11206	89.5
294.08862	3.0
295.09711	6.1
297.11261	5.1
309.11154	11.8
312.09995	1.3
313.10678	1.5
327.12259	100.0
328.12717	2.4
339.12494	1.3
341.10184	1.4
341.13965	1.1
345.13324	99.9
346.13705	1.1
357.13452	5.2
497.29510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.0
57.03439	2.4
65.03931	2.7
67.05498	14.2
69.07059	6.3
71.04991	2.7
71.72495	2.1
71.72861	2.4
79.05470	10.4
81.03410	3.2
81.07040	16.2
83.04948	2.2
91.05471	73.6
93.07024	14.5
95.04957	2.6
95.08582	12.6
97.06498	2.7
103.05473	15.7
105.03392	2.7
105.07011	20.5
107.08574	12.0
109.10149	16.0
111.08097	2.5
115.05452	2.4
117.07015	14.8
119.08574	18.3
121.10121	5.5
123.11711	4.0
128.06242	4.2
129.06982	12.7
131.04927	52.4
131.05905	3.5
131.08534	16.5
132.07770	2.1
133.10109	7.8
135.11664	5.1
139.07542	15.5
141.06960	5.5
142.07809	1.7
143.08537	11.6
145.10106	12.5
147.11682	10.0
149.13214	2.4
155.08560	5.4
157.10132	10.3
159.11673	10.7
161.13220	7.5
167.07042	35.1
167.08406	3.5
169.10101	9.9
171.11646	4.4
173.09552	2.2
173.13239	3.3
176.80681	2.0
179.08549	2.0
181.10216	3.4
183.11662	6.3
185.08083	37.0
185.09705	2.7
185.13100	2.1
187.14819	2.2
193.10149	4.5
195.11610	4.5
197.13258	3.5
199.14864	4.6
201.16382	17.4
203.17953	3.1
205.10144	3.7
207.11639	3.7
209.13188	2.5
217.10025	1.9
219.11693	3.4
219.17400	11.2
221.13322	2.8
223.14711	2.1
223.88678	1.9
225.46593	2.0
231.11528	1.9
233.13300	6.3
235.14835	3.5
241.15901	2.1
245.13475	2.7
249.16728	2.0
263.17975	2.6
273.16275	2.2
275.17941	17.9
293.18976	2.9
305.22644	26.6
315.12256	5.2
315.21011	6.2
333.22131	28.4
351.23157	100.0
351.27505	4.8
412.60950	1.9
553.30096	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	553.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.5
55.22525	4.0
55.96043	3.4
67.05504	24.2
69.07070	7.1
69.56151	25.8
69.56581	7.0
79.05501	8.6
81.03442	3.7
81.07065	30.3
83.08598	4.8
91.05479	61.3
93.07034	18.8
95.08589	17.7
100.25566	3.0
103.05461	27.6
105.07022	25.4
107.04977	3.8
107.08582	24.4
109.10148	15.7
117.07013	14.2
119.08549	19.6
121.06469	4.1
121.10151	14.4
123.11703	9.0
129.06970	11.1
131.04916	100.0
131.05885	5.2
131.08548	16.4
133.10127	10.1
135.11696	13.8
139.07539	19.9
141.06892	5.5
143.08568	10.9
145.10094	24.6
147.11684	11.1
149.13281	7.0
155.08545	10.3
157.10156	15.4
159.08102	3.8
159.11690	26.9
161.13235	10.7
167.07066	47.1
167.08429	6.7
169.10069	6.3
171.11667	3.7
173.13260	6.2
177.53708	3.6
179.03307	4.3
181.04971	5.7
181.10197	10.3
183.06554	16.0
183.92163	3.7
185.08113	40.4
185.09605	6.4
187.14749	4.2
195.11690	7.2
197.13254	4.9
199.11322	5.3
199.14864	9.9
201.16339	40.9
203.17972	7.0
235.14711	5.5
253.50418	3.7
269.11694	6.8
305.22653	44.6
315.12271	8.5
315.21002	5.3
330.12100	3.9
333.22119	53.1
351.23102	12.1
408.61682	4.1
434.34396	3.7
518.39105	4.5
553.31036	5.6
553.82886	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	553.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.3
55.05506	0.8
63.30643	0.3
65.03930	1.9
67.05505	0.5
68.99776	1.0
69.03420	0.7
69.07067	0.4
71.23649	0.5
71.23978	0.4
75.14558	0.3
76.02145	0.3
79.05475	1.1
81.03403	0.4
81.07051	0.6
83.04973	2.1
83.08609	0.3
84.08131	0.3
85.02893	0.6
91.05466	1.1
93.03386	0.4
93.07033	1.2
95.04950	1.2
95.08600	0.5
97.02886	0.5
97.06503	0.4
105.07011	1.2
107.08582	2.8
109.06515	0.8
109.10138	0.4
111.00800	1.0
111.04452	1.4
111.08077	0.8
115.05447	0.4
117.07007	0.7
119.08537	1.7
121.02863	1.7
121.06479	1.7
121.10098	0.7
121.89914	0.3
123.04424	3.8
123.08086	0.5
125.09652	0.7
127.03892	0.6
131.04895	0.5
131.08528	0.6
132.20056	0.3
133.10098	0.5
135.04411	0.5
135.08051	5.2
135.11647	0.3
137.05965	1.2
139.03891	100.0
140.04253	0.9
145.06514	0.8
145.10152	0.6
147.08020	0.4
149.05965	1.1
151.03899	10.3
151.07513	0.5
153.09074	0.9
159.08040	0.3
159.11740	0.7
161.05983	0.4
161.09618	0.5
163.03896	6.6
163.07562	2.3
163.11119	0.5
167.07024	1.2
172.08870	0.3
173.13237	0.9
177.05466	0.7
177.08890	0.3
179.06987	1.3
179.44539	0.3
181.08589	1.0
186.10364	0.4
187.03821	0.3
187.11227	1.0
191.06932	0.5
201.12746	0.9
203.14301	0.4
205.04970	6.4
205.12207	1.2
209.08015	2.6
219.13834	1.5
225.72733	0.3
229.05025	0.8
229.12158	0.9
246.89540	0.3
247.05981	2.2
247.13245	1.8
265.14322	4.9
271.06055	0.7
289.07037	12.1
332.10388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71385	1.2
51.82781	1.0
53.03937	3.0
55.01865	2.6
55.05503	16.5
57.03434	8.0
57.07071	40.2
60.54859	1.1
65.03913	1.6
67.05142	1.7
67.05499	29.9
69.03426	2.9
69.07060	13.3
70.38892	4.3
71.04972	3.7
71.08624	29.0
76.44135	0.9
79.05481	16.8
81.03411	44.9
81.03889	2.4
81.07048	34.1
83.04977	7.3
83.08611	26.8
85.02898	23.9
85.06514	1.8
85.10176	14.2
91.05466	20.4
93.07037	11.3
95.04961	16.3
95.08595	29.2
97.02882	1.6
97.06516	2.6
97.10155	10.1
98.20794	1.4
105.07011	15.2
106.47017	0.9
107.04969	3.3
107.08598	4.9
109.06514	4.3
109.10133	11.9
111.04432	1.6
111.08070	5.8
111.11701	3.4
113.06003	2.5
114.40504	0.9
115.05444	1.3
117.07004	1.0
119.08562	14.2
121.10148	6.0
123.08027	2.4
123.11713	6.5
125.09647	1.3
129.06970	6.1
131.08565	5.3
133.06476	2.3
133.10115	6.1
137.09662	1.2
137.13281	2.8
141.85950	1.0
142.07773	1.8
145.10088	0.9
147.08076	2.2
147.11655	9.0
149.09554	4.8
149.67450	1.0
151.11270	1.4
157.10097	9.2
165.12769	1.9
175.11174	10.1
183.56271	0.9
193.12225	37.2
211.13275	44.5
212.13615	2.1
267.15900	4.5
267.26859	3.2
341.30667	3.8
358.94321	1.0
371.11731	1.1
393.95380	1.0
533.41931	2.7
551.43005	100.0
552.43463	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
53.03940	4.4
55.05503	13.4
57.07077	7.9
57.07287	1.3
60.48810	1.4
65.03919	3.1
67.05496	24.8
69.07056	21.1
69.49378	6.1
69.49799	9.7
74.66042	1.7
79.05477	25.6
81.03381	1.9
81.07045	40.2
83.08597	9.5
85.06496	1.9
91.05470	40.4
93.07034	55.7
95.04924	7.1
95.08018	3.1
95.08595	42.0
97.10126	1.5
103.05456	3.9
105.07018	67.6
107.08580	55.1
108.75430	1.5
109.06509	4.4
109.09420	2.5
109.10142	34.3
115.05436	4.9
117.07008	14.0
119.08565	100.0
121.10126	45.2
123.08040	1.9
123.11680	13.7
128.06175	4.9
129.06984	8.9
130.07738	7.8
131.08557	29.6
133.10115	48.4
135.11681	34.3
137.09598	2.6
141.07019	4.1
142.07767	14.0
143.08551	25.7
144.09323	6.3
145.10114	58.4
147.10556	2.7
147.11667	24.4
149.09598	2.0
149.13222	7.0
153.06961	1.7
154.07768	2.5
155.08548	9.1
156.02760	1.5
156.09315	11.4
157.10109	33.8
158.10878	5.8
159.11682	31.6
161.13239	10.5
163.14778	2.4
165.07028	2.2
167.08522	3.7
168.09319	5.0
169.10092	16.4
170.10834	6.4
171.11679	22.3
173.13248	20.3
175.14813	31.2
179.08533	6.1
180.09372	3.8
181.10080	9.9
182.10873	6.6
183.11697	16.0
184.12363	1.7
185.13222	12.4
187.14796	11.1
187.46513	1.5
189.16359	3.0
192.09325	2.1
193.10098	6.2
193.15854	2.1
194.10852	4.2
195.11679	10.0
196.12384	3.0
197.13239	19.6
199.14795	10.3
201.16406	10.8
205.10081	2.2
206.10803	4.9
207.11664	6.9
208.12401	7.0
209.13213	12.9
210.13750	1.9
211.14790	8.9
213.16405	4.6
215.18002	1.9
219.11676	3.5
219.17369	3.5
220.12486	2.2
221.13197	6.8
223.14684	7.5
225.16353	5.4
227.17999	3.3
231.11613	2.5
232.12463	1.9
233.13223	3.8
235.14745	6.4
237.16367	4.7
239.17909	5.3
240.51822	1.5
241.19472	3.4
245.13107	3.6
247.14857	3.2
249.16388	4.2
251.17934	1.9
253.19470	3.7
257.13086	2.1
257.19000	2.8
259.20593	1.8
260.15503	2.2
261.16342	3.8
263.17935	2.3
265.19485	4.5
267.20959	5.5
273.16202	1.6
275.17792	3.0
277.19498	3.2
279.21176	2.1
281.19107	2.1
285.22150	2.6
289.19516	1.9
291.21094	2.2
297.22095	2.1
307.20358	1.6
329.22775	1.8
345.25699	4.7
391.30243	2.0
401.36295	1.7
411.30444	2.2
429.31570	2.4
459.35562	1.9
495.35825	2.7
533.41425	5.0
551.42322	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11530	0.3
53.03933	1.5
55.01861	0.8
65.03949	0.9
66.87586	0.3
67.05507	0.8
69.03419	0.6
69.37457	4.3
70.06578	0.4
71.04986	3.1
77.03944	0.3
79.05474	1.4
81.02962	0.5
81.03414	7.7
83.04954	0.3
85.02887	0.9
85.06542	1.6
91.05482	3.0
93.07028	1.1
94.04176	2.8
95.04971	1.5
103.05460	22.2
105.07025	0.5
107.04958	1.7
109.06506	0.6
111.04427	0.8
113.05995	8.7
115.05450	1.1
117.06995	1.2
118.04134	0.3
119.04947	0.9
121.06488	2.3
122.03640	7.1
123.04460	0.4
123.08062	0.6
125.05969	0.8
129.07040	0.8
131.04918	37.4
133.06390	0.6
135.04407	0.7
135.08041	0.8
137.05963	100.0
138.06316	1.0
139.03882	1.2
139.07573	0.5
141.05441	0.5
143.04915	1.0
144.05687	0.4
145.06491	1.2
147.04370	1.0
148.05157	0.6
149.05969	4.0
149.09547	0.5
151.03909	11.2
151.04977	0.7
151.07521	10.9
153.05441	1.5
155.04898	0.4
157.06493	0.8
160.05186	0.8
161.05952	1.5
163.07532	37.7
164.08020	0.4
165.05490	0.7
167.07030	3.5
173.05965	0.4
175.07550	3.5
177.05475	0.6
177.09061	0.7
179.06970	0.8
181.04939	2.2
181.08626	1.8
187.07503	1.6
189.05579	0.4
189.09106	0.9
191.07027	7.4
193.08562	0.4
201.09036	0.3
203.07014	1.0
205.08574	4.8
215.07030	0.5
217.08675	1.9
223.16910	0.5
235.07523	0.6
235.09708	1.2
247.09621	0.6
263.09253	0.7
265.08237	0.5
265.10666	3.9
277.08435	0.4
295.09589	0.4
297.11398	0.5
299.12839	1.4
311.09045	0.4
329.13995	0.9
341.13904	0.5
353.13916	0.8
355.11551	0.5
355.15408	0.6
371.15045	0.4
387.14383	0.7
409.16159	0.4
489.18753	0.5
519.19580	2.4
533.21729	0.5
551.22131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95581	2.3
68.99770	3.2
71.71880	4.1
78.03793	3.2
79.01843	5.8
123.04380	3.9
125.02322	6.9
139.03905	7.5
143.03378	9.0
147.04375	2.7
149.02377	5.0
151.03905	2.8
153.01825	100.0
155.04875	3.0
163.03859	4.5
171.04352	2.7
173.05977	5.3
175.03929	3.6
179.03415	10.6
183.04477	3.9
195.01323	2.6
199.03900	4.4
201.05478	7.8
202.22478	2.8
203.03426	8.4
205.04907	3.7
213.05504	5.3
217.04970	3.9
227.03499	2.6
229.04955	13.4
245.04460	4.7
257.04489	20.1
259.06024	4.2
285.03879	20.5
287.05441	31.7
303.04974	77.8
321.06107	4.9
331.04269	3.6
406.52097	2.8
418.40244	2.9
473.07462	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	551.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70130	1.3
83.12561	1.4
85.02844	1.4
87.37938	1.3
94.06551	2.7
105.72112	1.4
137.05986	1.4
152.28726	1.3
163.21974	1.4
197.10675	1.8
198.07753	2.8
199.08650	6.2
201.10144	1.5
204.06621	1.7
211.08620	9.5
212.09445	6.1
213.10191	13.9
214.10913	2.9
215.08165	1.7
224.54890	1.3
225.10210	21.1
226.07314	11.0
226.10890	8.3
227.08142	15.8
227.11710	12.0
229.09500	1.8
237.10358	2.3
239.11647	7.4
240.08954	2.9
240.12476	7.5
241.09714	17.2
241.13354	3.7
242.10468	8.4
251.11723	3.6
253.09708	15.2
254.10449	5.7
255.11284	18.6
257.10077	2.3
257.12833	22.1
265.09842	2.7
267.11249	13.4
268.12048	15.9
269.09229	2.6
269.12811	5.2
271.10876	2.5
279.07709	1.7
279.11328	2.2
280.12033	4.5
281.09247	3.1
282.09445	1.4
284.11761	2.2
285.12375	5.4
286.09540	1.5
286.12894	2.6
295.10773	10.5
296.11597	9.3
297.08777	2.4
297.12384	5.7
298.13110	1.6
299.10358	2.3
301.11981	2.0
313.11768	27.7
314.12540	16.7
315.12933	2.3
341.11252	3.4
342.12134	12.3
343.12656	3.3
355.13013	2.2
371.12399	2.1
373.13925	6.3
374.14334	4.2
389.13443	3.0
401.13327	1.4
403.11295	6.0
403.15744	2.5
409.13666	2.1
417.16727	2.0
419.14642	4.3
427.14932	2.8
431.14706	2.7
445.16190	18.9
457.15793	2.9
463.17068	4.5
473.15408	15.7
475.17148	7.9
476.70715	1.8
477.15186	2.5
491.16586	74.1
492.16885	2.4
501.14938	5.8
503.67206	1.6
519.16083	94.5
520.16211	3.1
533.17566	5.9
551.18652	100.0
552.18970	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	549.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05511	33.9
57.03426	6.0
57.07066	6.5
57.09155	2.7
65.03926	2.8
67.05502	47.7
68.05811	2.2
68.24628	2.4
69.03422	2.9
69.07066	37.0
71.04993	5.4
71.08634	3.8
71.70810	2.6
71.71194	2.5
79.05484	29.0
81.03420	41.4
81.03889	2.6
81.07058	51.4
83.04985	7.2
83.08619	41.7
85.02910	15.6
91.05472	24.4
93.07036	26.8
95.04961	19.1
95.08598	38.8
97.06535	5.0
97.10155	12.9
102.31925	2.0
105.07009	19.8
107.04993	4.6
107.08588	16.7
109.06535	3.9
109.10160	21.8
111.08107	9.9
111.11723	5.9
119.08555	17.8
121.10114	23.1
123.11729	6.7
123.86755	2.7
129.07024	9.3
131.08601	9.9
133.10133	6.0
135.11720	9.0
137.13269	3.5
142.07855	2.6
145.10173	2.5
147.11705	9.2
149.09662	5.4
149.13237	2.8
150.53687	2.1
157.10121	6.7
175.11235	10.9
193.12247	42.5
207.22598	2.5
211.13281	48.9
247.24368	2.9
265.25250	6.2
267.15979	4.8
339.28973	4.1
396.80112	2.8
457.36194	4.6
531.39868	10.9
549.41486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67331	1.0
53.03942	3.7
55.01870	2.3
55.05239	1.5
55.05506	30.6
57.03428	6.6
57.07071	6.8
57.12074	1.0
57.89709	1.2
64.35639	1.2
64.72406	1.1
65.03936	3.2
67.05500	45.5
69.03423	3.0
69.07066	36.1
70.26895	5.1
71.04983	6.0
71.08621	3.7
79.05489	25.3
81.03414	42.3
81.07051	47.6
83.04981	8.0
83.08616	36.0
83.08988	0.7
85.02901	22.4
85.06541	3.3
85.10171	2.7
91.05474	24.6
93.07041	24.3
95.04961	18.6
95.05515	1.7
95.08598	35.6
97.02883	1.9
97.06528	2.7
97.10158	14.6
99.08049	1.7
105.04542	1.6
105.07033	18.5
107.04933	3.0
107.08594	15.6
109.06499	2.2
109.10147	17.3
111.04440	2.1
111.08086	10.3
111.11720	3.0
113.05996	2.9
117.07006	1.7
119.08577	15.1
119.16737	1.1
121.06520	2.2
121.10137	17.5
123.08135	1.2
123.11698	5.7
125.09628	1.9
129.07010	7.4
131.08548	8.9
133.10121	8.4
135.11687	10.1
137.09612	1.2
137.13252	1.7
138.52303	1.2
139.11166	1.5
142.07777	2.1
145.10136	4.4
147.11678	10.1
149.09615	4.8
149.13266	4.6
151.14793	2.2
157.10092	9.8
159.11705	1.8
163.14912	2.2
165.12865	2.7
165.16418	1.7
175.11171	10.5
185.04448	12.8
185.13103	1.3
193.12233	41.8
211.11263	2.6
211.13278	48.6
223.28360	1.1
247.24254	3.2
249.14751	1.4
265.25256	9.2
267.15985	4.2
271.09680	7.1
339.28946	3.0
428.67670	1.3
457.36755	2.5
531.40179	7.5
549.41461	100.0
550.41986	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	549.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01862	4.3
55.05247	2.4
55.05505	40.6
57.03426	8.2
57.07071	10.5
59.18987	1.3
60.94184	1.3
65.03937	3.2
67.05497	56.6
69.03415	5.3
69.07063	41.2
71.04997	7.1
71.08624	4.0
71.15636	2.9
71.15978	1.7
72.84025	1.4
77.70526	1.4
79.05482	28.4
81.03412	46.2
81.07049	58.9
82.07404	1.6
83.04975	8.6
83.08609	41.5
83.37756	1.3
85.02899	24.0
85.06541	2.6
85.10166	2.0
91.04943	2.3
91.05474	29.6
93.07036	29.6
95.04959	23.7
95.08599	47.0
96.08994	1.7
97.02895	1.6
97.06529	5.6
97.10152	18.2
99.08073	2.6
105.07021	22.6
107.04964	4.7
107.08596	17.1
109.06529	3.0
109.10139	18.8
111.04403	1.8
111.08070	9.1
111.11705	4.3
113.06020	2.6
115.05453	1.7
117.07011	3.3
119.08569	17.3
121.06519	2.0
121.10149	20.1
123.11684	7.0
129.06998	7.5
131.08580	10.8
133.06447	2.5
133.10083	7.7
135.11681	12.6
137.09560	1.5
137.13290	1.4
142.07797	1.5
143.08560	1.6
145.10106	3.3
146.38596	1.4
147.08018	3.6
147.11661	10.7
149.09673	5.0
149.13254	4.2
150.13606	1.6
151.14835	1.7
157.10098	9.8
159.11737	1.6
163.14828	2.9
165.12724	2.7
165.16437	1.8
171.11674	1.4
173.13123	1.3
175.11183	9.3
185.04436	13.9
193.12241	42.2
211.13269	52.7
211.15204	2.8
247.24213	2.5
265.22845	1.5
265.25348	5.2
267.15997	5.1
267.95950	1.5
271.09561	6.9
298.36578	1.5
339.28970	3.8
380.58905	1.6
439.34705	1.4
457.36649	1.9
531.40228	6.3
549.41449	100.0
550.41608	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	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73990	1.3
53.03942	5.2
55.01870	3.6
55.05510	39.4
57.03432	12.3
57.07069	13.6
59.40490	1.4
60.49170	1.4
65.03931	3.0
67.05499	61.1
69.03417	2.3
69.07063	46.3
69.70922	11.2
71.04988	6.8
71.08633	6.7
79.05490	36.6
81.03410	51.5
81.07053	66.0
83.04982	9.6
83.08613	44.4
85.02896	22.5
85.06556	3.7
85.10180	2.9
91.05473	29.6
93.07045	29.9
95.04966	23.9
95.08601	49.1
97.02886	2.2
97.06533	5.1
97.10162	16.9
105.07026	23.8
107.04972	4.6
107.08588	21.9
109.06535	4.4
109.10143	24.6
111.08092	9.7
111.11781	2.7
113.05992	3.7
113.09706	1.8
115.05486	1.9
117.06995	4.3
119.08569	18.4
121.06509	3.1
121.10159	18.4
123.11716	9.1
129.07033	8.8
131.08560	11.5
133.06528	2.0
133.10127	15.5
135.11679	10.1
137.09599	2.6
137.13268	2.5
138.96637	1.4
144.86603	1.4
145.10141	3.0
147.11671	12.2
149.09595	2.8
149.13277	6.6
151.11166	7.0
151.14848	1.9
157.10173	9.8
159.11670	2.2
161.13345	1.8
165.12782	2.6
169.12247	2.6
173.13278	2.7
175.11179	12.0
176.11708	1.9
183.11690	2.3
193.12221	42.8
211.13278	49.5
219.13873	5.0
246.74164	1.4
247.24228	3.5
253.14343	11.6
261.22217	5.0
265.25287	7.2
267.15979	4.9
271.15482	4.3
293.17645	3.9
313.27414	3.3
335.25967	3.7
339.29053	4.3
457.36749	3.7
531.40967	6.6
549.41547	100.0
550.41840	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	549.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
56.06040	0.9
62.09703	0.9
70.15613	4.8
75.54552	1.0
77.73013	1.0
94.06525	1.7
104.45674	1.0
120.04489	1.2
120.08161	0.9
131.84058	1.1
137.05948	1.3
139.03905	1.0
144.92903	1.0
146.05971	1.9
148.07660	1.1
153.01788	1.2
160.75687	0.9
162.05437	1.1
166.05032	1.2
168.06607	1.1
197.10768	4.8
198.07793	1.4
198.11484	1.9
199.08661	10.0
201.10373	1.2
211.08655	10.3
211.12196	2.0
212.09416	4.2
213.10172	11.8
214.07396	1.5
214.10992	3.8
224.09270	1.9
225.10191	26.0
226.07407	10.3
226.10957	10.5
227.08170	16.8
227.11752	9.3
237.10295	2.0
239.08090	2.5
239.11816	10.7
240.08916	2.8
240.12590	7.2
241.09697	17.7
241.13417	3.5
242.10434	13.0
242.14153	1.5
249.10291	1.1
251.11862	1.9
252.08850	1.4
253.09669	12.8
254.10468	4.6
255.11301	13.4
256.11990	1.6
257.12820	41.5
265.09671	1.7
267.11249	17.0
268.09125	1.7
268.12057	16.7
269.09241	2.7
269.12830	5.6
271.10779	2.1
273.12201	1.2
279.11459	1.3
280.12094	3.4
281.09134	3.4
283.10812	1.7
284.11542	3.4
285.12253	8.2
286.12793	2.3
295.10748	12.9
296.11523	15.9
297.12378	5.9
298.13135	1.5
299.10226	2.6
300.11053	1.4
313.11801	58.2
314.12546	26.6
315.13278	1.7
323.10355	2.3
324.10782	1.1
327.13525	1.4
341.11404	5.8
342.12097	43.9
348.07281	1.3
373.13940	12.2
374.14697	5.3
383.12338	2.1
389.52390	1.1
401.09302	1.4
401.13901	1.6
411.11667	1.8
417.12756	1.9
429.12875	3.1
433.15945	1.8
443.14423	8.4
455.14474	1.7
457.12274	3.6
471.13879	6.6
473.15335	5.6
489.15021	53.7
499.13531	2.7
517.14502	57.7
531.15997	1.8
549.17133	100.0
550.17902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81136	0.8
55.01822	0.9
66.26701	0.7
69.03404	0.9
69.87997	4.6
115.77522	0.7
117.75864	0.7
137.05905	3.0
139.03842	1.3
153.01700	1.0
184.11119	0.8
197.10704	1.8
198.07751	1.7
198.11499	2.0
199.08640	10.1
200.09349	1.2
201.10164	1.2
211.08655	10.3
211.12170	1.3
212.09312	3.4
213.10213	12.0
214.07335	1.4
214.10934	3.4
225.06676	0.9
225.10210	14.1
226.07353	13.5
226.10861	5.2
227.05913	1.2
227.08171	17.9
227.11688	6.3
237.10184	1.2
239.08119	1.3
239.11787	6.6
240.08913	2.0
240.12497	5.3
241.09721	15.1
241.13380	1.6
242.10487	14.9
251.07986	0.9
251.11658	1.0
252.08879	0.9
253.09718	10.0
254.10457	2.9
255.11252	11.8
257.12839	19.7
267.11276	11.4
268.08633	1.2
268.12048	13.9
269.09183	2.2
269.12778	3.1
271.10764	1.2
280.12006	1.7
281.09244	1.8
283.10776	1.3
284.11594	1.5
285.12350	3.1
286.09525	1.6
286.13004	2.0
295.10779	6.5
296.11539	12.6
297.12323	2.9
298.13300	1.4
299.10269	1.1
300.11023	1.3
313.11795	31.0
314.12555	14.2
323.10333	0.9
324.10922	1.0
341.11319	4.7
342.12091	50.4
373.13812	6.7
374.14505	3.2
374.99744	0.8
387.14471	1.2
393.01227	3.5
401.09622	3.1
411.02463	2.2
429.12900	1.2
433.16113	1.5
443.14459	3.7
455.14236	1.5
457.12399	3.2
471.13693	4.6
473.15680	3.8
475.13699	1.4
489.14984	29.8
489.22061	1.6
499.13455	1.9
517.14514	100.0
518.14844	1.7
531.15900	1.1
549.17133	50.0
550.17352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24894	0.6
53.25686	0.5
55.01859	0.5
55.05504	6.6
57.03419	1.5
59.41698	0.6
61.02918	0.8
64.41791	0.5
65.03953	0.6
67.05487	1.8
67.79628	0.6
70.84379	1.9
72.31136	0.6
78.61989	0.6
83.04973	47.0
85.02895	100.0
90.33990	0.6
97.73206	0.5
105.58395	0.6
111.03660	1.2
111.04431	24.5
127.03894	5.8
129.05467	14.0
171.06506	70.5
172.06906	0.6
175.47855	0.7
231.08571	0.7
319.04468	2.5
329.03033	1.0
331.04507	1.7
357.06024	0.9
385.05493	2.0
406.15497	0.6
411.06961	0.9
505.25235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11978	1.2
53.03935	4.1
53.07417	1.1
55.01857	3.5
55.05508	23.7
57.03443	6.5
57.07059	7.1
65.03928	4.1
67.05499	79.2
69.03417	2.5
69.07059	20.3
69.62699	2.6
69.63105	6.9
71.04976	4.6
71.08621	3.9
75.57721	1.2
79.05488	33.6
80.05817	1.6
81.03409	38.8
81.07048	70.5
83.04961	9.2
83.08608	25.2
85.02897	16.5
85.06535	2.3
85.10188	2.4
88.92700	1.0
91.05474	31.7
93.07031	30.4
95.04958	20.6
95.08598	46.8
97.02889	1.6
97.06517	4.5
97.10143	9.2
99.08086	2.5
105.07018	27.3
107.04940	5.0
107.08582	17.4
109.06529	5.2
109.10146	21.9
111.04464	2.2
111.08065	9.0
113.06026	2.2
115.05406	1.3
117.07028	4.2
119.08572	20.9
121.06511	3.0
121.10121	15.8
123.04440	1.4
123.08061	2.6
123.11691	12.6
125.09630	4.1
129.07001	5.6
131.08542	9.9
133.06445	2.1
133.10127	12.1
135.11697	6.6
136.12099	1.3
137.09605	1.9
137.13248	2.0
141.07088	1.8
142.07744	1.5
143.08586	1.9
145.10126	5.1
147.08043	2.8
147.11671	12.6
148.12042	1.7
149.09642	3.8
149.13257	2.7
155.45055	1.1
157.10153	7.7
159.11707	2.5
161.13266	5.0
163.11215	1.5
163.14896	1.8
165.12776	2.3
169.36572	1.2
171.11685	1.6
173.13280	2.7
175.11203	9.9
175.14841	2.3
185.13266	1.8
189.11281	1.7
189.16362	1.1
193.12233	40.6
211.13286	36.1
227.12888	1.7
235.13364	2.5
245.22665	2.8
249.14763	1.9
263.23734	4.3
267.15945	9.7
285.17154	1.6
302.82550	1.2
303.26779	3.4
337.27295	7.5
437.34122	4.6
455.35211	5.7
473.36401	3.8
487.72620	1.2
496.43127	1.2
517.31696	1.3
529.38837	19.5
529.46161	2.1
547.39880	100.0
548.40320	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	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03437	1.0
51.41263	0.8
53.03950	4.9
54.29643	0.8
55.01874	4.1
55.05245	1.6
55.05507	23.6
57.03436	8.1
57.07072	7.4
61.81502	0.9
65.03931	2.7
67.05500	73.0
69.03418	2.9
69.03803	0.9
69.07063	20.6
70.89883	2.4
71.04992	4.9
71.08623	3.8
79.05487	34.3
80.05801	1.1
81.03412	33.5
81.07052	70.6
83.04974	8.3
83.08612	22.5
85.02898	18.6
85.06535	2.2
85.10181	2.7
91.05472	32.7
91.06325	0.9
93.07040	32.5
94.07414	1.0
95.04961	26.1
95.08600	46.2
97.02869	2.1
97.06512	5.4
97.10156	10.4
99.08097	1.9
103.05466	1.4
105.07019	23.0
106.07352	1.0
107.04954	4.3
107.08591	17.3
109.06500	3.1
109.10147	19.7
111.04437	2.4
111.08083	7.9
113.06003	1.6
115.05440	1.9
117.07025	2.9
119.08566	18.8
121.06503	2.8
121.10121	17.0
123.04413	4.6
123.08033	1.6
123.11692	10.7
125.06002	1.1
125.09612	4.1
129.07001	6.8
131.08551	9.7
133.06476	2.1
133.10143	12.9
135.08031	1.5
135.11702	6.4
137.09654	1.6
137.13243	2.4
143.08557	1.4
145.06508	0.9
145.10147	5.1
147.08044	3.4
147.11665	11.8
149.09633	3.7
149.13257	3.9
153.09059	1.0
157.10100	8.4
159.11621	1.9
161.13301	3.1
163.11223	2.4
163.14828	1.8
165.12816	2.2
171.11610	1.1
173.09621	1.1
173.13223	1.1
175.11201	9.2
175.14824	2.2
179.14284	1.1
185.13243	1.2
189.11241	1.0
193.12228	38.9
195.11604	1.1
207.13788	1.1
211.11258	2.1
211.13275	40.0
213.04922	1.1
229.14404	1.2
235.13333	5.7
239.23756	1.1
245.22688	1.5
249.15001	1.4
259.20807	1.0
263.23694	5.7
267.15927	7.2
285.17081	1.6
303.26901	1.7
337.27243	6.2
433.81885	0.9
437.34167	1.9
455.35254	3.4
473.36258	2.0
475.35617	1.0
529.38971	13.9
547.39905	100.0
548.40173	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01862	4.1
55.05507	19.9
57.03423	6.9
57.07060	2.0
65.03932	4.6
66.83485	1.5
67.05495	89.9
69.07058	26.9
69.43073	16.4
71.04998	3.9
71.08616	2.3
79.03489	1.5
79.05485	50.3
81.07047	100.0
83.04977	6.0
83.08611	15.3
83.25288	1.6
85.06514	4.8
91.05466	34.3
93.06439	3.6
93.07031	63.6
95.04961	6.2
95.08596	61.0
97.06535	8.0
97.10160	6.4
98.21499	3.4
99.08071	1.9
105.07021	33.2
107.08582	37.7
107.09252	3.2
109.06493	2.8
109.10139	30.5
109.64704	1.6
111.08070	4.2
111.20306	1.7
117.07020	10.7
119.08564	28.7
121.10141	27.5
122.71990	1.6
123.08026	2.6
123.11694	13.9
125.09650	3.5
129.06996	3.9
131.08548	28.7
133.10109	22.0
135.08044	3.9
135.11662	17.0
137.09575	1.9
137.13225	5.2
143.08577	5.8
145.10098	15.8
147.11649	18.5
147.12703	2.1
149.13245	19.8
151.11261	1.8
155.08542	2.3
157.10124	6.1
159.11664	16.6
161.13206	10.3
163.14818	7.1
165.12762	3.6
169.10136	2.9
171.11725	5.2
173.11810	2.3
173.13171	8.6
175.14813	3.7
177.12703	3.1
181.10213	1.6
183.11671	2.4
184.74963	1.7
185.13245	4.3
187.14839	3.3
191.14110	1.9
195.13730	8.6
195.16441	1.8
199.14819	2.6
201.16286	3.2
204.18596	1.8
215.17870	1.8
227.12758	2.9
229.14412	4.5
243.21130	1.9
245.22411	1.8
247.20700	2.8
249.18909	1.5
259.20499	3.1
261.22104	17.0
267.15945	5.3
269.17413	20.2
275.20163	2.1
287.23755	3.2
289.25024	1.7
301.25232	6.0
315.23199	2.1
317.24707	5.0
335.25745	19.7
375.28775	2.9
406.29907	1.9
419.33188	2.4
437.34177	12.9
455.35098	11.6
473.36411	10.7
511.37604	3.5
529.38818	68.2
530.39331	2.7
547.40283	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	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.05504	26.5
57.03421	7.8
57.07071	16.3
59.04946	3.3
65.03941	3.0
66.48794	2.7
67.05498	98.0
69.07063	28.0
69.54086	11.1
69.54516	14.6
71.04971	5.8
71.08609	9.0
74.64957	2.3
75.48757	2.5
79.05484	45.2
81.03415	15.5
81.07050	100.0
83.04956	4.8
83.08138	3.2
83.08598	19.1
85.06521	5.5
85.10161	6.0
91.05479	35.2
93.07033	54.4
95.04959	21.5
95.08591	70.7
97.06517	6.4
97.10147	9.5
99.08076	4.5
102.26101	2.8
105.07018	35.0
107.04955	6.3
107.08584	35.0
107.09699	2.6
109.10139	35.2
111.08023	6.1
117.06976	10.6
119.08561	31.2
121.10126	30.6
123.04441	13.3
123.11733	15.8
125.09601	2.7
129.06952	7.4
131.08571	25.9
133.10112	24.9
135.11664	25.5
135.13284	2.5
137.13199	2.8
143.08549	6.0
145.10088	24.7
147.11678	21.8
149.09593	3.3
149.13242	19.0
151.11119	2.6
155.08560	3.1
157.10103	5.4
159.11661	17.0
161.13243	12.4
163.11113	7.3
163.14815	5.2
165.12733	4.1
169.10063	3.5
171.11705	4.8
173.09659	3.2
173.13254	12.1
175.14784	4.3
177.12714	4.1
183.11667	4.5
185.13316	3.4
187.14812	6.1
189.12737	3.5
195.13809	4.6
229.14317	4.0
235.13246	15.5
259.20435	3.9
261.22144	12.3
267.15881	4.5
269.17526	14.2
287.23706	4.5
292.12662	3.0
333.24228	3.5
335.25739	10.0
419.33041	3.1
427.35306	3.3
437.33920	8.9
455.34818	13.6
473.36078	8.5
487.36804	3.1
511.37173	3.1
529.38843	64.1
547.40167	85.4
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
53.03931	3.2
55.05506	11.9
57.03444	13.9
64.17197	2.5
66.19652	2.4
66.55735	2.0
67.05501	36.2
69.03404	2.3
69.07074	10.8
71.04965	4.5
71.45259	2.0
71.94092	2.0
79.05484	27.5
81.03410	51.6
81.07047	47.1
83.04974	7.3
83.08614	21.7
85.06485	2.3
91.05470	24.3
93.06459	2.2
93.07037	42.5
95.04960	23.3
95.08602	13.1
97.06516	6.4
97.10185	3.1
105.07010	14.0
107.04902	4.1
107.08576	21.6
109.10131	4.9
111.08035	7.6
117.06976	5.4
119.08551	8.2
121.10111	10.4
123.11698	2.7
129.06995	8.5
131.08557	12.1
133.10085	11.0
135.08119	3.4
135.11696	4.3
147.11673	5.2
149.09602	4.2
149.13272	17.8
157.10104	7.1
159.11673	8.5
161.32770	2.4
175.11169	6.4
177.12782	3.3
193.12274	15.0
195.13846	10.0
267.15909	62.3
269.17474	63.9
276.20428	2.6
285.16776	2.7
461.28958	100.0
462.28955	3.0
546.37701	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	546.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01867	5.0
55.05504	18.6
56.45408	2.0
57.03425	14.2
57.51762	2.2
59.05004	2.4
61.13871	2.2
65.03915	2.4
67.05140	4.2
67.05497	67.1
69.03440	2.2
69.07053	11.4
71.04988	29.2
71.56104	1.9
71.72678	3.2
72.01320	1.8
75.19025	1.9
79.05490	39.4
81.03411	38.5
81.07050	100.0
83.04968	17.1
83.08613	20.7
85.02900	14.2
85.06532	8.8
85.35812	2.3
91.04932	3.8
91.05473	54.2
93.07030	30.3
94.07347	2.4
95.04953	20.3
95.08590	17.1
97.02869	2.6
97.06525	8.6
97.10159	4.2
99.08126	2.7
105.07022	31.9
107.04942	7.0
107.08582	16.5
109.06505	6.2
109.10127	11.5
111.08067	8.3
117.07037	6.8
119.08555	18.8
121.06510	3.4
121.10092	9.5
123.08078	2.6
123.11694	13.4
125.09562	2.7
129.06979	8.5
131.08578	11.4
133.06465	2.8
133.10118	27.0
135.11668	7.2
145.10091	3.4
147.08055	2.8
147.11665	11.5
149.09581	5.4
149.13278	6.8
151.11195	12.0
157.10101	13.7
159.11688	7.8
163.11130	2.0
171.11800	2.0
175.11124	10.4
177.12730	2.7
183.13820	6.3
187.13297	7.3
193.12207	30.9
195.13802	5.7
211.13272	42.5
225.14902	3.7
229.14339	2.8
243.15923	5.7
257.17532	4.5
267.15891	21.1
269.17358	14.9
285.16934	30.3
301.20010	37.9
302.20316	2.3
328.26871	2.0
417.26288	2.8
435.27414	38.5
453.28427	94.4
454.28592	2.3
461.28821	19.4
467.30093	11.5
479.30136	25.9
511.32758	28.4
546.25494	4.6
546.38062	7.9
561.97852	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49698	1.8
53.00322	2.2
53.03949	9.1
55.01874	4.6
55.05510	29.5
57.03441	10.2
57.07078	2.0
65.03944	3.6
67.05499	67.1
69.03432	4.4
69.07056	16.4
69.44732	20.4
71.04978	6.4
75.46181	2.0
79.05485	54.2
81.03411	41.5
81.07051	60.2
83.04978	11.8
83.08608	21.0
85.02892	17.1
85.06536	2.1
91.05475	45.4
93.07037	58.0
95.04964	29.0
95.08602	36.2
97.06530	5.5
97.10145	10.3
98.21502	3.7
105.04546	2.9
105.07018	34.8
107.04978	4.0
107.08593	24.4
109.06503	6.0
109.10152	19.0
111.08101	9.9
115.05480	2.5
117.07024	8.7
119.08590	28.6
121.06515	3.9
121.10138	25.9
123.08068	2.5
123.11726	8.2
125.09625	4.8
128.06168	1.8
129.07010	7.0
131.08557	24.4
133.06638	2.0
133.10106	19.9
135.08069	2.4
135.11696	12.3
137.09560	2.1
138.76985	2.0
141.45673	1.6
142.07755	3.8
143.08540	5.4
145.10149	13.8
147.08069	3.0
147.11668	15.4
149.09682	4.2
149.13254	6.0
157.10126	12.3
159.11710	10.0
161.13246	7.7
163.14941	3.2
169.10176	3.2
170.24438	2.2
171.11708	3.7
173.13277	7.8
175.11159	10.3
175.14943	2.5
183.11707	3.2
185.13225	2.6
187.14857	4.6
189.11259	5.6
193.12244	37.9
211.13295	41.1
217.88156	1.9
227.12834	7.0
243.21143	2.6
261.22156	9.7
267.15775	9.7
275.20230	2.1
285.22177	3.0
301.25317	10.5
317.24771	3.4
335.25867	7.6
340.55121	2.5
359.25815	3.2
417.31674	3.2
435.32666	6.3
453.33917	8.8
471.34641	8.2
527.37372	37.9
545.38379	100.0
546.38580	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
54.09159	1.6
55.01855	7.1
55.05507	34.8
57.03426	7.6
57.07062	3.4
59.85082	1.8
65.03938	2.7
67.05499	57.1
69.03429	3.0
69.07063	17.7
70.21536	8.0
71.04983	2.9
79.05489	33.8
81.03410	20.6
81.07048	54.8
83.04970	4.7
83.08598	20.1
85.02885	2.2
85.06569	1.9
86.46775	1.6
91.05471	37.0
93.07036	37.7
95.04957	17.4
95.08604	39.1
97.06554	2.8
97.10159	21.0
98.21388	1.7
99.08109	2.6
100.22209	1.6
105.07017	26.2
107.04951	7.2
107.08580	22.9
109.06521	6.1
109.10143	21.2
111.08054	4.3
115.05441	2.7
117.07023	11.4
119.08567	26.8
121.06535	9.1
121.10124	14.9
123.08067	7.6
123.11706	8.9
125.09619	18.9
129.06984	8.4
131.08545	23.4
133.06468	2.9
133.10115	18.8
135.08075	5.4
135.11694	9.9
137.09612	3.1
141.07021	2.6
142.07814	2.0
143.08585	7.7
145.10123	16.8
147.08057	4.4
147.11656	14.0
149.09619	7.3
149.13284	5.8
155.08569	3.6
157.10129	8.0
159.08052	2.2
159.11653	9.9
161.09529	1.7
161.13258	6.6
163.11232	3.3
163.14861	3.9
169.10156	5.9
171.11690	5.9
173.11945	2.2
173.13234	9.5
175.11180	4.4
175.14806	4.4
177.12698	3.6
183.11627	3.8
185.13275	4.4
187.11201	2.1
187.14867	4.6
189.11203	12.0
189.16409	2.1
193.12302	9.4
195.11768	2.5
197.13309	3.5
199.14812	3.1
201.16393	2.1
205.12178	1.8
209.13243	2.1
211.13217	3.5
211.34483	1.7
219.17419	1.6
227.12753	14.6
243.21164	2.5
247.16962	3.5
249.14787	2.2
249.18596	1.6
261.18549	1.9
261.22171	11.6
267.15869	20.8
279.23297	1.7
285.22083	3.7
287.19894	2.4
299.23611	1.9
301.21890	2.0
301.25174	21.1
303.23166	2.5
317.24823	3.2
327.23282	3.1
329.21140	1.8
335.25864	15.1
341.24905	2.3
359.25961	3.0
390.77222	1.8
403.24905	3.4
417.31500	3.3
421.25806	4.9
435.27521	3.6
435.32657	12.7
453.33746	14.7
471.34650	10.2
509.36465	3.1
527.37305	63.5
527.45258	3.1
528.38354	2.3
545.38348	100.0
546.38855	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28426	0.8
50.40381	0.8
51.02370	0.9
53.03950	5.0
55.01868	3.9
55.05246	1.7
55.05507	28.8
57.03434	10.1
57.07072	1.0
59.04980	1.4
65.03931	4.3
67.05499	60.0
69.03429	3.9
69.07060	16.8
70.18886	1.2
70.19176	4.5
71.04990	7.6
71.08634	1.2
73.93786	0.7
77.03914	1.0
79.05488	61.3
81.03413	41.4
81.03899	1.6
81.07051	58.3
83.04972	10.4
83.08613	20.6
85.02899	20.0
85.06530	3.3
86.45265	0.7
91.04877	0.9
91.05472	46.3
93.07037	53.3
93.14986	1.0
95.04963	23.6
95.08597	40.3
97.02899	2.0
97.06528	6.1
97.10150	7.7
99.08086	1.8
103.05453	0.8
105.04538	1.5
105.07022	33.4
107.04948	5.3
107.08589	26.4
109.06506	5.4
109.10149	16.0
111.04476	1.9
111.08071	9.1
113.05981	1.9
115.05460	2.3
117.07027	10.1
119.08576	29.5
121.06537	2.2
121.10137	25.9
123.08053	2.7
123.11682	4.6
125.09605	5.7
128.06192	1.5
129.07010	10.4
130.07747	0.9
131.08554	17.1
133.06483	2.9
133.10117	18.3
134.80022	0.9
135.08055	1.9
135.11682	13.0
137.09663	2.6
137.13222	1.3
141.06926	1.1
142.07808	1.8
143.08521	4.1
145.10109	12.1
147.08049	3.4
147.11678	15.4
149.09578	4.6
149.13251	5.6
151.11247	1.0
155.08560	2.3
156.09335	0.9
157.10132	9.8
159.11664	7.8
161.13243	5.3
163.11218	1.7
163.14842	2.2
165.12762	2.2
169.10126	2.0
171.11656	4.3
173.09779	0.8
173.13263	6.0
175.11198	11.2
175.14836	2.7
177.38684	0.8
181.10085	1.2
183.11720	3.0
185.13315	2.4
187.14801	3.6
189.11177	1.9
189.16449	0.8
193.12231	46.3
195.11720	1.2
197.13329	1.5
199.14790	2.1
201.16431	1.8
209.13245	1.1
211.13264	48.3
213.16469	1.2
227.12770	3.9
243.21024	2.4
249.14749	1.1
255.09892	1.0
259.20566	1.3
261.19495	1.1
261.22141	6.6
267.15839	5.8
267.20963	1.0
269.17337	1.0
285.16962	1.3
285.22186	3.0
299.23593	1.9
301.22037	1.5
301.25333	5.3
303.23206	1.5
311.23685	1.0
335.25818	3.6
347.25574	1.1
359.25821	1.0
417.31250	2.0
435.32535	5.8
453.33618	5.6
471.34882	3.6
509.36328	2.3
515.03802	0.8
527.37244	19.9
545.38348	100.0
546.30133	0.8
546.38721	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.3
55.01858	3.7
55.05506	34.0
57.03437	9.6
57.07054	1.6
59.04987	1.9
65.03926	3.6
67.05498	72.7
69.03411	4.5
69.07059	18.3
71.04982	6.6
71.33709	3.4
75.31895	1.5
76.82692	1.2
77.03888	1.6
79.05486	68.8
81.03410	48.7
81.07049	66.4
82.51161	1.2
83.04968	11.9
83.08614	25.7
85.02896	23.2
85.06534	2.6
91.05469	57.2
93.07033	60.0
95.04960	27.7
95.05521	2.4
95.08598	45.0
97.02892	1.8
97.06533	6.4
97.10152	8.8
105.04543	2.1
105.07018	40.4
107.04962	7.2
107.08585	28.4
109.06528	7.0
109.07145	1.3
109.10148	18.8
111.04453	2.9
111.08056	11.1
113.05973	3.1
115.05444	2.1
117.07034	10.5
119.08569	29.7
120.30930	1.4
121.06503	1.8
121.10127	33.7
123.08054	4.1
123.11697	5.4
125.09633	5.4
129.06979	10.9
131.08551	20.4
133.06482	1.7
133.10104	19.6
133.11037	2.0
135.08063	2.7
135.11676	14.8
142.07759	3.2
143.08553	4.3
145.10115	13.1
147.08038	3.6
147.11679	17.1
149.09627	5.1
149.13240	7.1
155.08539	3.4
157.10132	14.1
159.11679	7.5
161.13240	6.1
163.11206	3.3
163.14775	1.8
165.12753	3.8
171.11722	1.9
173.13196	6.2
175.11197	13.3
175.14830	3.1
183.11592	2.0
185.13232	2.3
187.14784	2.6
189.11159	3.1
193.12231	60.5
211.13264	53.5
227.12881	2.9
249.14897	1.7
261.18994	1.2
261.22031	8.5
267.15793	6.3
301.25266	5.6
303.23270	2.0
314.12210	1.4
335.25876	4.7
435.32349	3.1
453.33594	4.2
471.34576	4.1
527.37256	16.1
539.86707	1.8
545.38330	100.0
546.38495	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.6
53.03928	4.9
55.01855	5.8
55.05240	2.4
55.05505	39.2
57.03429	13.1
57.07061	3.1
65.03931	2.3
67.05499	81.4
69.03413	5.3
69.07060	20.2
70.89909	3.2
70.90318	3.4
71.04986	4.7
79.05488	48.1
81.03413	22.5
81.07047	75.6
83.04967	7.7
83.08612	21.7
85.06524	4.5
91.05472	42.4
93.07035	49.3
95.04960	20.9
95.07997	1.5
95.08590	43.6
97.06526	6.6
97.10157	25.2
103.05423	1.8
105.06326	3.7
105.07014	40.5
107.04961	8.8
107.08585	32.6
108.16561	1.8
109.06496	4.8
109.10147	28.8
111.08073	6.9
115.05420	3.5
117.07010	17.8
119.08573	34.6
121.06503	9.7
121.10118	16.9
123.08077	4.8
123.11721	9.6
125.09598	17.2
129.07002	11.1
131.08537	28.5
133.06476	4.3
133.10127	26.0
135.07986	8.4
135.11662	16.5
137.09602	5.0
141.06999	3.5
142.07755	2.7
143.08522	9.6
145.06493	3.0
145.10104	16.6
147.08034	3.5
147.11671	18.0
149.09555	2.8
149.13246	7.9
155.08514	3.8
157.10126	12.8
159.11694	18.7
161.09616	2.3
161.13258	12.2
163.11186	3.8
163.14807	3.9
169.10129	6.7
171.11693	8.6
173.13263	11.5
175.11237	4.8
175.14815	5.8
181.10146	2.0
183.10204	2.0
183.11743	6.3
185.13210	8.0
187.13293	1.9
187.14861	5.0
189.11234	10.6
189.16423	1.9
193.12280	8.5
197.13235	4.2
199.14742	3.9
201.16321	1.9
205.15834	2.2
209.13394	2.4
211.14928	3.0
227.12721	14.2
241.19514	2.8
243.15865	3.1
243.21095	1.8
247.16910	3.9
249.18454	2.3
259.20587	6.0
261.22238	8.4
267.15857	19.7
285.22128	3.9
287.20038	2.3
299.23611	2.4
301.21909	2.3
301.25150	19.2
303.23129	3.5
317.24878	2.8
327.23196	2.5
333.24109	2.8
335.25836	14.7
341.24734	2.9
359.25894	4.3
403.24612	2.7
417.31818	2.9
421.25931	3.4
435.27585	2.9
435.32452	10.7
453.33606	13.4
471.34882	12.8
509.36368	3.7
527.37311	62.3
545.38348	100.0
546.39270	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.7
53.03937	5.1
55.01861	4.3
55.05510	28.1
57.03434	8.5
65.03960	3.5
67.05499	64.6
69.03410	5.6
69.07062	15.7
70.66560	5.6
71.04979	5.7
75.57863	1.4
79.05486	55.0
81.03414	35.6
81.07052	53.8
83.04987	9.4
83.08620	20.3
85.02904	17.9
85.06528	2.7
91.05476	42.4
93.07040	51.8
95.04963	26.0
95.08603	32.7
97.06518	4.2
97.10163	8.7
102.04659	1.5
105.07024	30.7
107.04935	4.6
107.08588	24.6
109.06514	4.8
109.10148	16.2
111.08062	9.5
113.05999	1.8
117.07022	11.0
119.04948	1.9
119.08577	25.1
121.06497	3.2
121.10124	25.3
123.08038	3.0
123.11721	5.2
125.09584	4.5
129.06992	7.7
131.08563	19.7
133.10138	14.6
135.08002	2.5
135.11670	9.1
137.09694	1.8
143.08595	3.9
145.10054	10.0
147.11662	15.0
149.09576	3.4
149.13255	4.7
155.08508	2.1
157.10133	9.8
159.11737	6.3
161.13208	3.1
165.12843	2.3
169.10165	2.9
173.13301	6.4
175.11172	11.2
175.14767	2.5
185.13280	2.4
189.11252	2.4
193.12233	39.3
211.13274	46.9
211.15176	3.2
227.12875	2.2
261.22073	6.4
267.15988	7.1
285.22177	2.1
293.21347	1.7
301.25272	5.1
335.25864	5.9
435.32639	3.9
453.33716	3.7
527.37537	17.4
545.38354	100.0
546.39185	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	545.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12430	0.9
53.00303	1.1
59.06087	1.2
69.03413	1.8
70.06583	1.1
70.20492	3.2
85.37604	0.8
87.05593	5.0
123.04432	2.2
139.03891	100.0
143.03357	0.9
147.04393	1.7
151.03894	13.4
153.01816	10.3
153.05466	2.0
163.03873	5.0
165.05478	12.1
177.05449	2.2
181.05025	2.9
196.06113	1.0
205.04932	1.7
236.19281	0.9
239.10229	2.4
289.07019	11.6
307.08035	2.7
315.08585	1.0
459.09158	2.4
545.19312	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03939	2.5
55.01876	5.0
55.05506	19.4
56.75432	0.8
57.03431	4.5
59.04987	1.3
65.03918	2.4
67.05138	1.7
67.05499	30.4
69.03420	1.7
69.07059	13.7
70.76319	1.2
70.76684	2.3
71.04967	2.4
71.08632	1.2
76.23013	0.8
77.03929	1.0
79.05490	27.8
81.03418	9.1
81.07049	30.8
83.04982	4.5
83.08615	9.4
85.06557	1.5
86.07875	0.8
91.05468	23.9
92.05833	0.8
92.64410	0.7
93.07038	21.6
94.86581	0.8
95.04951	6.9
95.08602	16.9
97.06499	4.3
97.10162	10.3
99.08089	1.3
103.05447	1.2
105.07017	20.6
107.04970	4.3
107.08584	13.7
109.06508	2.8
109.10152	10.8
111.08055	2.3
111.87000	1.0
115.05477	2.7
117.07029	12.7
118.16249	0.9
119.08564	17.1
121.06496	3.8
121.10146	7.2
123.08077	1.7
123.11723	2.8
125.09622	6.7
128.06224	3.3
129.07019	9.9
130.07787	0.9
131.04918	1.1
131.08562	20.4
133.06511	1.5
133.10120	10.4
135.08047	3.3
135.11685	4.4
137.09602	1.5
138.62076	0.8
141.07002	2.7
142.07762	2.1
143.08562	12.6
144.09393	1.1
145.06483	2.5
145.10106	18.9
147.08054	2.6
147.11696	7.3
149.09613	3.3
149.13254	3.1
151.11174	1.1
153.07051	0.9
153.09161	1.5
154.07681	1.5
155.08534	7.4
157.06493	1.7
157.10106	12.4
159.08060	3.6
159.11678	13.4
161.09633	2.4
161.13258	3.7
163.11220	3.1
165.07034	1.5
167.08612	2.7
169.10115	8.8
169.83723	0.9
171.08080	2.3
171.11658	8.7
173.09618	3.2
173.11922	1.4
173.13196	5.3
175.11215	2.8
175.14760	1.2
177.12761	1.3
179.08568	1.5
181.10129	4.3
183.08040	1.1
183.11740	6.9
185.09668	2.4
185.13237	6.9
187.11197	3.1
187.14825	3.1
189.11163	4.2
193.10225	1.8
193.12270	2.2
195.11736	3.2
195.13766	1.1
197.09616	1.1
197.13251	4.7
199.11270	1.6
199.13159	1.3
199.14789	4.3
201.12749	1.8
201.41225	0.9
207.11751	1.9
209.13293	3.6
211.14893	2.7
213.12769	1.7
213.16429	2.2
215.14357	1.0
223.14793	2.4
227.12755	3.1
229.14166	1.0
233.15350	1.0
239.18079	1.0
241.15904	1.2
241.19504	1.2
243.15958	1.2
247.14774	1.3
257.18997	2.1
259.20572	3.2
265.19516	1.4
267.15912	2.3
273.18600	1.0
275.20212	4.9
277.21677	1.5
283.20508	3.8
287.16452	1.2
289.75058	0.9
297.18771	1.0
297.22113	2.7
299.20511	1.3
299.23727	5.7
301.21646	1.0
307.20380	1.0
311.20169	1.4
325.21616	1.3
335.23425	1.0
339.23114	1.4
353.24591	0.9
357.24173	1.3
380.51077	1.0
387.01102	0.9
393.82947	1.0
405.31577	1.3
415.29947	2.6
423.32620	2.1
427.47940	0.9
431.27911	1.1
433.30933	9.3
451.32108	12.8
469.33209	6.7
487.33969	1.1
489.33380	1.0
499.33929	0.9
507.34448	1.8
515.37427	1.9
525.28241	1.5
525.35736	21.0
543.36749	100.0
544.37177	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	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01858	2.8
55.05509	14.9
57.03424	3.6
57.07064	1.2
59.04997	1.5
65.03928	1.7
67.05501	26.6
69.03417	1.7
69.07064	10.6
69.39631	10.3
71.04986	1.6
79.05487	19.1
81.03396	6.6
81.07052	25.0
82.96044	0.8
83.04974	2.9
83.08607	8.9
85.06524	1.6
91.05473	17.4
93.07040	17.1
93.22273	0.9
95.04954	3.6
95.08614	13.1
97.06519	2.6
97.10155	7.6
105.07017	15.4
107.04940	2.8
107.08579	11.4
109.06511	2.2
109.10135	9.2
111.08050	2.6
115.05461	1.6
116.04214	1.0
117.06997	12.8
119.08566	12.4
121.06508	2.9
121.10146	5.5
123.08029	1.1
123.11678	2.4
125.09627	6.1
127.00420	0.9
128.06232	1.6
129.07004	7.3
131.08545	13.0
133.10121	9.3
135.08052	3.3
135.11699	4.2
137.09615	1.2
141.07008	3.4
142.07805	1.6
143.08560	10.5
145.06491	2.5
145.10124	13.9
147.08034	1.8
147.11679	6.8
149.09644	2.9
149.13254	2.8
154.50084	1.0
155.08580	7.1
157.10106	10.4
159.08060	3.0
159.11682	9.2
161.09668	1.1
161.13277	3.1
163.11159	1.1
166.07889	1.1
167.08577	2.4
169.10139	6.1
171.08044	1.5
171.11655	6.9
173.09631	2.7
173.13184	5.1
175.11211	1.7
175.14714	1.2
177.12747	1.5
179.14261	1.9
179.66818	0.9
181.10135	3.4
183.11642	5.7
185.13286	4.3
187.11145	1.8
187.14845	2.2
189.11215	2.8
193.10217	2.1
193.12233	2.3
195.11702	4.0
197.09686	1.5
197.13281	4.3
199.11241	1.4
199.13135	1.0
199.14839	3.3
201.12726	1.9
207.11882	1.3
209.13313	2.4
211.14879	2.0
213.12759	1.3
217.19366	1.0
221.13228	1.8
223.14847	1.3
225.16367	1.3
227.12776	3.5
229.14357	1.5
231.98343	1.1
235.14934	1.1
239.17924	2.2
257.19070	1.4
259.20590	3.1
267.15878	2.1
275.20105	3.7
277.21713	1.6
283.20651	2.6
297.21982	2.1
299.20612	1.6
299.23648	5.3
313.44254	1.1
327.22974	1.7
333.24380	1.6
339.23013	1.3
357.24591	1.2
415.29700	1.2
423.32623	2.1
433.31186	7.4
451.31976	9.7
469.33218	2.6
487.34622	1.3
499.33868	1.2
507.34753	1.6
515.36389	1.3
525.35699	18.1
543.36786	100.0
544.36816	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	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
53.03944	9.1
55.01867	19.3
55.05246	1.7
55.05507	28.4
57.03427	6.3
57.07061	3.1
60.04701	1.3
65.03920	4.9
67.05498	75.7
69.03391	1.8
69.06699	2.8
69.07063	45.0
70.91097	3.0
70.91439	2.1
71.04984	5.0
78.04822	1.4
79.05486	72.9
81.03397	10.2
81.07050	100.0
83.04967	10.9
83.08609	12.6
85.06537	2.4
91.05471	65.7
93.07037	83.0
95.01314	13.6
95.04398	2.3
95.04964	20.1
95.08595	56.1
97.06521	34.5
97.10143	6.4
98.46466	1.3
99.08087	2.1
101.05980	1.2
102.95792	1.4
104.75245	1.4
105.04492	1.5
105.07019	68.2
107.04944	20.1
107.08588	38.6
109.06512	5.0
109.10133	11.6
111.04412	1.9
111.08076	6.6
115.05415	3.0
117.07015	22.2
119.08576	37.1
121.06505	5.0
121.10130	20.2
122.08315	1.5
123.04433	2.4
123.08015	2.8
123.11705	2.9
125.09650	3.5
129.06976	4.9
130.07756	1.3
131.08557	26.2
132.22108	1.4
133.10112	43.0
135.08029	4.6
135.11674	25.5
141.06973	1.5
143.08571	3.7
145.06476	2.5
145.10107	26.5
147.11674	14.7
149.09616	5.3
149.13243	16.3
151.11143	2.5
155.08563	2.5
157.10156	4.9
157.53542	1.5
159.08115	1.8
159.11714	14.6
161.13266	7.5
163.11168	21.3
169.10129	3.1
171.11691	5.9
173.13264	4.6
175.11276	2.1
177.12752	4.7
179.12823	2.9
179.14276	17.7
181.12227	3.8
183.11667	4.1
185.13280	1.8
187.11143	3.8
187.14832	1.7
195.13814	1.8
196.12466	1.3
197.13287	2.7
202.04509	1.3
205.12227	1.5
206.43756	1.4
219.17442	2.7
227.12782	36.0
229.19443	1.8
239.17992	4.2
247.20694	3.8
251.16489	2.1
257.19034	10.0
261.22141	2.9
275.20044	84.9
279.15894	1.6
293.21078	9.1
349.23917	1.6
451.31998	2.9
525.35736	3.0
543.36804	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	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01855	3.2
55.05501	14.0
57.03426	2.6
57.07057	3.1
65.03925	1.7
67.05496	35.0
69.03412	1.8
69.07059	11.9
69.55624	3.2
69.56052	5.3
71.04967	3.2
73.02921	1.5
74.27325	0.9
77.03907	0.9
79.05482	46.6
81.03406	4.2
81.07046	35.2
83.04975	3.1
83.08608	8.1
85.06544	1.3
91.05473	25.2
93.01824	0.9
93.07031	56.0
95.04964	8.4
95.08592	42.1
97.02876	2.6
97.06509	3.8
97.10145	2.4
99.04459	1.7
99.08112	1.2
103.05418	1.3
105.07016	20.4
107.04926	8.8
107.08578	33.0
109.06512	1.8
109.10135	5.3
111.08078	1.7
113.06004	1.1
115.05405	1.0
117.07006	12.6
119.08566	16.4
121.06498	6.5
121.10130	19.2
123.11676	1.3
125.05982	2.9
125.44183	0.8
130.07805	2.4
131.08540	7.1
133.10117	9.0
135.08049	2.6
135.11674	48.3
139.07484	1.6
145.10104	26.6
147.11685	3.7
149.13268	3.3
155.08481	1.1
157.10103	1.4
159.11682	2.9
161.13283	2.0
163.11166	50.4
163.14810	1.4
171.11665	1.0
173.13280	2.3
179.14240	1.2
181.12219	14.4
187.14911	1.0
209.11617	2.0
219.34085	0.8
227.12752	100.0
242.35754	0.8
243.21135	1.3
261.22156	6.3
275.20178	3.2
317.24722	1.9
516.17566	1.0
525.35901	2.5
543.36768	52.6
558.21399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03930	1.8
55.01866	2.4
55.05505	14.7
57.03447	3.3
57.07056	1.0
59.04984	1.1
65.03925	1.6
67.05497	24.8
69.03407	1.2
69.07057	9.4
70.20990	1.5
70.21381	1.2
71.04988	2.5
74.46661	0.6
79.05036	1.2
79.05487	20.3
81.03409	5.6
81.07049	25.1
83.04962	2.1
83.08614	8.2
85.02898	0.7
85.06543	0.7
91.05473	16.9
93.07037	18.1
95.04973	6.3
95.08594	12.9
97.06516	2.4
97.10167	7.9
99.08104	1.3
105.07021	17.6
107.04954	2.9
107.08594	10.8
109.06522	2.3
109.10134	9.6
111.08077	1.9
115.05421	1.3
117.07015	10.4
119.08561	12.3
121.06476	1.8
121.10142	5.5
123.08066	1.9
123.11694	2.1
125.09612	5.4
128.06166	1.6
129.07002	8.4
130.07762	1.3
131.08551	16.5
131.09477	1.0
133.06480	1.2
133.10103	10.1
135.08067	2.5
135.11684	3.3
137.09592	1.4
141.06984	2.7
142.07761	2.1
143.08549	9.3
144.09299	1.0
145.06474	2.7
145.10120	14.3
147.04501	0.8
147.08018	1.8
147.11665	6.7
149.09599	1.7
149.13274	2.8
151.11139	0.7
153.06987	0.8
154.07858	0.7
155.08539	5.0
156.09325	1.1
157.06430	1.2
157.10120	9.3
159.08049	3.3
159.11679	9.9
161.09625	1.5
161.13219	3.3
163.11188	1.8
165.12737	1.2
167.08624	2.0
168.09357	0.9
169.10086	7.0
171.08069	1.7
171.11674	7.1
173.09642	2.3
173.11823	1.3
173.13210	5.3
175.11221	2.3
175.14830	0.9
177.12724	1.1
179.08601	1.1
179.14270	0.9
181.10115	4.1
182.11006	0.7
183.08208	0.7
183.11719	5.5
185.09657	1.8
185.13240	5.6
187.11218	2.3
187.13216	0.8
187.14819	2.3
189.11240	3.0
193.10310	1.0
193.12311	2.5
195.11662	3.7
197.13260	3.4
199.11177	1.8
199.14830	2.9
201.12778	1.6
201.16336	0.8
203.14258	0.7
208.12512	0.7
209.13268	2.1
211.14842	2.1
213.16422	1.2
221.13268	1.0
223.14761	1.4
227.12695	2.5
233.15379	0.9
235.14798	1.2
237.16394	1.2
239.17979	0.7
241.16000	1.0
241.19437	1.4
257.19092	2.2
259.20563	2.0
267.15933	2.5
275.20068	2.6
277.21698	0.9
280.24002	0.7
283.20602	2.1
285.22275	0.8
297.18900	0.9
297.22183	2.5
299.20419	1.0
299.23599	3.8
301.21692	1.5
311.20163	1.0
313.21701	1.3
315.23337	1.8
325.21655	1.2
333.24603	0.8
339.23041	1.0
357.24216	1.0
365.16898	0.7
405.31683	1.0
415.30130	2.0
423.32706	1.7
433.30957	6.8
451.32141	10.3
469.33035	5.2
487.33881	1.0
489.33310	1.2
507.34491	2.2
515.36865	1.4
525.35699	19.7
543.36768	100.0
544.37006	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	543.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67836	0.6
53.60757	0.5
58.89555	0.6
69.03415	0.8
69.48841	2.2
69.49271	4.1
73.70270	0.6
77.94945	0.6
85.02876	0.9
97.02905	0.7
127.03916	1.0
140.63264	0.6
173.03008	0.6
182.75200	0.5
194.84937	0.6
245.05095	0.7
281.07086	1.2
363.07120	1.0
381.07874	17.2
543.13184	100.0
544.13629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47384	0.8
69.70541	5.0
69.70960	1.6
69.89726	0.8
70.06768	0.7
73.34458	0.8
82.24149	0.7
84.24802	0.8
91.60451	0.7
100.95867	0.9
113.33089	0.9
124.40675	0.8
129.27925	0.8
171.62320	0.7
217.50371	0.8
253.00946	0.9
267.63391	0.8
268.98227	1.5
381.07822	18.6
508.63757	1.1
543.13196	100.0
544.13654	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	541.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.6
55.01856	3.5
55.05242	1.5
55.05508	27.3
57.03426	3.2
57.07070	4.9
65.03934	5.9
67.05497	82.6
68.05846	1.0
69.03406	2.3
69.07058	20.1
69.46505	10.5
70.06585	1.9
71.04974	3.5
71.08610	1.9
77.03917	1.6
78.04716	1.1
79.05485	100.0
81.03402	9.7
81.07046	76.0
83.04974	11.3
83.08611	11.6
85.06525	3.1
88.07626	3.1
89.07926	1.3
91.05469	75.7
93.07036	90.1
95.04959	25.3
95.08597	50.7
97.06512	5.4
97.10160	5.2
99.08056	1.4
102.09186	1.7
103.05439	1.9
105.04523	2.9
105.07015	50.2
107.04939	5.7
107.08584	38.2
109.06502	6.5
109.10134	11.9
110.00825	0.9
111.08073	2.5
115.05486	2.2
117.07007	17.0
119.08567	29.0
121.06502	2.0
121.10133	23.0
123.08057	6.9
123.11729	2.5
127.07553	1.3
128.06184	3.3
129.06996	16.5
130.07791	1.8
131.08556	16.0
133.06479	1.7
133.10114	17.5
135.08087	1.0
135.11676	12.7
137.09602	1.2
141.06972	1.9
143.08536	11.5
145.10110	19.1
145.76178	1.0
147.08057	1.7
147.11668	37.5
149.13257	4.7
155.08554	3.5
156.09279	1.1
157.10117	3.1
159.11656	6.6
161.09610	3.1
161.13258	14.3
163.14888	1.7
169.10146	3.9
171.11671	25.9
171.13075	1.7
173.13251	6.1
175.14870	1.8
183.11716	3.2
185.13248	3.0
187.14774	2.7
189.12714	7.2
195.11781	1.1
197.13310	1.3
199.14784	1.3
201.16402	1.9
207.11832	1.9
207.13776	26.4
207.15648	1.6
209.13345	1.1
211.14870	1.4
225.14862	2.9
256.26331	3.9
257.26578	2.3
261.22092	4.5
281.17450	2.1
284.26645	1.2
311.29483	3.8
312.29813	3.1
315.43243	1.0
317.24588	1.7
449.34277	4.4
467.35391	3.1
523.37921	2.2
541.38837	74.4
541.53021	14.2
542.38831	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	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.0
52.51392	1.0
53.03947	8.0
53.85773	1.3
55.01858	2.9
55.05510	28.9
56.28587	1.3
56.64608	1.3
57.03425	2.3
57.07065	5.1
60.35041	1.1
61.51311	1.0
63.60885	1.1
65.03930	6.3
67.05500	82.2
69.03410	2.7
69.07064	20.0
70.92480	4.0
71.04986	3.6
71.08611	1.8
73.06537	1.6
77.03905	1.6
79.05487	100.0
80.69289	1.1
81.03401	8.3
81.07049	67.9
81.42574	1.2
82.07386	1.9
83.04975	13.4
83.08610	9.3
85.06540	3.0
89.06002	1.2
91.05473	71.0
92.05813	1.5
93.07037	90.7
95.04958	25.3
95.08598	44.3
97.02927	1.7
97.06552	6.5
97.10168	4.6
99.08095	1.5
103.05460	2.7
105.04520	3.0
105.07021	45.8
107.04959	5.3
107.08585	33.6
107.91402	1.2
109.06493	7.2
109.10160	11.9
111.08092	2.6
115.05431	2.4
117.07027	13.9
119.08571	28.3
121.06493	2.5
121.10135	19.9
123.08054	5.4
123.11700	2.0
125.09587	1.9
128.06192	3.6
129.06998	18.5
130.07809	1.4
131.04909	1.5
131.08548	11.2
133.10117	15.2
135.11679	11.0
137.09599	1.5
143.08534	11.6
145.10139	14.4
147.08075	2.2
147.11681	32.4
149.13280	4.2
155.08580	1.7
157.10107	2.6
159.11694	5.6
161.09621	4.0
161.13235	15.1
163.14803	1.8
167.03407	1.3
169.10100	3.1
171.11668	23.0
173.13202	2.6
181.10036	1.9
183.11732	3.6
185.13254	1.7
187.14752	2.4
189.12743	9.6
196.25563	1.2
197.13165	1.4
199.14822	1.8
207.13802	21.9
225.12340	1.4
225.14752	2.3
256.26428	1.7
257.26730	1.9
261.22128	4.9
281.17273	1.4
431.33325	1.6
449.34091	2.9
467.35330	1.7
523.38068	2.6
541.29309	10.9
541.38867	79.6
541.53674	8.3
542.29865	1.4
542.38727	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	541.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.1
55.01873	13.1
55.05507	24.4
57.03435	9.3
65.03928	4.6
67.05501	58.8
69.03415	2.2
69.06690	2.3
69.07063	38.0
69.69547	1.0
71.04977	4.7
79.05489	53.2
81.03413	100.0
81.07050	61.4
83.04974	12.7
83.08611	18.6
85.02921	1.3
85.06521	3.0
91.05474	76.9
93.02261	1.1
93.07039	43.0
95.01325	14.2
95.04964	32.7
95.08011	2.4
95.08598	41.1
97.02898	3.1
97.06523	21.0
97.10133	6.1
98.78133	1.1
99.04436	1.6
99.08053	1.6
103.05428	1.5
105.03389	1.0
105.07021	82.4
107.04949	29.7
107.05673	1.6
107.08583	23.4
109.06503	8.4
109.10151	10.8
111.04424	2.1
111.08054	7.3
113.09660	1.4
115.05444	4.8
116.06241	1.4
117.06189	1.3
117.07014	22.0
119.04929	2.2
119.08567	50.8
121.06493	6.8
121.10142	12.6
123.04420	2.7
123.08054	4.8
123.11697	3.0
125.09628	3.4
128.06203	3.5
129.06987	15.4
131.04895	1.4
131.08559	34.8
133.06497	3.5
133.10120	51.1
135.08052	5.1
135.11635	8.9
137.09601	5.3
141.06984	3.4
142.07797	3.4
143.08545	7.1
145.06462	4.4
145.10130	22.9
147.08066	5.4
147.11671	22.7
149.09595	11.3
149.13229	5.7
151.11168	2.7
155.08572	3.5
157.10136	12.1
159.08052	2.3
159.11688	15.7
161.09599	2.2
161.13260	5.8
163.11180	5.3
163.14830	1.5
165.09123	2.8
165.12738	2.2
167.08580	1.3
169.10130	6.4
171.11720	5.6
173.09625	1.4
173.13245	4.1
175.11151	7.9
175.14847	1.9
177.12755	4.0
179.14304	20.6
181.10081	1.3
183.11749	3.5
185.13280	2.8
187.11171	5.2
187.14742	1.5
193.12224	16.2
195.13765	1.7
197.13280	3.8
201.16319	1.8
205.12280	2.7
215.17986	1.9
219.17433	24.5
221.13358	1.3
223.13237	1.3
229.19514	2.9
239.17926	3.6
241.14360	2.6
247.20496	2.7
249.14871	4.7
253.19870	1.1
257.19037	9.3
267.15979	2.3
271.09644	1.9
275.20050	99.2
279.15839	1.6
293.21097	9.9
331.22672	1.1
349.23746	4.8
401.03268	1.1
431.29150	1.5
449.30600	3.1
467.31589	2.7
523.34131	2.7
541.35217	84.5
542.35529	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	541.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.1
55.01873	12.2
55.05506	24.9
57.03426	5.1
65.03925	3.4
67.05496	55.5
69.03408	2.8
69.07059	31.9
69.99804	8.5
71.04955	3.6
73.06550	1.4
79.05031	2.5
79.05489	48.4
81.03413	100.0
81.07050	60.9
83.04983	12.3
83.08610	22.6
85.06544	4.1
91.05471	75.8
93.07039	40.8
95.01324	15.7
95.04961	34.2
95.08598	41.9
97.02878	2.4
97.06516	16.7
97.10145	5.9
101.44070	1.7
103.05460	3.0
103.79352	1.4
105.04501	2.3
105.07022	85.6
107.04950	27.6
107.08588	21.3
109.06513	7.5
109.10143	8.5
111.04464	2.1
111.08063	5.9
115.05418	3.8
117.06998	20.2
118.83616	1.3
119.04971	2.4
119.08575	48.9
121.06509	7.8
121.09324	2.1
121.10117	14.0
123.04378	1.9
123.08064	5.3
123.11691	2.6
125.09676	3.0
128.06248	2.9
129.07007	17.4
130.07848	2.1
131.08565	30.9
133.06487	3.8
133.10123	49.2
135.08054	3.3
135.11679	9.2
137.09622	4.3
137.36598	1.5
139.07495	1.4
141.06932	1.7
142.07782	4.7
143.08543	5.4
145.06511	2.4
145.10103	19.7
147.08012	4.1
147.11682	21.1
149.06071	1.7
149.09621	12.8
149.13263	4.3
150.36006	1.5
151.11212	2.7
155.08553	3.3
157.10144	8.9
159.11649	12.7
161.13216	7.8
163.11201	6.6
165.09070	3.2
165.12709	1.7
169.10153	3.2
171.11697	3.2
173.13289	3.5
175.11238	7.9
175.14784	1.6
177.12730	7.3
179.14282	21.9
183.11667	3.8
185.13312	2.2
187.11172	4.6
193.12209	15.7
195.13695	1.9
197.13274	3.2
205.12265	2.2
219.17363	2.2
229.19463	2.0
233.15408	2.6
239.17979	3.6
241.14284	2.1
247.20561	2.8
249.14851	3.8
257.18979	7.4
267.15829	2.5
273.54727	1.5
275.20044	87.7
293.21014	9.6
325.19003	1.9
349.23795	4.4
386.67404	1.6
449.30563	1.9
470.07050	1.5
541.35223	62.3
542.35706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69431	0.6
55.01868	2.3
55.05511	1.2
64.51270	0.5
64.94193	0.6
65.03922	1.4
67.01859	0.8
67.05492	1.6
70.84106	1.7
79.05476	1.7
81.07043	1.7
83.01345	3.2
83.04988	0.8
91.05473	100.0
93.07059	1.6
95.08609	0.7
97.10174	0.8
103.05439	0.7
105.03368	0.9
105.07028	5.9
111.04444	1.3
115.05446	7.4
117.07008	38.8
119.08562	0.7
121.10198	0.8
127.03857	0.7
129.06996	2.2
131.04933	0.7
131.08559	1.9
133.10101	0.9
136.52443	0.6
139.03885	21.8
141.06923	0.8
147.04413	0.9
148.27832	0.7
155.03348	2.1
157.06448	0.7
159.07869	0.6
159.11722	0.6
161.05907	0.7
167.03391	13.3
168.04137	1.6
169.06445	1.0
169.09999	1.3
178.07860	0.6
179.03357	4.0
179.08560	1.8
180.04163	6.0
181.04950	6.9
185.04420	2.8
185.05884	0.8
193.04922	2.9
195.02939	1.1
197.09564	2.0
207.08102	1.3
215.03487	0.8
217.04779	0.8
225.09058	3.8
235.05968	5.7
243.06459	1.2
243.10179	0.9
253.08598	10.6
271.09625	86.6
272.10043	1.2
275.20309	1.0
283.79678	0.8
315.04837	1.0
339.12234	2.8
419.11224	1.5
437.12460	0.8
541.35388	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	541.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.5
53.03939	10.0
55.01872	15.4
55.05505	25.7
56.18281	1.3
57.03434	7.5
57.07062	2.0
61.89925	1.1
65.03931	4.0
67.05499	53.9
69.03434	3.5
69.07063	39.2
70.88806	4.0
71.04980	3.4
76.63042	1.3
78.73843	1.3
79.05488	50.0
81.03413	100.0
81.07052	69.4
83.04974	13.8
83.08620	20.1
85.02892	1.5
85.06538	4.0
91.05474	81.7
93.03461	1.4
93.06440	2.4
93.07040	49.1
94.96615	1.3
95.01321	14.7
95.04961	35.9
95.05533	2.6
95.08598	37.3
97.02890	3.1
97.06520	20.3
97.10152	8.1
99.08074	1.9
103.05463	3.0
105.07023	75.4
107.04950	33.0
107.08586	21.0
109.06524	7.3
109.10165	14.2
111.04442	2.6
111.08081	7.5
113.09657	1.6
115.05470	4.5
117.07024	21.2
119.04943	2.3
119.08576	46.6
119.09436	2.6
121.06524	5.2
121.10133	13.3
123.08083	6.6
123.11736	3.0
125.09625	4.7
128.06213	3.9
129.07001	17.7
131.04906	1.6
131.07567	1.7
131.08560	32.3
133.06496	6.4
133.10121	44.2
135.08057	6.2
135.11673	11.0
137.09624	5.2
141.07028	4.1
142.07796	5.1
143.08553	7.8
145.06483	4.7
145.10101	22.1
147.08044	4.0
147.11693	21.4
149.09595	13.3
149.13272	5.2
151.11163	2.3
155.08583	5.0
157.06435	2.1
157.10110	13.5
159.08127	2.2
159.11690	14.4
161.09627	2.8
161.13284	5.2
163.11250	3.9
165.09149	3.2
165.12784	2.7
167.08501	2.0
169.10143	6.2
171.08011	1.7
171.11710	7.2
173.09659	1.4
173.13313	5.3
175.11183	7.2
177.12798	4.8
179.08769	1.6
179.14304	16.3
180.25024	1.3
181.10167	2.7
183.11720	5.7
185.09694	1.7
185.13264	3.0
187.11200	5.8
187.14806	1.7
193.12227	13.5
195.11589	1.4
195.13837	1.5
197.13290	3.0
201.12685	1.7
201.16327	1.5
205.12250	3.0
211.14841	2.0
219.17395	14.0
229.19516	2.5
239.17880	3.1
241.22084	1.3
247.20583	1.5
249.14865	3.9
257.19019	8.3
267.15967	2.6
271.16696	2.0
275.20053	88.1
276.20575	1.6
281.18787	1.5
293.21042	8.4
299.19821	1.5
349.23776	3.3
431.29263	2.8
449.30548	5.6
467.31580	4.2
485.32498	1.8
499.10593	1.7
513.11810	1.9
523.34308	4.4
541.11621	9.4
541.35272	84.8
542.11987	1.6
542.35522	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
56.96560	43.2
57.03431	0.9
58.77948	0.3
61.02916	1.8
68.96555	0.4
69.03422	3.4
70.05811	1.8
71.04969	0.5
71.95258	1.1
73.02922	0.6
74.97609	1.1
77.73718	0.3
81.03413	1.8
84.03698	0.3
84.96027	12.9
85.02897	9.1
86.13570	0.3
87.04460	0.5
91.03947	0.6
97.02887	4.6
97.96791	0.4
98.97573	60.3
99.04433	0.6
102.97066	2.7
109.02881	1.0
110.96863	0.3
110.97555	14.2
112.99136	2.8
116.98611	46.1
117.74921	0.3
120.98096	0.9
124.99123	1.2
126.97105	0.4
127.00674	0.5
127.03880	2.0
128.98592	29.3
131.00157	7.0
131.01926	0.4
134.98581	0.8
134.99644	25.2
140.00168	2.2
140.98552	2.4
143.00143	8.5
144.98080	2.7
145.04962	1.7
146.99634	27.5
149.01207	5.6
152.00233	1.0
152.98618	0.9
153.00688	2.7
153.01842	1.1
157.01717	0.6
158.01247	1.8
158.99648	8.5
161.01208	24.7
162.99124	4.2
164.98592	1.0
165.00705	4.9
167.02228	0.7
168.98083	0.6
170.01241	1.0
170.99637	6.7
173.01237	0.9
173.02960	0.3
174.99098	0.9
177.00703	12.5
179.02263	8.7
181.00183	0.8
182.01216	0.6
182.99623	3.7
184.02826	1.2
186.99107	1.4
189.00699	10.8
190.96411	0.4
193.00198	0.6
195.01723	2.2
198.99185	1.1
200.02338	0.9
201.00673	19.5
205.00197	0.7
207.01784	2.9
208.97490	3.8
212.02296	1.0
212.97054	0.4
213.00620	0.4
214.98648	1.4
217.00111	0.6
219.01738	53.2
220.02232	0.5
224.02347	0.6
225.02849	0.9
226.98514	9.1
227.00391	1.6
229.00006	0.4
230.98062	0.8
232.99588	0.7
237.02798	84.3
239.03345	0.3
241.00186	0.6
242.03369	3.6
243.29785	0.3
243.98952	0.5
244.99661	40.3
246.04106	0.4
250.00198	0.6
253.00192	1.1
255.03831	5.7
259.01224	1.0
260.04358	4.2
263.00726	57.7
264.01248	0.6
268.01279	3.2
268.99329	1.6
271.01071	0.6
277.02191	0.6
281.01648	1.0
286.02307	2.3
287.00739	16.1
299.04111	0.4
301.02283	0.9
304.99222	1.6
305.01764	4.0
309.02646	0.4
310.02316	1.6
311.00601	4.4
313.02145	2.2
317.01730	1.3
323.00681	17.0
327.03925	1.1
329.01807	3.4
331.03281	2.2
341.01779	5.6
345.04749	0.4
346.02200	1.6
347.02829	0.5
352.03394	0.3
353.02359	3.3
353.08984	0.7
355.05130	0.7
359.02814	1.5
371.02805	54.4
372.03137	0.7
389.03867	100.0
390.04221	1.2
394.04700	0.7
397.01050	0.5
407.04907	1.4
412.05481	12.6
413.05493	0.5
415.01785	1.2
439.01526	1.6
479.29556	0.4
524.60516	0.4
541.05011	2.0
566.08221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18680	1.9
69.03403	2.7
70.47035	3.7
70.47449	6.7
85.02895	7.7
86.09698	5.4
91.05467	9.7
95.04980	3.7
97.02885	3.5
97.19143	1.9
98.20768	1.9
103.05486	3.1
107.04950	8.0
109.02917	2.0
110.07178	3.8
119.04935	9.6
121.06488	4.6
122.03619	2.2
123.04420	2.3
128.06223	2.9
129.07013	8.2
131.04912	4.1
131.08551	2.5
135.08029	2.5
137.05972	45.5
139.03914	16.8
140.04207	2.9
147.04434	2.4
149.05945	10.7
151.03894	4.8
151.07541	64.3
153.01877	2.3
157.06497	8.3
159.08076	2.6
161.06007	7.3
163.07536	14.4
165.09148	3.8
167.08591	6.6
169.06493	2.8
174.06761	5.8
175.07547	5.3
177.09082	3.7
189.09108	31.1
193.06509	3.1
193.10110	2.8
195.07993	12.3
201.09160	3.2
207.10181	4.7
209.09697	2.4
210.06799	2.1
219.08093	2.3
219.10162	35.8
221.05962	4.0
221.09654	3.5
223.07578	5.5
224.08122	2.7
225.09055	4.3
227.10634	25.1
249.09021	3.3
253.08661	7.6
253.12280	8.0
255.10098	19.8
267.10205	3.3
281.11673	3.5
285.11230	12.5
287.12781	34.5
313.14331	34.5
331.15408	100.0
492.75955	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	540.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01864	0.3
57.03436	1.0
57.82380	0.1
59.04984	0.2
61.02918	0.1
67.05481	0.2
68.50305	0.1
69.03425	3.8
71.19110	0.3
73.02882	0.1
77.03931	0.1
79.05486	0.9
81.03407	0.2
85.02901	2.6
87.04463	2.8
95.04952	1.1
95.90897	0.1
97.02882	3.5
105.04498	0.2
105.07047	0.1
107.04947	100.0
108.05303	0.9
115.03923	4.0
119.58002	0.1
121.06493	0.4
123.04426	0.2
127.03892	0.3
133.04964	4.1
135.08057	0.2
137.06003	0.2
139.03867	1.1
145.04958	0.4
145.06435	0.2
147.08078	0.2
149.05992	0.6
150.07608	1.3
151.03908	0.2
157.06454	0.2
161.05948	0.2
163.03940	0.2
175.07579	0.2
175.72617	0.1
176.14217	0.1
203.07039	0.5
221.08028	0.2
229.08589	0.5
239.09193	0.2
259.08066	0.2
295.10327	0.1
298.93646	0.2
376.02924	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	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34657	0.7
55.01859	1.4
56.70744	0.7
57.03417	1.1
61.02918	1.1
62.80317	0.7
67.05521	0.9
69.03413	1.9
69.53175	7.3
71.04987	1.3
81.03390	1.7
81.07054	2.1
85.02896	7.5
91.05479	8.8
95.04949	2.8
95.08633	1.6
97.02879	2.5
103.05415	1.7
105.07014	1.5
107.04942	3.3
109.02863	1.1
109.06458	1.1
117.06977	1.0
119.04938	5.9
119.08591	0.9
121.06518	2.2
122.03632	2.4
123.04479	1.0
129.07005	5.2
131.04924	3.6
133.35411	0.9
135.08051	2.6
136.05193	1.3
137.05962	35.9
139.03917	4.2
141.49701	0.8
145.04962	1.6
145.06432	1.2
149.05966	6.0
151.03935	5.7
151.07530	50.8
152.04240	1.2
152.06096	0.9
157.06491	4.4
159.08038	0.9
161.05960	7.1
161.09604	1.4
163.07545	11.4
165.06949	1.4
165.09067	1.8
167.08562	3.8
174.06747	2.8
175.07524	3.7
177.09038	4.8
178.07748	1.8
189.09099	15.0
193.06447	2.1
193.10130	2.2
193.15974	1.1
195.08029	9.2
197.05888	1.0
206.07193	1.2
206.39012	0.9
207.10213	3.3
209.07945	1.4
210.06691	1.5
211.16920	3.4
212.08241	2.0
219.10251	2.6
220.10550	1.9
221.05943	3.5
221.09630	3.1
223.07513	4.0
224.08177	1.3
225.09064	2.6
227.10643	15.3
229.08646	1.1
238.06055	1.8
239.06931	1.1
239.10638	1.0
240.07797	1.2
249.09044	3.8
252.07584	0.9
253.08571	6.2
253.12242	7.5
255.10146	13.4
267.10181	3.3
269.07983	1.7
272.10504	1.9
281.11646	2.9
284.10092	1.0
285.11197	10.1
287.12784	25.2
299.12939	0.9
301.14374	2.1
313.14301	25.6
331.15366	100.0
332.15640	1.9
343.15372	3.8
380.30377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01870	1.8
55.05273	1.8
55.05508	19.8
57.07073	63.2
61.02918	1.5
65.03927	2.8
67.05499	76.7
69.03401	1.4
69.07063	17.2
71.04989	69.1
71.08627	45.2
79.05486	27.3
81.03343	1.3
81.07051	98.6
83.04985	12.4
83.08612	24.0
85.06541	9.0
85.10171	24.6
91.05473	48.9
93.07034	25.2
95.04965	3.1
95.08009	2.8
95.08599	44.2
97.06506	6.7
97.10172	9.1
98.21439	2.4
99.08058	1.6
101.06015	1.4
104.64885	1.3
105.07027	23.9
107.08586	16.9
109.06512	2.6
109.10149	23.4
111.04346	2.1
111.08084	3.1
111.11692	1.9
112.30309	1.2
117.07014	5.6
121.10101	7.3
123.11697	29.1
125.13208	2.1
131.08553	6.8
133.10126	28.7
135.08081	1.3
135.11653	5.5
137.13266	2.9
149.13248	11.2
151.11177	19.3
157.41855	1.3
159.11707	9.8
177.12730	5.5
183.13785	24.8
187.13301	3.5
195.13814	6.6
227.16414	2.9
239.23625	11.3
257.17487	2.0
269.17502	4.7
283.18961	6.1
285.17026	6.0
313.27509	4.3
327.28986	3.0
339.28918	3.2
341.26776	6.4
495.40393	42.2
507.40234	3.7
539.43060	100.0
540.43756	2.7
551.26605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
57.03410	0.9
61.02925	8.6
69.03407	1.5
71.70545	1.4
73.02895	2.6
74.06071	1.8
79.01855	2.7
84.04492	1.1
84.95242	1.2
85.02888	6.5
91.03948	3.6
96.04504	1.0
97.02895	5.9
100.12418	0.9
107.01266	1.2
109.02903	2.1
121.02863	1.4
123.00800	0.9
123.04495	1.0
125.02345	3.7
127.03876	2.2
135.04442	2.2
136.39612	1.0
137.02357	2.8
139.03896	1.6
143.03395	5.5
150.05452	1.0
151.03915	1.8
153.01817	100.0
161.02272	1.2
162.05481	2.0
163.03862	3.3
165.01820	2.9
166.04968	1.6
167.03323	1.2
168.06586	1.2
178.04922	1.7
179.03346	3.6
180.06505	3.0
181.04973	1.7
191.03392	2.7
194.04489	3.4
195.02844	1.3
199.03951	1.8
205.04971	1.0
206.04376	1.9
207.02946	3.0
208.06088	5.4
209.04391	9.2
213.05457	2.3
217.04942	3.0
220.06140	1.1
221.04562	1.1
229.04926	1.8
231.02965	1.7
231.06601	1.7
233.04462	1.6
241.04936	3.2
243.06573	1.1
244.03796	1.1
245.04407	4.7
258.07584	1.2
259.06125	2.2
261.03888	1.5
269.04340	6.6
273.03955	3.0
274.07037	1.9
286.07162	2.6
287.05475	3.8
289.03384	4.1
291.04855	2.3
293.79135	0.9
296.05539	3.6
297.03851	5.1
299.05588	1.3
301.03436	2.3
314.06625	5.5
315.04782	5.9
316.08264	1.4
317.02853	3.7
317.06549	2.7
319.04456	33.9
324.04587	1.1
325.03378	1.3
331.11612	1.1
332.07669	10.7
333.05905	2.2
335.03876	4.3
342.06012	8.4
343.04459	52.0
360.07104	64.8
361.05417	26.3
377.07568	1.2
378.08160	22.5
445.28198	1.0
518.59857	1.0
522.12555	1.5
540.13361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07888	1.4
53.03942	2.7
55.01859	2.3
55.05508	18.8
56.02668	1.4
57.03424	3.1
57.07071	64.1
59.04999	1.6
61.02927	1.3
65.03926	2.7
66.76810	1.1
67.05501	68.6
69.03418	2.5
69.07058	17.2
71.04988	67.9
71.08624	41.4
73.02898	2.4
79.05492	23.7
81.03427	1.9
81.07050	100.0
83.04977	13.3
83.08611	23.8
85.06531	9.1
85.10173	21.4
89.06022	3.8
91.05475	40.4
93.07038	25.1
93.43140	1.1
95.04958	5.9
95.08594	42.9
97.06529	7.6
97.10162	10.5
99.08097	2.0
105.07019	21.0
107.08588	17.4
109.02846	1.5
109.06513	1.6
109.10149	24.2
111.04436	1.9
111.08081	3.1
117.07014	6.8
119.08545	1.4
121.10122	7.1
123.11697	23.4
125.09584	1.3
127.03917	2.2
131.08537	7.2
133.08609	2.0
133.08966	1.3
133.10117	28.5
135.11667	6.8
137.13272	4.2
149.13234	8.3
151.11162	17.8
159.11694	7.8
167.14418	1.4
177.12778	5.2
183.13808	23.4
187.13333	5.7
195.13774	7.8
201.14841	1.7
213.15001	2.0
227.12831	1.8
227.16469	2.0
229.72188	1.7
239.23674	14.3
257.17520	2.3
267.15753	1.2
269.17566	3.6
283.19025	3.8
285.16928	5.9
313.27438	4.7
339.28961	4.0
341.27023	6.4
420.96967	1.3
427.23523	1.5
470.66425	1.1
495.40402	39.1
507.40439	2.0
539.43109	96.3
540.43414	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	539.394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98498	6.8
55.01864	13.1
55.05501	44.5
57.03427	18.3
57.07076	67.3
58.55740	5.9
67.05500	72.7
69.03432	11.3
69.07056	29.1
71.04982	16.3
71.08637	49.7
71.28634	6.0
71.73160	10.1
79.05483	60.1
81.03416	8.5
81.07045	81.4
83.04964	16.2
83.08624	43.3
85.10185	33.5
88.82449	6.3
91.05481	32.2
93.07037	51.9
95.04961	18.6
95.08617	60.5
97.10166	19.5
105.07015	22.2
107.04983	10.8
107.08577	23.7
109.02889	10.9
109.06513	8.0
109.10175	23.5
111.04446	16.7
117.06998	11.9
119.08611	12.2
121.10134	17.0
123.11687	8.5
131.08566	11.6
133.10072	13.2
135.11690	45.2
143.08554	11.0
145.10124	27.4
163.11223	50.8
181.12206	18.4
191.00006	6.7
203.10426	7.3
209.11696	42.7
227.12761	97.7
239.23724	21.2
283.15341	59.7
313.27313	100.0
313.30618	10.3
521.38586	54.0
539.28149	13.9
539.38867	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	539.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
53.16714	2.0
55.01856	8.3
55.05505	28.7
57.03419	9.0
57.06811	3.9
57.07071	59.5
64.66885	2.0
66.87646	2.1
67.05157	3.2
67.05499	48.9
69.03433	2.6
69.07064	19.6
71.04976	3.7
71.08627	41.9
71.70313	1.9
71.70733	2.6
79.05486	28.6
79.08236	2.6
81.03400	9.7
81.07050	50.1
83.04970	18.6
83.08609	19.6
85.02901	9.3
85.06570	3.5
85.10166	20.6
89.06010	4.6
91.05473	19.6
93.07031	29.6
95.04942	7.1
95.08595	44.9
97.02889	6.0
97.06524	7.8
97.10148	14.4
99.04429	4.2
99.11743	2.4
99.81734	2.3
105.07018	10.3
107.04932	10.8
107.08582	14.8
109.06478	2.2
109.10143	19.0
111.04447	35.0
111.08071	7.6
117.07013	9.7
119.08561	8.8
121.10139	16.4
123.08028	2.4
123.11661	10.3
125.09612	9.2
125.13276	2.9
129.07007	4.7
131.04861	2.6
131.08556	10.2
133.10118	3.4
135.11656	14.8
145.10098	14.5
147.08034	3.1
149.09624	6.5
153.12738	10.7
155.08546	2.7
163.11176	29.6
173.09631	9.2
181.12238	22.2
191.10667	21.8
199.13387	2.9
209.11722	56.6
209.13580	4.5
215.31966	2.1
227.12746	34.5
239.23700	13.5
265.14371	7.1
283.15363	44.5
313.27344	24.5
447.32657	4.0
521.38379	16.2
539.39398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66112	1.6
53.03933	4.2
55.01609	2.4
55.01868	41.8
55.05508	26.3
57.03172	1.5
57.03435	8.5
57.07072	80.8
59.04968	1.9
65.03928	2.8
67.05500	53.0
68.40446	1.4
69.03423	14.7
69.07059	21.8
70.04215	1.8
71.04977	4.5
71.08625	50.9
73.02896	5.5
79.05486	25.3
81.03415	8.4
81.07050	51.3
82.04187	6.6
83.04975	18.2
83.08616	30.1
84.05755	2.0
85.02897	3.1
85.06532	3.5
85.10178	26.0
87.04433	1.8
89.06013	6.1
91.05475	19.7
93.07040	20.1
95.04972	15.4
95.08598	50.1
97.02852	2.9
97.06511	13.1
97.10162	13.3
98.07310	10.1
98.21479	4.7
99.04459	2.3
99.08076	2.6
99.11732	2.4
105.07026	12.5
107.04946	4.6
107.08575	12.8
109.02878	2.4
109.06516	1.8
109.10155	25.0
111.04423	8.0
111.08057	7.3
111.11732	2.3
117.06998	3.6
119.08579	10.5
121.06455	2.1
121.10157	5.5
123.08021	7.5
123.11690	8.8
124.08886	1.5
125.09647	7.5
127.11163	5.2
128.70837	1.5
129.06975	3.0
131.08598	7.9
133.08578	2.3
133.10143	4.6
135.08044	4.2
135.11687	4.5
137.13214	4.8
145.10100	5.6
147.11653	6.4
149.09674	3.8
151.11270	1.5
151.14847	2.3
153.12689	1.6
157.10144	4.4
158.05812	8.2
163.11176	5.1
164.12027	1.8
171.06522	15.7
175.11156	2.6
181.12230	2.9
181.94333	1.6
185.08112	5.9
190.04820	1.5
191.10698	3.3
193.12170	2.6
199.09703	5.4
209.11696	15.2
213.11200	4.0
223.94560	1.8
227.12761	15.5
239.23680	13.5
241.14305	1.7
254.25244	1.5
255.16017	10.3
269.17523	4.8
283.15421	7.4
283.18900	3.8
297.20609	3.7
311.18808	2.7
311.22223	10.1
313.27411	12.5
317.78220	1.5
325.23840	1.8
354.27679	4.4
367.28458	25.0
374.78882	1.6
381.30048	4.2
386.90918	1.5
395.10913	1.9
395.31494	15.3
409.33286	5.2
423.34735	5.1
429.65543	1.6
437.36221	2.4
438.36929	10.6
451.34128	1.9
469.25183	1.6
499.70779	1.8
521.38165	6.4
539.39386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01862	31.7
55.05245	2.5
55.05508	33.2
56.61653	2.0
57.03415	7.5
57.07071	65.4
59.17994	1.8
62.92681	1.8
67.05499	49.9
69.03429	11.0
69.07067	24.7
69.85623	2.1
71.04980	5.6
71.08623	40.2
71.64375	2.9
73.02900	5.3
74.10440	1.8
79.05485	25.2
81.03425	9.2
81.07049	61.9
82.04182	5.1
83.04976	19.5
83.08619	28.9
85.02883	5.8
85.06522	2.1
85.10179	21.3
89.06006	4.8
91.05456	18.9
93.07037	24.5
93.70250	1.8
95.04954	11.5
95.08008	3.3
95.08601	41.3
97.02889	8.7
97.06547	9.6
97.10176	13.3
98.07304	8.0
99.04433	3.1
99.11700	3.3
104.90627	1.8
105.07008	11.9
107.04941	6.0
107.08585	14.8
109.06503	4.6
109.10151	21.2
111.04441	24.0
111.08080	4.7
111.11669	3.1
115.03915	2.2
117.07028	5.3
119.08551	8.7
121.10141	9.5
123.08044	2.8
123.11692	9.7
125.05909	2.1
125.09663	6.8
125.13251	2.1
127.11183	3.5
129.05545	2.0
129.06982	3.8
131.08565	5.8
133.10127	8.8
135.11702	6.9
136.08824	2.0
137.09560	2.8
137.13264	3.0
145.10101	6.9
147.11665	3.7
149.09695	3.1
151.11253	1.8
153.08893	1.9
157.10075	3.4
158.05774	5.7
163.11197	7.6
171.06474	10.0
173.09583	2.4
181.12138	2.7
185.08109	4.7
190.04984	2.1
191.10675	4.0
193.12398	2.6
199.09660	2.3
209.11711	100.0
213.11223	2.4
221.22609	2.0
227.12767	32.3
239.23705	11.0
245.13748	5.6
255.15967	8.2
283.15411	29.6
297.20813	2.9
311.18698	2.9
311.21918	9.5
313.27307	17.9
341.26733	2.8
353.26941	3.2
354.27496	2.5
367.28394	20.2
381.30075	3.9
395.31653	11.8
409.33038	2.9
423.34647	2.2
438.36905	6.1
472.57654	2.3
493.39209	2.6
521.38220	17.0
539.39392	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	538.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11828	1.1
55.01859	1.0
55.05507	1.6
57.03431	1.5
59.74113	0.9
61.02916	1.3
67.05519	1.0
69.03415	3.1
70.96035	2.3
81.03418	1.7
81.07042	2.2
85.02895	11.1
97.02888	4.3
107.04951	1.7
127.03944	1.3
133.06442	1.8
137.05951	2.5
139.03932	3.0
145.04953	3.1
145.06491	1.3
151.03946	1.7
153.01836	3.0
162.01033	1.0
163.03987	1.3
167.07062	1.3
174.76332	1.1
179.08517	1.8
181.06396	1.5
183.08093	2.4
195.08051	2.4
196.05185	2.3
197.05881	1.5
199.07558	3.9
207.08055	4.1
210.06793	3.1
211.07527	10.9
213.09146	1.9
219.08148	1.4
221.09669	3.0
224.08276	1.0
225.09045	5.5
226.06334	1.6
227.07022	7.9
235.07510	2.6
236.08282	1.2
237.09030	1.0
238.06261	2.3
239.07021	17.9
239.10724	2.0
240.07845	2.2
241.08504	8.0
249.08945	2.2
249.12750	5.2
253.08565	20.3
255.10225	1.3
256.07251	2.3
257.08014	6.6
259.09546	6.8
267.10181	5.5
267.13708	1.1
268.11041	1.4
271.09619	32.8
277.12244	6.8
280.11035	2.3
281.11768	2.9
281.15396	5.1
285.11215	4.7
291.13571	1.1
294.12436	1.2
309.14841	34.0
326.15063	1.2
341.17462	100.0
342.17902	2.3
359.18533	14.0
365.45435	1.0
426.41028	1.0
448.99521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32297	3.0
69.53486	32.0
76.46211	3.4
81.03405	5.4
81.06992	4.6
85.02900	8.4
97.02915	4.7
115.05470	5.8
122.03658	3.8
129.06960	5.0
137.05960	83.1
139.03871	9.1
142.33223	2.9
143.05000	9.1
144.19708	3.0
147.04352	3.0
151.03938	9.7
157.06494	4.9
160.05200	12.0
161.05956	5.6
163.03847	3.2
163.07555	5.4
175.07555	100.0
177.66235	3.1
187.07521	38.0
189.09116	9.0
205.08507	15.9
217.08543	3.2
235.09630	13.9
254.90784	3.4
255.06345	4.0
279.10043	4.6
291.10147	7.4
323.12677	8.1
341.13940	6.7
350.46640	3.6
538.42816	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	537.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01519	2.9
53.03934	9.3
54.55048	2.9
54.69577	2.7
55.01862	3.5
55.05510	25.0
57.03427	14.9
57.06816	2.8
57.07071	47.2
65.03933	4.4
67.05153	4.1
67.05496	61.3
69.07059	19.7
69.50837	17.6
69.51259	9.1
71.08627	34.1
79.05482	73.7
81.03405	10.8
81.07053	64.7
83.04963	14.5
83.08614	13.1
85.10168	13.3
85.16604	2.4
91.05468	59.1
91.05991	5.1
93.07037	73.2
95.04971	21.4
95.08606	40.9
97.06516	3.5
97.10130	7.6
97.95969	2.8
105.07024	35.5
107.04934	6.7
107.08583	14.9
107.68997	3.0
109.06503	4.8
109.10143	10.9
117.07017	8.2
119.08589	24.3
121.01147	2.8
121.10117	4.6
123.08086	4.5
129.06975	17.7
133.10106	9.3
143.08533	9.3
145.10100	14.0
147.08003	5.1
147.11671	41.1
161.09647	4.4
161.13258	13.6
171.11635	33.7
182.70531	2.6
183.09579	2.9
189.12688	13.2
192.11998	3.2
200.35612	3.4
207.13792	37.9
221.45497	3.2
225.14835	7.1
239.23737	5.5
281.15060	1.7
281.17453	66.5
313.27332	88.8
489.32751	2.9
494.66354	3.1
519.33014	5.9
519.40424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.3
55.05502	19.6
57.03434	24.8
57.07070	44.7
67.05499	59.2
69.07066	13.0
69.80824	50.2
71.04981	14.7
71.08631	29.1
73.82150	7.6
76.55860	7.5
79.05492	75.2
81.03419	9.1
81.07051	61.1
83.04945	11.8
83.08614	22.3
85.10178	16.4
87.10431	7.1
91.05466	57.5
93.07038	67.3
95.04967	26.8
95.08617	47.6
97.10156	8.7
105.07041	45.5
107.08559	18.0
109.10166	18.2
117.07037	8.0
119.08562	22.5
120.45972	7.1
121.10153	8.4
129.06992	13.4
145.10155	15.2
147.11679	46.4
161.13338	10.8
171.11702	24.4
189.12721	15.0
207.13850	27.9
281.17487	68.6
313.27411	62.2
491.46671	8.3
519.40424	100.0
537.41071	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
60.07324	0.8
61.02911	2.2
67.05495	1.3
69.03424	4.8
70.05455	2.0
70.05849	5.3
71.04990	3.8
81.03400	3.1
81.07037	3.0
85.02900	18.2
91.03987	1.5
91.05798	1.7
96.18967	1.0
97.02895	3.5
97.06516	3.0
98.21497	1.2
99.08086	38.0
99.08733	2.2
109.02857	1.3
120.08095	1.8
122.79195	1.0
127.03944	2.5
131.04912	1.3
131.79993	1.0
138.58836	0.9
142.54996	0.9
145.04953	3.9
147.23297	1.2
167.05640	1.2
167.08554	1.2
169.06499	2.3
171.07993	1.7
174.06862	1.0
178.07748	2.0
179.08554	3.4
181.06473	3.0
182.07196	1.7
183.03395	1.0
183.08122	2.0
184.05237	2.7
191.08609	1.3
193.04965	2.1
193.10161	1.3
194.68163	1.1
195.08043	2.6
196.08800	1.5
197.06020	1.3
197.09622	1.9
198.06752	3.6
199.07509	6.1
206.07268	2.6
207.08083	9.1
209.05966	1.9
209.09549	2.1
210.06725	2.8
211.07523	4.2
211.11079	2.2
212.04660	1.1
213.09068	2.0
214.06459	1.3
214.50888	1.0
219.08032	3.8
221.05992	1.9
221.09525	1.5
222.06842	1.9
223.07571	1.9
224.08350	8.9
225.08974	1.4
226.06229	2.0
227.07066	6.2
228.07729	3.7
229.08549	3.3
232.08723	1.2
233.09642	1.5
234.06688	1.6
235.07503	21.3
236.08263	15.2
237.09128	3.6
239.06993	2.8
239.10645	14.0
240.07886	2.6
241.08482	11.6
243.06485	1.0
244.07320	1.3
247.07539	1.6
247.11249	2.7
249.09102	3.4
250.06261	2.7
250.09836	1.4
251.07004	4.6
252.07808	12.8
253.08650	1.7
255.10139	14.6
257.08096	2.8
259.09607	12.5
264.11423	1.4
265.08627	17.6
265.11908	2.3
266.09280	1.2
267.10147	78.3
268.10461	2.1
271.09708	9.4
275.10666	4.9
277.08551	1.4
277.33594	1.1
278.09424	1.4
279.10147	3.9
279.13736	3.5
281.11633	1.5
283.09622	3.8
292.10977	1.5
297.11179	3.2
297.14633	1.5
299.06152	3.7
307.13278	14.0
311.12878	3.6
321.14813	1.5
324.13797	1.3
325.14362	14.1
339.15909	62.7
357.16946	100.0
358.17416	1.5
451.08762	1.0
537.36273	1.4
557.18213	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83749	2.6
53.03939	6.4
55.01876	3.2
55.05509	27.1
56.29706	2.5
57.03419	4.5
57.07070	46.8
58.22205	2.5
65.97984	2.6
67.05498	48.6
69.07064	19.9
71.04984	5.1
71.08621	38.6
71.72129	3.9
71.72533	3.8
73.44602	2.5
79.05497	30.9
80.32178	2.5
81.03412	14.3
81.07047	49.7
83.04961	3.5
83.08615	19.5
85.10167	18.7
91.05460	30.9
93.07037	25.4
95.04966	27.9
95.08601	41.4
97.10161	9.6
105.07017	13.9
107.04930	21.5
107.08574	12.9
109.06530	3.7
109.10164	18.7
111.08086	3.1
117.07014	8.0
118.96668	2.4
119.08575	5.4
121.06500	8.9
121.10134	8.4
123.08053	3.4
123.11694	8.3
125.05987	2.9
125.09635	3.3
131.04973	3.6
131.08575	10.9
133.10152	6.4
135.08046	4.1
135.11736	5.0
136.99127	2.6
137.13246	3.8
141.07010	3.9
143.08531	3.0
145.10153	5.7
149.13269	5.2
159.11679	11.5
169.10114	4.2
177.12750	7.6
187.11212	5.7
195.06593	3.3
205.12276	10.4
223.13263	77.0
239.23723	7.8
279.15878	18.1
300.12573	3.3
313.27301	13.6
457.47891	2.8
517.38672	6.0
535.39905	100.0
536.40039	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.1
55.05511	22.9
57.03426	7.0
57.07065	13.6
61.02883	3.0
67.05503	83.3
69.07065	28.4
70.42126	13.0
70.42474	3.7
71.08622	7.2
79.05502	24.6
80.63390	3.0
80.92911	2.8
81.03430	3.4
81.07050	100.0
83.08627	26.2
85.02890	6.9
85.10223	3.7
91.05463	25.0
92.40504	3.4
93.07038	27.2
95.04965	6.0
95.08598	81.6
97.06512	7.2
97.10170	15.4
98.29934	3.7
99.17522	3.4
105.07042	16.0
107.08584	16.6
109.10148	40.7
111.08076	5.4
111.11758	4.4
119.08570	17.9
121.10143	25.7
123.11691	22.8
125.09634	3.5
131.04878	4.8
133.10120	18.2
135.11678	14.0
137.13197	6.4
147.11662	14.9
149.13254	14.7
151.14842	5.8
155.14317	4.0
161.13255	12.2
163.14825	11.6
165.12759	3.4
165.16341	8.9
167.21866	3.4
173.09479	2.9
175.14828	8.4
179.17966	9.2
184.07379	4.4
189.16353	6.9
195.06473	5.2
245.22661	63.2
263.23694	74.3
281.24673	3.4
337.27356	51.9
355.28384	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	535.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
53.18172	0.8
61.01136	5.0
61.02887	0.9
67.05483	1.1
70.06548	1.3
71.11240	1.9
72.04503	8.0
78.03784	10.2
78.91383	1.0
79.05492	1.3
81.07044	1.6
85.02872	1.1
86.09686	1.1
88.02197	4.5
90.05518	1.0
91.05425	1.5
95.04941	2.0
95.89897	1.1
97.02870	1.2
99.05571	0.9
102.03758	17.6
107.04944	30.9
111.04454	1.0
113.06001	2.2
114.03736	1.1
119.04921	1.6
120.04784	2.2
123.04421	1.0
124.07514	1.1
131.06369	9.0
132.04765	10.8
135.04407	41.7
137.05959	2.9
139.03857	1.8
140.36282	1.0
142.08586	2.7
149.07426	100.0
151.03889	4.8
159.05856	2.1
161.05974	3.7
163.03896	87.8
165.07054	1.2
177.67833	0.9
203.07045	2.4
206.33167	1.0
211.07359	1.0
221.08064	1.7
229.08524	1.6
239.06952	2.5
243.11769	1.2
257.08072	61.3
258.08392	1.6
261.12656	42.3
267.22971	1.0
279.13690	1.2
299.06183	1.0
311.90231	0.8
314.92343	0.9
328.11740	2.0
405.14648	4.9
433.10953	1.0
440.33582	0.9
517.19745	3.0
535.19263	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46821	0.6
68.99782	11.0
70.42154	2.6
79.01845	1.9
80.59871	0.6
85.71172	0.6
111.00778	3.2
123.04409	0.9
125.02338	1.4
127.03919	0.9
134.01224	0.6
136.22702	0.6
139.03790	0.7
143.03363	3.2
145.06413	1.5
149.02373	0.7
149.72354	0.7
151.03891	1.2
153.01808	35.5
157.06471	1.1
163.05421	0.7
171.04395	7.1
173.05928	5.1
175.03923	1.9
177.05417	1.1
179.03369	7.6
185.05978	1.6
189.05376	1.2
196.13321	0.8
199.03876	18.7
201.05450	6.2
203.03339	4.6
213.05441	6.6
217.04976	10.5
219.06473	6.6
227.03374	3.9
241.04912	6.1
245.04465	16.8
259.06033	2.5
269.04443	5.8
287.05463	100.0
288.05740	1.5
303.04868	1.5
331.04404	2.4
364.50031	0.6
371.00470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3833
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
55.01865	11.6
55.05260	6.2
55.05500	35.2
57.03430	10.0
60.13104	4.6
67.05499	98.0
69.07054	32.4
71.72666	8.6
75.18435	4.9
79.05481	64.7
81.03393	5.7
81.07048	100.0
83.04984	9.7
83.08591	19.5
85.06526	5.2
91.05469	47.6
93.07033	66.5
95.04948	9.7
95.08594	75.8
95.39548	4.6
97.06516	10.5
97.10150	22.1
105.07014	45.7
107.08582	54.3
109.06499	6.2
109.10142	35.0
111.08015	5.9
117.06990	19.7
119.08560	34.5
121.06458	6.1
121.10107	36.3
123.11677	19.0
125.09608	13.5
129.07008	10.3
131.08554	31.1
133.10114	30.1
135.08055	5.4
135.11674	42.0
137.49988	4.7
143.08556	16.7
145.10127	31.0
147.11644	15.9
149.09497	6.3
149.13246	11.4
154.01248	4.4
157.10106	15.6
159.11668	21.3
161.13261	13.3
163.11142	6.6
163.14891	4.5
169.10124	5.3
173.13232	13.4
181.12221	7.3
185.13258	11.9
187.14842	8.7
189.11217	17.5
199.14796	5.2
201.16313	6.0
203.18005	4.7
211.05907	7.5
219.17526	5.8
227.12694	13.3
255.15848	9.7
261.22006	7.6
273.22067	8.4
291.23187	8.6
297.11182	6.1
297.21985	5.8
335.25644	10.9
405.31689	6.3
423.32382	10.5
441.33640	16.8
459.34702	16.1
489.35663	5.1
497.36090	6.0
515.37317	90.2
533.38116	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3835
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
52.57544	3.0
53.03934	5.3
55.01868	4.5
55.05510	46.6
57.03439	15.7
57.07073	6.5
62.83112	3.1
65.03939	6.2
67.05152	6.3
67.05501	94.5
69.07072	29.8
70.30561	14.2
71.04990	6.8
71.08624	9.5
73.02883	3.1
79.05485	56.7
81.03406	15.8
81.07053	100.0
83.04964	14.5
83.08617	29.6
85.06529	8.4
91.05465	41.2
93.07036	76.2
95.04987	12.4
95.08604	63.3
97.06538	8.1
97.10159	21.9
99.08128	3.7
105.07025	50.1
107.08583	52.6
109.10151	36.3
111.08073	6.4
117.07027	17.0
119.08574	37.1
121.10123	28.4
123.11697	13.5
125.09634	12.7
129.07008	5.6
131.08534	29.1
133.10117	37.9
135.11679	39.2
137.13193	5.4
143.08585	7.2
145.10115	24.0
147.11732	20.6
147.12718	3.6
149.13257	13.6
151.11171	4.3
153.12767	5.1
155.08542	3.6
156.53760	3.0
157.10129	6.5
159.11722	13.2
161.13283	11.1
163.14795	3.6
169.10147	7.0
171.11664	7.4
173.13249	12.5
175.14883	6.6
181.12265	7.1
185.13248	7.5
187.14772	8.0
189.11214	11.4
197.13147	4.0
224.27780	3.0
225.16585	3.1
227.12776	14.2
255.15862	15.6
259.20523	4.4
261.22012	21.4
273.22119	4.0
287.23581	4.0
289.21738	5.1
289.25223	8.3
310.67105	4.3
333.24246	3.1
335.25793	14.7
405.31476	4.1
423.32513	18.0
435.89349	3.6
441.33319	16.6
459.34604	11.4
497.36041	7.0
515.37299	94.1
516.37323	5.1
533.38068	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01862	9.0
55.05508	45.0
56.97397	3.5
57.03426	8.9
59.04984	3.5
65.03919	4.8
67.05496	79.0
69.07062	26.7
71.04972	4.6
71.70416	5.2
77.30296	3.4
79.05491	49.7
81.07056	66.0
83.04968	13.5
83.08602	17.0
87.04463	8.8
91.05475	47.4
93.07044	64.1
95.04965	12.5
95.08601	49.4
97.06503	6.4
97.10173	18.3
105.03380	6.8
105.07031	39.5
107.08580	48.3
109.10152	28.2
117.07011	19.9
119.08571	34.6
121.06445	4.4
121.10142	23.0
123.08096	5.3
123.11696	16.8
125.09612	28.3
129.07018	5.3
130.07761	4.1
131.04909	5.1
131.08549	25.5
133.10136	27.5
135.11678	28.9
143.08527	11.5
145.10106	22.3
147.11670	22.1
149.13255	6.4
153.12747	5.8
157.10046	9.1
159.11664	15.5
161.13210	8.8
163.11169	4.6
167.08815	4.1
169.10106	3.7
171.11711	10.3
173.13274	10.3
175.14789	5.9
181.12314	6.1
183.11679	4.8
185.13202	7.9
187.14798	9.8
189.11230	17.3
189.16379	4.7
199.14775	5.6
227.12764	21.4
255.15907	14.8
261.22147	7.6
273.22043	4.0
289.25259	5.0
335.25793	12.3
423.32535	18.3
441.33536	14.9
459.34726	17.6
497.36136	7.6
515.29065	6.9
515.37244	100.0
533.38629	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.0
55.01862	0.4
57.03403	0.4
58.48408	0.3
60.85252	0.3
65.03925	1.2
67.05494	0.7
68.99779	1.0
69.03425	0.7
69.07056	0.6
71.71027	0.5
76.02201	0.3
79.05483	0.8
79.19965	0.3
81.03381	0.3
81.07034	1.2
83.04946	0.4
85.02874	0.3
86.94598	0.3
91.05432	0.7
93.03432	0.4
93.07037	1.3
95.04951	0.6
95.08575	0.7
97.02881	0.6
97.06503	0.4
99.04458	0.4
105.07011	1.3
107.04951	0.4
107.08601	1.6
111.00777	1.4
111.04440	1.4
119.08543	0.4
121.02840	1.4
121.06500	0.5
121.10143	1.1
123.04435	2.6
127.03879	1.4
135.04424	0.9
135.11659	0.5
137.05980	0.6
139.03889	100.0
140.04208	1.0
145.10135	0.6
147.04410	0.5
149.05965	0.4
151.03896	9.7
159.04500	0.4
161.05974	0.5
163.03900	7.2
163.11195	2.5
167.07040	0.5
167.10675	0.7
169.08559	1.1
173.09705	0.4
177.05453	0.6
179.07001	1.1
181.12254	1.0
185.11708	0.7
191.10641	2.0
203.10995	0.3
205.04933	3.8
209.11749	1.7
219.10109	0.8
227.12794	4.8
247.05904	0.4
263.10870	0.3
271.06030	0.9
289.07034	15.0
314.76422	0.3
339.12143	0.5
371.14902	0.9
374.32275	0.3
397.16797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.05508	7.1
57.03428	2.5
61.02922	0.8
65.03941	0.8
67.05507	3.4
68.25004	0.4
69.03420	0.9
70.88303	0.6
70.88638	0.7
78.70343	0.4
81.03385	0.5
81.07050	0.5
83.04978	46.7
85.02901	100.0
86.03284	0.5
86.05232	0.4
87.04462	0.7
91.05500	0.5
93.03381	0.5
95.04965	0.5
97.02879	0.5
98.12634	0.5
99.04461	0.4
101.06013	0.6
106.24229	0.4
111.04438	24.8
120.51942	0.4
124.50551	0.4
127.03899	5.0
129.05479	14.3
137.02383	0.7
139.03960	2.0
142.12794	0.4
154.18130	0.4
167.06918	0.6
171.06519	62.3
172.06906	0.7
209.41245	0.4
267.94983	0.4
303.04922	2.4
315.04980	2.4
327.04840	0.4
331.04315	0.4
341.06454	1.4
369.05890	2.2
395.07538	0.9
413.08698	0.5
445.20126	1.0
473.10797	0.7
533.25751	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	533.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59432	0.4
55.01876	1.8
55.05515	0.4
57.07055	0.6
61.01138	1.8
61.04643	0.4
68.99784	2.7
70.26653	1.9
71.01337	0.4
72.04515	4.4
78.03783	3.6
83.04941	0.5
85.06519	0.9
86.06068	0.9
88.02212	3.1
98.06030	1.0
98.20714	0.5
99.05553	1.7
102.03754	5.3
103.02169	0.5
107.04929	0.6
113.05994	0.9
114.03744	1.1
115.08668	1.7
120.04786	0.6
124.07561	0.5
125.07076	0.5
128.06192	0.6
129.06979	1.3
130.08604	0.5
131.04926	0.4
131.06367	2.6
131.08528	1.1
132.04779	5.8
133.02829	1.0
137.02286	0.6
139.03868	3.1
141.06870	0.6
142.08595	2.4
143.08516	0.8
149.07428	20.9
151.03908	0.4
152.06190	1.2
153.06987	4.6
157.06491	7.2
159.05830	1.8
159.08067	0.5
165.06952	1.1
169.06473	0.5
171.08051	2.6
175.05397	0.7
178.04956	3.5
181.06465	14.2
184.09660	0.9
185.06015	4.2
187.07536	2.4
199.07532	8.0
199.95961	0.4
209.05981	4.2
210.06728	0.7
213.05450	7.8
227.07013	17.1
227.09273	0.8
237.05504	2.6
238.06520	0.4
243.11658	0.9
255.06502	100.0
256.06818	1.4
261.12656	29.7
284.09161	3.6
289.06940	0.5
326.10187	8.4
403.13196	2.0
515.18188	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	533.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09790	0.6
53.03945	0.8
55.05512	6.1
57.03425	1.5
61.02919	1.2
67.05487	1.7
67.26244	0.7
69.03423	0.8
70.95355	1.6
70.95747	1.5
83.04974	46.7
83.26608	0.7
85.02898	100.0
87.04465	1.4
93.30521	0.7
98.21381	0.8
111.04436	26.0
111.05189	1.5
127.03893	4.9
129.05476	12.2
137.02313	0.8
148.71152	0.8
171.06516	71.5
184.94800	0.7
187.09369	0.7
299.35080	0.7
303.05078	2.3
315.04996	2.1
341.06564	1.2
369.06216	2.2
405.96408	0.7
473.10699	1.0
533.25574	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.05502	20.6
56.34837	2.7
57.03422	4.1
57.07058	6.5
59.07440	2.8
61.02909	5.0
65.03912	3.0
67.05154	5.1
67.05501	92.0
68.87315	2.8
69.03416	4.4
69.07057	17.7
70.60468	3.2
71.04964	5.4
73.02890	4.6
75.04467	3.8
79.05482	64.3
81.03397	6.7
81.07054	100.0
81.42928	2.9
83.04976	5.5
83.08614	11.9
85.02898	8.0
85.06531	5.5
91.04948	3.6
91.05476	43.6
92.05808	3.5
93.07034	85.4
94.07346	6.1
95.04963	7.4
95.08597	70.0
97.02871	8.6
97.06515	7.1
97.10179	5.1
98.21481	8.3
99.04457	3.5
105.07024	37.8
107.08592	38.7
109.06532	4.4
109.10149	40.7
111.08021	4.7
117.07027	12.4
119.08574	32.3
121.10132	50.1
123.08005	6.0
123.11717	19.2
127.03849	2.9
129.06976	5.1
131.08560	29.6
133.10129	21.2
135.08067	4.3
135.11696	34.7
137.13275	5.2
143.08588	5.2
145.10106	23.3
147.11702	15.5
149.13243	22.8
151.14771	4.6
159.11702	20.3
161.13232	13.2
162.95285	3.8
163.14793	19.5
164.96843	2.9
173.13228	21.2
175.14827	4.8
177.16385	6.1
179.14345	4.0
185.13217	4.1
187.14854	14.5
201.16202	3.8
243.21031	26.7
259.20450	3.7
261.22125	98.2
291.19614	5.5
335.25845	13.8
353.27017	19.5
387.25143	3.9
405.26224	6.7
514.36035	9.6
532.36835	6.1
533.35260	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	531.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
54.82883	1.9
55.01861	5.1
55.05504	22.6
57.03418	8.1
57.07066	4.4
58.16449	2.1
59.51161	1.8
64.17748	1.7
65.03923	7.5
66.51379	1.8
66.64097	1.9
67.05499	100.0
68.05820	2.7
69.03427	3.0
69.07055	26.6
70.13973	3.1
70.14265	11.0
71.04980	9.7
76.48692	1.8
79.05032	3.1
79.05490	60.8
80.05845	3.0
81.03401	6.6
81.07050	92.8
82.07360	2.6
83.04974	13.1
83.08600	11.2
85.02876	2.9
85.06523	8.5
86.89312	1.9
91.05474	65.9
92.05759	2.0
93.07037	68.3
95.04967	11.9
95.08597	38.0
96.08906	2.4
97.06512	7.9
97.10116	5.8
99.04465	2.6
99.08060	2.3
101.40997	2.2
103.05450	2.8
105.07024	63.6
107.04995	3.0
107.08583	57.6
109.06487	8.9
109.10146	77.0
110.10484	2.9
111.08054	2.2
113.05976	2.6
117.06992	9.7
118.57528	2.0
119.08557	18.8
121.06487	1.8
121.10133	23.7
123.11707	15.0
125.09620	3.6
127.07535	3.5
129.07010	3.0
131.08569	16.5
131.12776	2.2
133.10117	84.7
135.11661	21.5
137.09569	2.4
139.32361	2.1
143.08498	2.4
145.10077	7.9
147.11601	4.6
149.13245	7.0
151.11188	42.2
157.10094	2.4
159.11659	5.7
160.12125	2.3
161.13245	6.0
162.52544	2.2
163.11203	2.2
163.14790	3.0
169.12210	8.9
171.11630	1.9
173.11842	2.7
173.13214	9.3
175.14838	3.1
183.11533	2.2
187.14853	2.5
195.06531	5.2
199.49269	2.1
201.16353	2.7
213.07597	2.1
215.12796	3.9
229.14429	3.1
243.21094	3.7
253.14317	72.5
256.26312	2.0
261.22174	16.4
270.17697	2.5
271.15573	2.6
299.12854	3.1
317.24594	4.7
396.83246	2.0
421.31149	2.5
439.31982	3.0
457.33023	7.1
513.35852	11.4
531.36731	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97847	1.8
53.03934	6.5
53.65160	1.7
55.01857	4.0
55.05509	39.0
57.03435	15.5
57.07065	3.8
65.03938	3.9
67.05500	76.8
68.05798	1.9
69.07062	30.4
71.01335	2.5
71.04977	5.0
71.70150	2.0
79.05491	59.4
81.03394	4.3
81.07053	64.1
83.04966	8.4
83.08615	19.1
85.06548	4.5
91.05474	60.2
93.07038	66.0
95.04956	8.5
95.08597	42.3
97.06530	13.6
97.10171	14.8
99.08092	4.7
105.07026	53.4
107.08592	47.0
109.06497	4.8
109.10151	25.7
111.08079	2.2
115.84982	2.2
117.07016	21.7
119.08573	55.5
121.06482	1.9
121.10146	24.3
123.08099	4.8
123.11687	6.3
125.09635	9.8
127.40585	2.0
128.06200	3.8
129.06989	19.1
130.07726	2.9
131.08572	46.1
133.10124	48.5
135.11687	39.2
141.07010	6.0
142.07787	5.4
143.08539	30.1
145.10115	56.2
147.11682	38.2
149.09605	4.2
149.13257	10.3
151.11182	5.2
153.12836	3.1
155.08569	15.2
156.09369	2.6
157.10135	27.4
159.11690	41.8
161.09596	2.4
161.13237	26.1
163.11192	4.9
163.14832	3.5
167.08571	2.1
168.09329	2.5
169.10110	13.9
171.11696	31.0
173.13268	28.7
175.11113	2.5
175.14824	10.8
181.10085	3.9
181.12239	9.1
183.11662	17.7
185.11728	3.2
185.13251	24.8
187.14812	14.2
189.12770	2.4
191.14297	2.0
193.10132	2.2
195.11690	9.6
197.13228	16.4
199.14812	15.3
201.16376	4.8
207.11711	2.5
209.13191	5.9
211.14789	8.1
213.12701	2.4
213.16376	8.8
223.14822	5.9
225.16389	3.9
227.17902	3.6
231.21094	4.4
235.14764	2.9
237.16367	3.6
241.19537	20.1
245.15520	2.0
253.14343	6.8
255.15869	31.1
257.18997	4.4
259.20563	41.3
261.22141	4.3
271.20694	2.0
277.21796	2.1
279.21017	2.2
283.20554	2.4
285.22040	4.1
287.23706	3.2
297.22018	5.5
299.23834	2.3
301.21454	2.8
309.22064	3.5
311.23477	2.8
313.21600	2.9
315.23178	3.2
327.23004	5.1
329.24817	2.2
333.24142	20.4
337.42322	1.9
345.06778	2.1
346.64246	2.1
393.31351	3.5
403.29868	7.5
409.30991	6.7
411.32648	13.7
421.31049	30.0
425.89938	2.0
427.32050	3.2
429.33673	3.8
439.32092	24.3
457.33081	23.4
483.34464	2.6
485.36395	10.6
495.34766	9.1
501.35672	9.0
503.37241	33.2
513.35748	100.0
531.36902	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	531.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.9
55.01857	7.0
55.05506	21.1
57.03420	3.2
57.07051	4.1
64.03011	3.6
67.05498	95.5
69.03427	4.3
69.07051	22.4
71.04966	7.9
79.05489	54.1
80.05811	2.9
81.03391	9.9
81.07052	88.2
83.04951	11.4
83.08603	12.0
85.06536	11.3
91.04934	4.5
91.05470	65.4
93.07037	65.8
95.04948	10.8
95.08084	4.3
95.08601	35.1
97.06512	10.5
97.10165	4.1
98.20712	6.0
99.04434	3.2
99.77172	3.3
105.07024	52.5
107.08585	51.5
109.06498	8.5
109.10144	72.5
117.07008	11.2
119.08573	24.5
121.10123	26.8
121.56886	3.5
123.08047	4.2
123.11704	14.7
131.08545	15.7
133.10117	80.7
135.11696	16.8
143.08545	7.3
145.10107	12.4
147.11676	9.9
149.13298	7.6
151.11171	38.1
152.26984	3.2
159.11694	9.9
161.13235	6.9
169.12222	11.6
171.11607	5.4
173.13271	8.6
185.13223	4.7
187.14789	4.9
201.16153	3.3
215.12688	4.8
229.00684	3.6
243.21072	4.1
253.14330	100.0
261.22107	22.4
298.45499	3.5
439.31927	5.6
457.33081	6.8
513.35529	22.8
531.36871	86.2
532.37323	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	531.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02370	0.2
50.54079	0.2
53.00303	1.0
55.01856	0.6
55.05495	0.2
55.07934	0.2
58.67113	0.2
65.03940	1.1
67.05486	1.1
67.82270	0.2
68.99770	0.8
69.03440	0.4
69.07039	0.2
70.19443	1.1
79.05479	0.7
81.07046	0.3
82.45744	0.2
83.04971	0.7
85.02914	0.3
90.55451	0.2
91.05467	0.8
93.03378	0.5
93.07032	0.3
95.04964	0.7
95.08613	0.3
97.02888	0.3
97.06487	0.2
99.04461	0.4
105.07018	0.8
107.04952	0.7
109.06497	0.4
109.10134	2.6
111.00799	0.6
111.04438	2.2
112.96404	0.2
117.06957	0.3
119.08551	0.6
121.02904	0.9
121.10116	0.2
123.04424	2.6
128.06207	0.5
129.06981	0.3
131.04851	0.3
133.10097	0.9
137.09601	3.4
139.03886	100.0
140.04239	0.6
143.08528	0.7
145.02856	0.2
146.07291	0.3
147.08057	0.8
149.05969	0.6
151.02664	0.4
151.03889	7.8
161.05983	0.5
161.09602	4.5
163.03912	2.7
163.11276	0.3
165.09114	3.4
177.05424	0.3
179.06987	0.6
179.10643	0.5
180.62473	0.2
181.04984	0.3
189.08990	1.0
205.04948	2.2
207.10120	1.3
211.05887	0.3
219.06696	0.2
229.04736	0.4
247.05890	0.3
261.12680	0.8
271.06058	0.4
289.07047	5.9
369.13318	0.5
386.08661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74152	0.5
55.01859	0.5
57.03437	0.5
65.03936	0.6
70.06573	0.5
70.99580	0.7
74.00658	0.7
76.03996	0.8
80.04977	0.9
83.06077	0.7
84.04494	7.0
85.02892	7.5
85.04021	2.7
92.01685	1.3
93.05784	2.7
94.06550	1.1
97.01105	0.8
98.06030	0.5
99.02663	2.4
99.05547	0.8
100.02172	0.9
106.06575	1.0
109.01115	0.5
110.06062	0.7
113.03468	0.6
117.05734	0.6
118.06531	2.1
124.02187	1.0
125.02944	9.7
126.03732	16.4
127.02126	2.2
129.06537	1.0
130.05006	6.2
130.06508	1.4
131.03546	0.6
131.04543	1.7
131.07262	1.9
132.08081	3.6
135.02644	3.7
139.03917	1.1
145.05925	0.7
148.07593	1.4
150.03712	2.4
150.05679	0.5
152.05249	1.4
153.01790	1.0
158.06004	0.5
159.06807	0.7
160.07573	1.2
163.03815	0.6
164.05278	8.6
164.06783	0.7
166.03232	3.4
176.07027	1.5
177.03267	6.9
177.07817	2.0
178.08591	1.7
180.04735	1.4
181.06085	0.6
184.04282	1.0
185.03818	2.7
186.88867	0.5
190.06915	1.1
192.04770	10.7
192.06505	0.7
194.08119	1.5
204.06477	0.9
205.07304	1.7
206.08072	1.1
210.05826	18.9
218.06360	1.2
220.04300	1.7
224.09161	9.1
226.10757	0.7
226.76100	0.6
228.06906	3.8
229.07007	0.5
230.22623	0.6
231.04340	7.0
238.05304	11.0
256.06363	100.0
257.06647	0.9
258.07690	0.6
264.06808	1.0
282.07925	7.6
286.03088	0.5
288.06378	0.9
292.06406	1.3
299.10574	7.4
302.40067	0.6
309.08963	2.1
310.07343	8.1
327.10132	4.5
331.12891	0.7
365.11600	1.3
402.13327	10.6
456.13995	2.0
496.76132	0.5
531.17877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01852	3.4
55.05507	20.2
57.03432	9.4
57.07079	2.2
59.04979	1.5
65.03952	2.9
65.62445	1.3
67.05499	74.9
68.05820	1.6
69.07064	15.6
71.04984	23.3
71.61095	3.3
79.05486	34.1
81.03404	4.1
81.07050	100.0
82.07374	1.9
83.04977	6.8
83.08623	14.8
85.02886	2.9
85.06551	7.6
87.04479	3.0
91.05470	30.9
93.07039	42.1
95.04964	5.2
95.08601	19.6
97.06532	13.2
97.10149	5.8
99.08119	2.0
105.07021	12.8
107.04944	1.9
107.08582	26.2
109.06522	2.6
109.10147	15.9
111.08077	5.6
117.06992	6.0
119.08571	4.3
121.06486	2.4
121.10122	14.6
123.11703	9.3
125.09615	3.7
131.08583	9.8
131.64732	1.5
133.10106	16.5
135.08047	1.6
135.11650	9.5
149.09639	1.7
149.13255	21.9
151.11194	4.2
159.11694	12.3
173.11673	3.4
177.12805	4.2
183.13765	3.1
187.13281	4.0
195.13770	10.5
208.27888	1.6
213.14796	4.2
229.14317	10.7
269.17465	35.5
301.16568	2.7
301.19989	15.9
341.15677	1.8
352.41772	1.7
362.62759	1.7
423.27414	2.2
437.28967	62.2
451.30615	13.3
463.23972	2.9
463.30499	51.0
464.30957	1.8
495.27457	1.9
495.33282	24.6
530.37115	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	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
55.01884	12.4
55.05256	2.7
55.05509	42.3
57.03432	23.3
57.07058	5.2
61.53427	2.1
63.60650	2.1
65.03932	4.0
67.05164	4.7
67.05502	85.2
69.03429	5.5
69.07063	23.1
71.04985	4.3
71.70318	4.7
73.02905	2.9
77.55968	2.6
79.05492	58.8
81.03406	15.7
81.07051	100.0
82.04191	3.5
83.04979	17.9
83.08624	26.4
83.35458	2.5
85.06543	6.6
88.23148	2.7
91.04950	3.8
91.05474	50.2
92.05769	2.9
93.07047	57.0
94.07365	2.7
95.04966	19.1
95.05498	3.5
95.08610	32.7
97.02860	5.0
97.06538	15.4
97.10171	11.5
99.08066	4.6
105.07044	19.1
106.07332	2.3
107.04922	8.3
107.08588	40.6
109.06530	5.7
109.10145	16.0
111.04410	2.6
111.08055	8.3
116.04694	10.4
117.07023	16.1
119.08574	15.5
121.06470	5.3
121.10136	18.5
123.08046	2.3
123.11707	3.9
125.09607	10.3
127.76959	2.5
129.05492	20.5
129.07004	6.8
131.08562	14.2
133.10129	23.6
135.08041	3.1
135.11700	16.0
136.12122	2.6
143.07022	4.8
145.10115	6.9
147.11659	5.3
149.09587	3.0
149.13268	20.1
151.11063	2.7
157.08598	11.9
157.09979	5.9
159.11655	9.0
163.11162	10.5
165.12892	2.7
171.06512	3.0
173.11728	6.9
177.12770	5.6
189.11200	5.4
191.10632	3.5
193.12117	3.5
195.13739	17.8
199.13260	15.8
209.11693	7.3
211.13274	3.8
213.14835	4.4
219.63210	2.6
227.12721	8.6
229.14410	2.9
247.66982	2.6
267.15878	5.7
269.17456	66.0
283.15372	8.0
301.16473	47.4
411.27292	5.9
423.27603	11.6
477.28354	5.9
478.29477	3.7
495.29578	52.1
530.35400	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	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
54.54054	1.8
55.01871	8.4
55.05506	43.8
57.03425	13.6
57.07059	3.0
59.04970	3.0
65.03935	4.0
67.05497	100.0
69.03425	2.8
69.07058	20.6
71.01321	1.9
71.04981	5.0
71.92816	1.8
73.02899	7.5
79.05484	49.4
79.66128	1.8
80.05788	2.1
81.03411	12.0
81.07047	84.3
82.07388	4.4
83.04969	12.2
83.08609	20.8
85.02902	9.9
85.06538	5.5
87.04472	6.6
88.07589	1.7
89.87102	1.7
91.05479	34.9
92.05820	1.9
93.07037	52.3
94.07364	3.1
95.04965	9.7
95.08588	28.9
97.02879	2.7
97.06513	10.9
97.10175	14.8
98.21563	3.6
99.08087	2.7
105.07003	18.6
107.04994	3.3
107.08583	36.2
108.08871	2.7
109.06499	3.7
109.10149	40.2
111.08064	6.5
117.07016	14.3
119.08576	11.1
121.06498	3.6
121.10119	13.1
122.10442	1.9
123.08056	3.9
123.11668	4.2
125.09616	20.2
129.05505	6.4
129.06967	3.5
131.08562	15.2
133.10121	18.2
134.10469	2.0
135.11693	13.4
137.09613	2.5
145.10100	6.7
147.11636	5.4
148.12048	2.1
149.09607	4.1
149.13251	16.7
150.13603	2.3
151.03491	1.9
151.11087	3.1
153.12723	3.2
155.10683	2.5
157.10144	1.7
159.11693	11.7
163.11171	9.2
173.11749	16.8
177.12785	5.0
192.36116	2.2
193.12250	2.5
195.13783	27.2
197.13219	1.8
199.13319	7.8
209.11763	6.3
213.14894	3.5
221.05109	1.8
227.12730	3.0
229.14333	38.3
229.16457	3.0
229.79720	2.2
267.15948	4.4
269.17450	57.4
301.16376	10.6
411.27524	3.7
423.27216	14.0
438.34747	2.5
456.51682	2.2
495.29398	18.6
513.30487	14.6
530.39197	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19439	1.4
54.18576	1.3
55.01856	2.1
55.05517	9.7
55.05753	2.2
57.03439	8.3
57.07054	1.8
67.05502	25.1
69.07059	11.1
71.05001	3.7
79.05496	15.2
81.03407	1.8
81.07050	69.6
83.04975	5.7
83.08618	8.8
85.06544	4.5
91.05476	19.0
93.07037	12.5
95.04933	3.0
95.08595	15.8
97.06516	3.4
97.10166	1.8
98.21583	3.4
99.08077	3.5
105.07023	31.0
106.01935	1.6
107.08600	9.9
109.06509	4.7
109.10152	3.8
111.08057	1.8
113.05944	1.5
117.06969	2.0
119.08569	21.3
121.10128	18.2
123.08076	4.3
123.11686	20.0
129.06981	2.2
131.08556	2.9
133.10173	2.6
135.08084	1.8
137.13248	2.0
147.11678	54.6
157.10188	2.3
165.12750	20.5
183.13924	4.1
193.12379	1.7
229.14366	8.9
267.15909	61.6
269.17587	4.1
283.15427	2.1
285.16946	100.0
365.23077	3.2
366.23358	7.1
395.97424	1.6
442.09561	1.8
459.27145	1.9
477.28204	12.8
495.29483	36.8
530.28046	57.2
530.35034	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73371	0.7
58.41084	0.8
67.05501	3.8
69.03430	0.7
69.07034	0.8
71.04987	5.1
71.70335	0.7
79.05487	1.2
80.14304	0.8
81.07037	3.2
83.04974	1.0
85.02888	1.2
85.06535	9.9
91.05476	8.7
93.07033	1.2
95.08618	1.4
105.06968	3.9
107.04943	1.0
107.08596	4.1
109.10129	4.7
109.16446	0.6
109.72594	0.7
119.04935	12.4
123.11703	0.7
133.10135	9.2
139.03880	2.3
143.08466	0.8
147.04398	100.0
151.11176	7.2
169.12202	6.9
187.13278	18.7
234.90892	0.8
253.44785	0.7
333.16928	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	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05506	18.8
56.49858	1.5
57.03429	18.0
65.03922	2.7
67.05158	1.6
67.05501	25.7
69.03423	5.0
69.07054	8.8
69.54655	14.1
71.04980	6.6
79.05489	28.8
81.03413	68.5
81.03899	3.4
81.07052	28.1
83.04967	19.8
83.08611	26.4
85.02905	28.8
91.05470	36.4
93.07053	16.1
95.04959	29.6
95.08600	11.6
97.02879	3.3
97.06506	3.4
97.10166	3.9
105.07032	24.9
107.04965	6.8
107.08610	8.5
109.06511	6.3
109.10161	3.4
111.04422	2.4
111.08080	13.2
113.06011	3.8
115.05484	1.9
117.06995	3.4
119.08575	20.9
121.06528	1.7
121.10179	9.4
123.08044	2.9
123.11673	1.9
129.07002	13.2
131.08528	12.9
133.06569	2.6
133.10110	12.3
137.09592	2.3
142.07784	3.2
145.10066	1.9
147.08011	4.3
147.11682	16.2
149.09634	5.6
157.10117	14.1
165.12747	2.9
175.11177	17.7
188.74562	1.7
193.12228	64.7
211.13275	100.0
211.50543	1.4
217.76328	1.4
222.67711	1.5
249.14778	2.4
267.15884	26.6
285.16937	69.4
286.17252	1.8
459.27029	7.8
477.28375	11.4
495.29544	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	530.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.05523	0.4
55.97036	0.3
57.03441	0.4
57.07061	0.4
59.45595	0.3
65.03947	0.6
67.05500	3.9
69.03439	0.6
69.07058	0.6
71.04995	5.5
71.71008	0.4
72.08136	0.5
79.05482	1.2
81.03426	0.4
81.07047	3.0
83.04996	0.4
85.02908	1.7
85.06536	9.3
91.04932	0.7
91.05470	7.9
91.44509	0.3
93.07036	1.0
95.04957	0.4
95.08624	0.5
105.07032	3.6
107.08587	3.5
109.06530	0.6
109.10152	4.7
111.15841	0.3
119.04089	0.8
119.04937	13.0
123.11722	0.7
133.10124	8.9
135.11685	0.4
139.03928	0.6
147.04399	100.0
148.04860	0.4
151.11176	7.0
151.36351	0.4
165.05505	0.9
167.02991	0.4
169.12236	7.2
187.13277	13.0
187.14926	0.7
236.74370	0.3
244.37683	0.3
249.94055	0.3
256.89481	0.3
309.09448	0.7
330.34137	0.3
333.16934	3.8
377.01715	0.5
395.91888	0.4
404.56967	0.4
405.86694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.2
53.03941	2.8
55.01860	2.9
55.05507	19.4
57.03426	2.9
57.07064	3.3
65.03933	1.7
67.05499	51.1
69.07065	17.2
70.21175	1.8
70.21557	5.1
71.05000	2.3
77.03912	1.0
79.05490	36.7
81.03404	1.8
81.07050	55.3
83.04974	3.2
83.08617	9.0
85.06548	2.3
88.58289	0.9
91.05472	29.1
93.07038	40.1
95.04953	4.2
95.08600	32.5
97.06531	4.3
97.10161	3.7
99.08075	1.5
105.07021	25.3
105.07725	1.3
107.08583	19.0
108.11288	0.9
109.06522	1.6
109.10143	10.1
111.08065	3.1
115.05451	1.2
117.07005	13.0
119.08570	17.9
121.10133	13.2
123.11712	3.9
125.09638	1.1
128.06122	1.0
129.06941	6.1
130.07727	1.1
131.08557	22.2
133.10124	14.8
135.11668	10.6
137.13219	1.1
141.07050	1.2
142.07780	1.3
143.08545	9.4
144.09305	1.5
145.10115	15.5
147.11659	6.4
149.09677	1.1
149.13245	9.7
155.08568	3.1
157.10130	7.5
159.11674	14.5
161.13234	4.8
167.08611	1.3
169.10138	4.3
171.11676	7.2
173.13255	6.5
175.14862	2.8
177.12793	1.2
179.40170	0.9
183.11702	3.9
185.13322	6.4
187.14822	3.3
189.16458	1.1
189.69022	0.9
195.11899	1.6
195.13829	4.5
197.13306	1.8
199.14871	3.3
201.16437	1.8
211.14877	1.7
213.16507	1.2
219.72189	1.0
223.14888	1.3
225.16524	1.6
245.19006	1.1
253.17871	1.5
256.26013	1.1
261.22147	1.7
285.22479	1.1
325.25302	2.1
356.61801	1.0
419.33359	3.1
437.34045	9.0
455.35141	3.6
459.30838	1.4
493.36487	1.1
511.37900	5.1
529.38861	100.0
530.39600	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	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76006	1.5
53.03938	6.6
55.01861	4.2
55.05505	27.7
57.03422	5.0
57.07073	4.1
65.03928	4.7
67.05499	77.3
69.03397	1.8
69.07061	22.9
69.69212	2.7
69.69615	10.4
71.04989	2.9
79.05487	66.7
81.03408	2.6
81.07050	79.8
83.04961	4.4
83.08620	13.9
84.89178	1.6
85.06546	2.6
91.05469	48.4
93.07037	62.1
95.04968	11.0
95.08594	38.5
97.06511	4.9
97.10162	4.3
99.08093	3.9
105.07027	34.0
107.08582	29.0
109.06531	4.3
109.10146	11.5
111.08100	3.7
115.05424	2.3
117.07006	20.4
119.08561	22.7
121.10130	18.9
123.08038	1.7
123.11695	4.3
128.06203	1.8
129.06989	8.7
130.07767	1.7
131.08565	31.1
133.10114	16.0
135.07983	2.1
135.11667	11.5
138.45461	1.6
141.07014	2.4
143.08560	13.6
145.10115	18.6
147.11668	8.3
149.09564	2.0
149.13261	15.7
155.08562	4.5
157.10091	8.3
159.11705	11.6
161.13258	4.7
163.14815	1.9
169.10136	5.1
171.11710	6.7
173.13344	7.1
175.14838	2.0
177.12723	2.3
181.10152	1.8
183.11781	3.5
185.13271	3.7
187.14818	1.8
195.11768	2.7
195.13826	5.1
197.13272	3.6
199.14877	3.5
201.16414	2.1
211.14841	2.6
261.22333	2.8
268.62570	1.6
374.81726	1.3
419.33368	4.1
437.34061	9.7
455.35388	2.8
493.36697	2.0
511.37833	5.1
529.38873	100.0
530.39447	3.6
551.48187	1.8
553.38647	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92532	1.1
53.03926	4.5
55.01865	3.7
55.05507	24.6
57.03417	3.9
57.07063	4.1
65.03937	4.5
67.05495	70.6
69.03419	1.5
69.07063	21.8
70.13619	2.0
70.14021	5.5
71.04977	4.1
79.05483	59.8
81.03403	4.0
81.07047	80.4
83.04955	6.4
83.08607	17.3
85.06554	2.8
91.05469	40.0
93.07033	60.8
95.04955	7.4
95.08595	41.4
96.67987	1.3
97.06519	8.6
97.10159	3.7
99.08084	1.7
105.04565	1.9
105.07008	29.0
107.08587	29.9
109.06516	3.9
109.10147	12.8
111.08060	4.1
117.07005	17.7
117.15297	1.4
119.08568	23.5
121.06480	1.6
121.10139	20.8
123.08081	1.6
123.11723	5.1
128.06203	1.6
129.07007	6.3
130.07768	1.3
131.08556	26.4
133.09100	0.9
133.10114	23.4
135.11665	15.0
141.07047	1.4
143.08571	7.6
145.10112	18.2
146.92892	1.4
147.11665	8.6
149.13269	11.3
155.08540	4.7
157.10091	7.4
159.11700	15.0
161.13242	5.8
167.08682	1.4
169.10127	4.2
171.11673	6.3
173.13248	9.2
175.14854	1.4
176.59113	1.3
177.12793	2.3
183.11726	3.6
185.13193	6.7
187.14827	4.2
195.11987	2.2
195.13831	10.2
197.13268	3.5
199.14845	3.7
209.13286	1.8
211.14854	2.2
223.14822	1.3
259.20572	1.7
261.22174	2.9
285.22162	1.7
287.31573	1.3
299.23730	1.4
311.23843	2.6
322.66153	1.1
371.97842	1.3
419.32761	2.4
428.59662	1.4
437.34045	8.6
455.35126	4.5
511.38080	6.9
529.38849	100.0
530.38873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.9
53.03942	5.6
55.01861	2.8
55.05251	1.3
55.05506	23.1
57.03432	6.0
57.07075	4.6
57.89853	0.9
64.90102	1.0
65.03940	4.8
67.05501	76.6
69.03410	1.2
69.07065	23.2
71.04991	4.7
71.23939	2.4
77.03911	1.1
79.05489	62.2
81.03420	1.3
81.07051	84.9
83.04975	6.5
83.08617	16.2
85.06528	5.4
91.05473	36.7
93.07039	78.9
95.04960	7.8
95.08601	39.7
97.05942	1.6
97.06523	11.1
97.10159	3.8
99.08088	3.2
105.04556	2.0
105.07027	20.7
107.08591	36.6
109.06513	3.5
109.10145	14.7
111.08063	5.7
117.07011	11.6
119.08572	15.6
121.10141	34.1
123.11691	4.2
125.09650	1.9
129.07010	3.8
131.08559	19.0
133.10103	14.0
135.08029	1.8
135.11676	16.1
139.11208	1.3
143.08554	4.1
145.10123	14.3
147.11673	5.9
148.11864	1.1
149.13246	29.9
149.45340	1.2
151.11151	1.2
155.08502	1.8
157.10158	4.8
159.11688	19.4
160.56735	1.0
161.13254	5.3
163.14818	1.7
163.53345	1.1
165.12752	1.0
169.10152	2.0
171.11719	3.0
173.13205	5.6
175.14819	1.5
177.12718	5.4
183.11658	2.2
185.13239	3.4
187.14890	3.0
195.13835	6.5
213.16473	1.1
243.21039	1.7
259.20535	1.0
261.22040	5.3
325.25232	1.3
386.47000	1.0
419.33200	1.6
437.34149	5.5
455.35266	2.0
511.37656	2.3
529.38855	100.0
530.38617	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	529.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01856	0.4
55.05504	1.6
55.37436	0.4
57.03426	0.7
63.47092	0.3
67.05496	4.0
69.07056	1.2
69.38241	2.8
69.38665	0.9
71.04975	0.5
79.05479	3.3
81.03432	0.7
81.07050	4.1
82.28382	0.3
83.04979	1.0
83.08626	0.6
91.05463	3.2
93.07030	2.6
95.04951	0.8
95.08607	1.7
97.06522	0.7
97.10153	0.6
105.07004	2.4
107.04923	0.7
107.08565	1.7
109.06509	0.5
109.10168	0.7
117.06975	1.1
119.08578	0.9
121.10130	1.0
123.11730	0.4
124.38120	0.4
129.06985	0.5
131.04890	0.5
131.08572	1.3
133.06604	0.4
133.10121	1.3
135.11707	1.1
138.59212	0.4
143.08571	0.8
145.10095	1.1
147.04462	0.5
147.11696	0.5
149.09628	0.5
149.13298	0.4
155.08560	0.4
157.10109	0.5
159.11694	0.7
163.11154	0.6
171.11754	0.5
177.02158	0.4
183.11679	0.4
247.20705	0.4
257.18924	0.5
275.19989	1.7
278.75571	0.4
327.20407	0.4
365.22949	14.1
366.23099	0.4
441.03873	0.4
493.94144	0.5
511.11371	0.4
511.34308	1.0
529.27704	100.0
529.34686	4.4
530.27997	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	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
53.04145	1.2
55.01869	1.4
55.05506	19.0
57.03434	5.3
57.07066	3.0
58.44555	1.0
63.36554	1.0
65.03942	5.8
67.05499	68.2
69.03413	2.0
69.07058	20.8
69.60605	1.0
70.04317	4.2
71.04981	3.9
73.67801	1.0
77.27953	1.1
79.05485	50.8
80.37262	0.9
81.03400	1.4
81.07047	76.3
83.04974	5.3
83.08612	10.0
85.06532	3.0
91.05470	33.5
93.07036	66.3
95.04944	7.4
95.08596	34.4
97.06515	9.2
97.10174	2.7
99.08110	1.5
105.07025	20.7
107.08585	33.2
109.06529	2.5
109.10146	9.4
111.08088	4.5
115.05464	1.5
117.07021	12.6
119.08574	16.4
119.18414	1.2
121.10133	27.4
123.11707	3.1
129.07014	3.4
130.07658	1.4
131.08551	19.0
131.09468	1.8
131.60634	1.0
133.10135	11.1
135.08061	1.6
135.11665	12.9
139.11203	1.3
143.08524	3.6
145.10112	10.8
147.11705	6.5
149.13239	24.7
155.08517	2.6
157.10114	4.4
159.11678	15.1
161.13289	2.8
163.14850	1.4
169.10136	1.3
171.11667	3.2
173.13269	6.5
175.14818	1.6
177.12781	4.5
183.11786	2.8
185.13232	2.1
187.14813	3.6
189.16420	1.1
195.13802	8.5
197.13214	1.4
201.16306	1.4
243.21190	1.0
256.26440	2.8
261.22192	3.1
299.23865	1.4
317.24622	1.3
388.72089	1.1
419.33334	1.9
437.34009	5.5
455.35245	1.7
473.36548	1.4
511.37985	3.5
529.38879	100.0
530.39343	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	529.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44926	0.4
69.03407	0.5
70.06570	0.8
71.11685	0.7
71.71285	0.8
78.97012	0.5
79.82161	0.5
85.02892	0.7
92.78538	0.5
95.08588	1.0
97.02902	0.8
116.94085	0.6
121.10117	0.7
127.03984	0.5
139.03877	1.9
191.08189	1.7
203.03941	0.6
283.04944	0.5
307.12665	1.2
327.66901	0.6
335.09485	2.1
350.13455	1.4
397.21072	2.0
457.67477	0.6
512.18756	1.7
529.26141	100.0
530.26245	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.7
55.01851	0.3
65.03935	1.2
67.05496	0.2
68.99769	0.8
71.72297	0.2
71.75771	0.2
83.04971	0.3
85.02891	0.2
93.03401	0.5
95.04944	0.3
97.02856	0.2
107.05029	0.2
111.00797	0.9
111.04449	2.0
111.05178	0.3
117.06992	0.6
121.02863	1.3
123.04419	1.8
127.03855	0.2
131.04912	0.7
135.04408	0.4
137.05960	1.6
139.03888	100.0
140.04225	1.3
145.06474	0.7
149.05914	0.3
151.03894	5.5
151.05067	0.4
151.07567	0.5
153.05453	0.5
159.04355	0.3
161.05954	0.5
163.03902	5.6
163.07501	0.9
167.33488	0.2
177.05426	0.3
177.09099	0.3
179.07005	0.8
181.04953	0.5
181.08702	0.2
187.03995	0.2
193.04425	0.2
205.04907	2.0
205.08658	0.5
215.07051	0.2
223.09467	0.2
271.06143	0.3
289.07047	15.0
290.07367	0.2
307.08456	0.2
326.99484	0.3
363.79578	0.2
543.85583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84748	1.5
55.01863	1.6
55.05510	10.4
57.03428	7.1
57.07064	12.3
59.04993	4.3
67.05501	3.3
68.69215	1.5
69.03424	20.5
69.07059	63.1
71.04980	6.2
71.08618	10.7
71.72025	1.9
73.06547	10.8
81.03415	2.1
83.08596	2.1
85.02906	14.9
85.10181	5.8
87.04464	14.1
89.06026	28.6
90.06360	1.7
91.05470	2.7
97.02884	16.0
105.06980	2.2
108.19768	1.8
109.10103	2.6
111.11707	87.2
111.73843	1.9
115.03931	14.5
123.06618	1.7
127.03877	2.1
129.12743	100.0
133.04956	14.1
133.13788	1.7
139.03909	9.4
199.16942	20.9
217.17995	29.9
243.92223	1.7
315.04913	3.8
316.05350	4.3
331.08127	4.6
332.08389	8.4
377.01682	5.1
484.30264	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	527.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
53.28927	0.6
55.01857	3.1
55.05243	1.1
55.05506	20.9
57.03423	3.9
57.07055	2.0
59.04998	1.0
65.03926	2.0
67.05496	38.5
69.03407	2.6
69.06702	0.7
69.07059	10.4
69.96338	2.7
69.96754	1.9
71.04972	1.9
71.08601	0.9
72.65078	0.6
77.03923	0.7
79.05485	30.8
81.03408	27.4
81.07045	32.3
83.04964	4.3
83.08611	13.7
85.06533	1.5
91.05466	26.8
93.07032	28.2
95.04952	11.9
95.08601	19.3
97.02869	0.7
97.06517	2.8
97.10159	10.6
99.08050	0.8
103.05450	1.3
105.07018	21.3
106.71391	0.8
107.04942	2.9
107.08588	15.5
109.06502	2.1
109.10147	13.4
111.08057	3.9
115.05444	2.5
117.06998	9.8
119.08572	16.1
121.06510	1.6
121.10121	11.8
123.08076	1.9
123.11684	2.1
125.09614	7.5
128.06194	1.9
129.06973	10.6
130.07794	0.9
131.04968	1.8
131.08549	20.1
133.06464	1.3
133.10123	8.8
133.11063	1.1
135.08035	2.7
135.11691	8.4
137.09589	1.2
141.06955	3.1
142.07774	2.0
143.08542	9.9
144.09328	0.7
145.10103	13.0
147.08023	1.7
147.11665	8.2
149.09616	2.5
149.13251	4.2
153.09138	0.8
155.08531	5.9
157.10118	11.9
159.08076	0.7
159.11670	10.4
161.13216	4.3
163.11235	0.8
163.14804	1.2
167.03389	3.6
167.08559	3.2
167.57103	0.7
169.10104	6.9
171.11623	6.4
173.11725	1.6
173.13266	6.6
175.11205	4.6
175.14850	2.4
179.08496	1.0
180.09206	0.7
181.10107	3.5
182.10887	0.8
183.11700	5.8
185.13229	6.5
187.14783	3.1
189.11188	4.1
189.12755	1.1
193.10500	0.6
193.12216	14.5
195.11681	3.8
197.13219	4.5
199.14795	2.8
201.16389	1.3
207.11647	1.2
209.13109	1.4
211.14812	3.1
213.16322	2.1
221.13359	0.9
223.14859	2.0
225.16417	1.7
235.16957	0.7
237.16463	0.9
239.17821	1.3
243.20938	1.6
249.14604	1.3
251.17883	0.8
259.20541	0.7
261.22186	5.2
271.09644	4.8
285.18683	1.0
285.22241	1.5
287.20041	1.4
295.20615	0.9
297.22165	0.9
299.20334	0.9
299.23703	2.5
301.25314	3.1
309.22125	1.3
311.23602	1.0
315.23346	1.1
317.24625	1.0
323.23663	1.1
327.23251	2.1
341.24609	1.1
355.26416	1.1
379.26379	1.6
407.33282	1.0
417.31287	4.5
435.32535	13.4
438.75369	0.8
453.33679	11.9
471.34637	8.4
491.35132	2.1
509.36032	4.8
527.37262	100.0
528.37366	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	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01857	2.6
55.05246	1.0
55.05508	15.6
57.03437	3.2
57.07052	2.0
60.12846	0.6
60.40752	0.6
65.03932	2.1
67.05500	29.1
69.03421	1.2
69.07056	10.1
69.07394	1.0
69.53984	0.6
70.78762	0.7
70.79085	1.3
70.81142	0.6
71.04978	1.6
73.81071	0.6
78.54494	0.5
79.05488	22.6
81.03416	12.0
81.07050	26.9
83.04980	3.0
83.08614	9.4
85.06524	1.4
91.04883	0.7
91.04993	0.4
91.05473	17.9
93.07040	18.9
93.07609	1.2
93.74049	0.5
95.04961	6.0
95.08601	18.4
97.06522	1.5
97.10172	6.7
103.05461	1.5
105.07020	19.4
107.04939	1.1
107.08589	12.6
109.06499	1.0
109.10146	7.4
111.08070	2.1
115.05434	1.6
116.06194	1.0
117.07005	12.8
119.08573	13.5
121.06493	1.0
121.10133	8.8
123.08046	1.5
123.11732	1.6
125.09605	4.2
128.06216	4.1
129.07008	11.6
130.07751	0.7
131.08556	19.9
133.06532	1.0
133.10123	8.5
135.08046	1.5
135.11679	4.5
137.06151	0.6
137.09601	0.8
141.06953	4.1
142.07800	2.4
143.08549	13.8
144.09331	0.6
144.86934	0.6
145.10109	15.3
147.07986	1.0
147.11665	5.8
149.09622	1.3
149.13258	2.6
154.07797	1.4
155.08546	8.9
156.09319	1.8
157.10117	14.7
157.11421	0.8
159.11682	11.6
161.09737	0.8
161.13258	2.9
166.07750	1.0
167.03395	0.8
167.08562	3.2
168.09363	1.4
169.10123	12.0
169.11508	0.8
171.11673	11.8
173.09662	1.0
173.13246	6.8
175.11143	1.6
175.14848	1.6
179.08647	0.9
179.14185	0.7
181.10089	3.6
182.11008	0.9
183.11684	8.3
185.13239	6.8
187.11166	0.9
187.14810	3.4
189.11256	1.9
193.10417	1.3
193.12279	5.4
195.11668	4.6
197.13264	6.3
199.14816	5.3
201.16408	1.3
207.11678	1.3
209.13240	3.2
211.14873	4.8
213.16409	2.7
219.11737	0.8
221.13264	2.0
223.14806	3.2
225.16470	1.9
233.13464	0.6
235.14871	1.8
237.16507	1.2
241.19664	1.1
243.21045	0.7
251.17982	1.7
255.17535	0.8
255.21184	0.7
257.18945	1.3
259.20746	0.7
261.22260	1.6
269.19061	0.8
271.09808	1.2
271.20523	0.7
273.22073	0.6
283.20615	1.4
283.24097	0.8
297.22064	1.6
299.20200	0.7
299.23633	1.1
301.21814	0.9
301.25159	1.4
309.22089	1.5
311.23593	1.4
313.21628	1.0
317.24692	1.1
323.23639	2.0
325.21591	0.7
325.25354	1.4
327.23068	0.9
335.23642	0.9
337.25208	0.8
339.23373	0.8
341.24832	1.6
347.23767	0.9
349.25528	0.7
353.24960	0.8
355.26608	0.8
417.31406	4.1
425.34250	0.7
435.32599	15.6
453.33780	8.6
471.34891	4.5
486.61459	0.7
491.35199	1.8
509.36172	7.4
527.37299	100.0
528.37579	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	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01860	1.6
55.05507	16.0
56.20535	0.8
57.03415	3.2
57.07076	1.0
65.03931	1.7
67.05498	34.0
69.03431	1.1
69.07060	11.3
70.68024	1.6
71.04984	2.8
79.05483	25.3
81.03413	15.9
81.07051	30.0
83.04961	2.5
83.08607	10.2
85.06547	1.7
87.28591	0.8
91.05472	24.4
93.07038	22.6
93.07528	0.8
95.04974	8.3
95.08599	19.2
97.06524	3.2
97.10147	6.5
102.06939	0.8
105.04530	1.0
105.07018	19.3
107.04936	1.4
107.08591	12.9
109.06519	2.5
109.10156	11.4
111.08049	1.8
115.05446	1.3
117.07023	8.9
119.08566	13.8
121.06500	0.9
121.10136	9.0
123.08046	0.9
123.11707	1.2
125.09632	4.3
128.06210	2.1
129.07013	9.9
131.04962	0.9
131.08563	17.2
133.10112	11.2
135.08060	1.4
135.11714	4.5
137.09633	1.1
141.07004	3.4
142.07806	1.7
143.08545	13.6
145.10097	16.2
147.11671	6.8
149.09532	2.0
149.13263	3.5
151.11221	1.2
153.06967	1.2
155.08554	7.7
157.10136	11.8
159.11693	11.2
161.13226	1.8
163.14725	1.2
167.03406	1.4
167.08580	2.5
168.09393	1.2
169.08815	1.3
169.10152	8.5
171.11646	10.9
173.11800	1.6
173.13217	7.4
175.11253	1.9
175.14804	1.6
181.10156	3.3
183.11658	8.3
185.13251	7.9
187.14830	3.5
189.11220	2.6
193.12221	7.8
195.11725	3.8
197.13243	6.0
199.14767	4.2
201.16454	1.7
207.11676	0.9
209.13240	2.7
211.14832	2.5
213.16400	1.6
221.13264	2.0
223.14848	2.5
225.16513	0.9
235.15027	1.2
237.16367	1.7
239.18054	0.9
251.18011	1.0
255.06586	1.6
259.20520	1.3
261.22119	1.9
265.19528	1.0
271.09692	1.6
285.22266	1.0
297.22070	1.3
299.23700	1.3
301.25439	1.7
309.22205	1.1
311.23596	1.2
315.23355	1.0
327.23190	1.1
417.31604	5.6
435.32635	12.3
453.33652	10.6
471.34790	5.9
473.33698	1.2
509.36316	6.4
527.37292	100.0
528.37506	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	527.246
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46238	0.3
71.67495	0.4
138.56479	0.3
139.03899	0.4
170.23123	0.4
221.99600	0.3
359.84018	0.3
395.19995	0.9
437.21756	0.4
527.24585	100.0
528.24829	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46291	0.7
53.03942	2.5
55.01875	2.3
55.05508	12.2
57.03421	3.3
57.07083	1.5
65.03922	1.4
67.05498	24.3
69.07058	12.5
71.04984	2.9
71.72646	1.5
71.73015	1.0
77.03024	0.7
79.05486	19.7
80.60481	0.8
81.03413	4.9
81.07051	26.9
83.04986	2.0
83.08617	5.9
85.06553	1.2
91.05476	18.4
93.07040	18.1
93.07590	1.4
95.04969	3.9
95.08599	15.4
97.06543	2.4
97.10147	2.7
105.07015	16.1
107.08595	9.2
109.06512	1.5
109.10143	7.3
111.08063	1.5
115.05474	1.5
117.07006	10.7
119.08568	14.9
121.10156	6.6
123.08065	1.0
123.11694	1.7
125.09633	1.1
128.06229	3.5
129.06985	11.5
131.04941	1.1
131.08551	14.9
133.10130	10.1
135.11659	3.9
139.11159	1.3
141.07004	2.7
142.07761	2.4
143.08542	13.7
144.09302	0.9
145.10117	15.6
147.11693	6.2
149.13304	3.1
155.08534	8.1
156.09320	1.8
157.10129	13.9
158.10857	1.1
159.07983	1.0
159.11688	13.4
159.12976	1.0
161.13231	1.9
167.08574	2.8
168.09245	0.9
169.10136	10.8
171.11691	11.2
173.13223	6.4
177.12807	1.1
181.10139	4.6
183.11684	10.3
184.12199	1.3
185.13234	8.5
187.14865	3.7
189.11195	1.1
192.09288	0.9
193.10172	1.1
193.12218	1.2
195.11746	5.4
195.13760	1.6
197.13203	5.4
199.14839	5.5
201.16351	1.2
207.11740	1.8
209.13326	3.1
211.14900	2.8
213.16338	1.6
214.60997	0.9
221.13354	1.8
223.14798	2.5
225.16405	2.2
235.14714	1.3
237.16367	1.4
241.19560	1.3
251.18021	1.4
257.19031	1.0
259.20633	1.9
271.09683	1.6
283.20563	1.5
295.20636	1.2
297.22223	2.5
309.22137	1.2
311.23709	2.2
313.21738	0.9
315.23233	2.8
323.23621	1.1
325.21524	1.0
325.25159	1.5
327.23154	1.1
337.25266	1.3
339.23151	1.2
341.24551	1.1
367.26340	1.1
375.26227	1.0
407.33423	1.3
417.31436	4.2
423.28128	0.9
425.33627	0.9
435.32520	14.6
453.33423	6.0
454.59982	1.1
467.49472	1.0
471.34723	3.0
491.35538	1.0
509.36313	8.3
524.90533	0.9
527.37305	100.0
528.37915	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	527.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.7
54.75061	0.2
55.01863	0.3
55.05466	0.2
59.33437	0.2
65.03933	1.5
67.05496	0.4
68.99779	0.8
71.72863	0.3
81.03400	0.3
83.04996	0.4
93.03409	0.3
95.04958	0.3
97.02863	0.2
99.50085	0.2
107.04936	0.2
108.37919	0.2
111.00803	0.8
111.04437	1.5
114.05437	0.2
114.32296	0.2
121.02881	1.5
123.04427	2.0
133.02843	0.2
135.04399	0.7
137.05966	3.7
139.03893	100.0
140.04237	0.8
143.04944	0.2
145.02806	0.2
149.05972	0.5
151.03902	5.8
153.01910	0.2
153.05392	0.2
159.04422	0.2
161.05968	0.4
163.03896	5.1
167.06938	0.3
168.18150	0.2
177.05447	0.4
179.07013	1.1
181.04921	0.5
201.05496	0.2
203.07030	0.2
205.04965	1.3
221.08076	0.5
243.06464	0.2
264.77924	0.2
271.06113	0.2
289.07050	12.7
341.10400	0.2
453.19031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.16
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
52.66878	0.8
59.06837	1.0
59.10186	0.7
69.03413	3.1
71.71965	1.6
73.02912	1.3
78.31860	0.9
85.02890	6.1
97.02876	1.4
98.87352	0.7
98.97551	1.0
127.03910	3.7
131.44296	0.7
145.04977	2.0
161.03001	1.1
185.04172	5.0
201.00609	0.9
203.05310	8.6
204.27032	0.9
245.05106	3.1
247.04871	1.5
274.08157	2.2
274.58255	1.5
279.03949	1.3
305.08362	1.5
342.05939	0.8
347.09393	5.8
365.10513	83.9
490.46472	0.9
527.15802	100.0
528.16180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03434	13.3
59.04986	3.5
60.04510	1.7
61.02920	2.1
61.31683	1.2
69.03423	47.5
70.06561	1.4
70.30546	5.6
70.93746	1.3
72.08137	1.3
72.15944	1.2
75.04471	1.8
79.05486	5.2
81.03402	2.4
81.07036	3.0
85.02896	31.2
87.03961	2.5
87.04463	33.5
91.05467	11.1
93.07018	1.2
95.08601	1.6
97.02888	36.8
97.03493	2.4
99.04448	1.3
103.05428	2.6
105.07018	100.0
107.04931	1.9
109.02819	1.3
109.06514	2.5
115.03924	47.3
115.67160	1.3
117.07022	1.2
123.04446	4.4
127.03886	3.4
131.04945	3.5
133.04953	46.3
133.06525	3.2
137.05969	33.7
139.03894	7.4
145.04994	4.1
147.04317	1.7
150.07614	5.6
151.03850	1.8
160.05193	2.2
161.05942	9.3
165.05453	1.3
169.05035	1.6
173.05978	2.8
177.05565	1.4
179.06969	2.1
185.19913	1.4
192.07794	1.8
202.06210	2.7
205.05057	1.2
215.10664	68.3
226.72385	1.2
227.10547	1.6
233.04306	1.6
239.10657	22.9
241.07132	1.5
250.30099	1.1
251.10579	7.6
257.11710	33.7
259.08130	2.3
281.11725	9.1
289.03436	2.1
293.11734	11.7
305.11771	1.6
311.12762	17.3
317.02869	2.5
323.12881	2.9
341.13776	2.6
347.14856	2.8
377.16150	1.8
431.28610	1.4
468.17554	1.5
475.24841	1.4
509.10870	3.5
527.11664	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	525.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01861	1.2
55.05294	1.1
55.05511	15.0
57.03411	2.4
57.07070	54.6
58.52200	1.2
60.01943	1.3
65.03919	4.1
66.80184	1.2
67.05499	94.1
69.03410	2.9
69.07061	20.0
69.36043	6.4
69.36469	8.0
71.04985	74.9
71.08627	37.9
77.71231	1.4
79.05489	18.9
81.03417	2.3
81.07051	34.7
83.04968	9.4
83.08614	15.9
85.02902	1.3
85.06526	3.3
85.10176	18.6
91.04935	2.5
91.05472	29.8
91.06052	1.6
92.40627	1.2
93.07030	28.1
95.04956	4.5
95.08594	43.7
97.06512	6.3
97.10158	9.6
98.20788	3.0
99.08096	1.9
103.09087	1.3
105.07025	1.9
107.08588	10.9
109.06519	1.7
109.10149	83.8
111.08087	1.6
111.11691	1.5
113.51019	1.1
117.07019	3.8
118.54915	1.2
119.08574	19.8
121.06503	1.4
121.10124	7.9
123.11689	4.4
133.08574	1.4
135.11688	21.3
137.09605	28.3
137.13248	1.5
145.10086	6.4
155.10683	6.6
163.11183	6.9
169.12224	8.8
173.11752	3.5
181.12204	8.3
181.28740	1.0
195.13680	1.3
213.14790	2.0
232.22809	1.3
239.23691	11.3
243.15907	1.5
255.15845	2.0
269.17560	3.9
271.15436	5.3
313.27301	3.4
339.29016	3.1
341.26941	4.2
481.38861	32.2
493.38870	2.8
525.41486	100.0
526.41785	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01856	2.8
55.05280	1.1
55.05511	13.8
57.03421	4.2
65.03913	1.5
67.05499	24.1
69.07071	9.6
69.10806	0.9
71.04988	2.5
71.71871	1.2
79.05486	16.0
81.03407	1.8
81.07050	21.0
83.04977	2.2
83.08621	6.6
85.06534	1.8
91.04920	1.6
91.05466	17.5
93.07034	17.1
95.04961	3.7
95.08597	13.7
97.06508	2.3
97.10167	3.2
97.27919	0.8
101.84007	0.8
105.07020	13.2
107.04951	1.4
107.08585	8.3
109.06503	2.8
109.10146	5.9
111.08073	1.0
115.05441	1.3
117.07018	9.4
119.08564	11.9
121.10150	4.7
123.08019	1.0
125.09628	2.3
128.06207	5.6
129.06990	15.0
130.07759	0.8
131.08556	15.7
133.06514	1.0
133.10120	6.6
135.08060	1.9
135.11665	2.5
137.09637	1.3
141.06978	8.1
142.07785	4.4
143.08560	17.1
143.09659	1.5
144.09416	1.0
145.10118	12.0
147.04524	0.8
147.11703	3.7
149.09610	1.0
153.07019	3.3
154.07755	2.3
155.08545	20.1
156.09328	2.5
157.10103	15.0
159.08055	2.0
159.11719	7.4
161.13222	1.2
165.06970	2.0
166.07787	2.0
167.08556	8.7
168.09343	3.0
169.10126	20.5
171.11688	13.4
173.13310	2.9
175.14815	0.9
178.07724	1.2
179.08557	3.3
180.09377	1.1
181.10101	15.0
182.10901	2.9
183.08188	1.1
183.11684	19.5
185.09731	1.4
185.13235	9.0
187.11176	1.1
187.14864	1.7
191.08429	1.3
192.09349	1.4
193.10046	5.9
194.10942	1.4
194.76367	1.0
195.11684	13.2
196.12576	1.1
197.09657	1.0
197.13240	12.6
199.14742	4.3
201.16411	1.2
205.10159	2.1
207.11673	5.4
209.13255	10.6
211.14743	6.0
213.14680	1.2
219.11713	2.4
221.13217	5.9
223.14801	5.5
225.12758	1.0
225.16437	2.0
228.88963	1.0
233.13388	2.0
235.14827	3.2
237.16435	3.2
239.17967	1.9
247.14740	2.0
249.16402	3.2
261.16293	1.9
263.18060	2.4
265.19476	1.1
277.19418	1.4
283.20520	1.6
291.21045	1.8
293.19028	1.3
295.20633	1.9
297.18527	1.6
297.21832	1.2
299.20151	1.4
305.22327	1.0
307.20569	2.2
309.22089	1.4
311.20007	1.2
313.21652	2.4
321.22165	3.9
323.20264	1.2
323.23749	2.1
325.21667	2.2
327.23367	0.9
333.22076	2.1
335.23709	2.8
337.21585	1.4
339.23264	2.9
349.25211	1.3
351.23227	1.9
353.24884	1.7
359.23425	1.0
365.24887	2.0
369.24573	1.1
405.31705	1.2
415.29907	10.5
423.32529	1.4
433.31003	26.5
451.32092	16.6
466.12692	1.0
469.33093	5.5
471.32770	3.7
489.33762	3.6
507.34665	17.1
525.35754	100.0
526.36005	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	3.6
53.03933	6.3
55.01873	20.0
55.05504	47.6
57.03419	12.5
57.07070	8.7
59.04990	17.7
65.03931	5.4
66.57543	3.4
67.05496	83.1
67.71592	3.2
68.99798	4.4
69.03419	7.4
69.07055	29.0
69.40218	3.2
71.04993	31.8
71.71360	4.6
74.37576	3.0
79.05486	85.3
81.03411	55.4
81.07050	91.8
82.05593	3.4
83.04977	26.2
83.08613	26.8
83.17974	3.4
85.02896	13.3
85.06512	17.8
87.04455	4.2
91.05470	80.0
93.07035	74.7
95.04951	38.4
95.08603	38.9
97.02903	4.4
97.06522	22.1
97.10171	21.1
98.97626	3.3
99.08095	4.4
105.07017	50.4
107.04928	17.2
107.08588	52.1
109.06510	11.1
109.10158	23.9
111.04456	19.7
111.08064	19.1
113.06007	6.1
117.07004	17.0
119.08584	43.0
121.06494	9.7
121.10120	45.4
123.04398	8.5
123.08047	13.3
123.11709	6.3
125.09612	17.1
125.83292	3.0
129.07001	25.9
131.04921	5.1
131.08553	42.3
133.10106	33.8
135.04370	4.3
135.08046	23.2
135.11642	18.7
137.05984	7.2
137.09612	6.8
139.03891	100.0
139.07570	4.0
143.08551	7.4
145.06511	5.9
145.10091	19.9
147.07999	7.6
147.11664	30.9
147.78133	2.8
149.09604	37.4
149.55356	3.0
151.03929	6.7
151.11150	5.8
153.09106	9.6
153.12698	6.9
155.08482	7.2
157.10078	13.8
159.11671	6.6
161.05991	8.9
161.09618	7.3
163.03909	14.4
163.07568	3.3
163.11151	27.3
165.12749	8.6
167.10632	7.3
169.09990	7.3
171.06581	3.4
171.11656	6.2
173.09630	6.0
175.11150	20.5
177.12724	11.8
178.84515	3.5
181.08560	4.7
181.12267	8.5
184.07295	3.5
185.13278	5.8
189.11194	13.3
191.10568	8.4
193.12216	52.8
193.68565	4.0
197.15254	4.1
199.13268	6.5
205.04919	4.3
205.08530	4.4
209.11682	12.0
211.13266	79.6
223.13268	5.3
225.14853	16.8
227.12668	20.2
237.14864	18.0
241.14247	4.3
249.14864	9.9
253.14148	4.6
259.15454	5.9
267.15936	10.7
283.15494	8.6
289.07086	23.7
337.21307	5.1
355.22610	6.1
365.21164	11.9
373.23776	4.9
383.22092	22.6
401.22964	22.5
415.24658	6.0
433.25720	13.8
457.25876	9.3
475.26895	20.4
493.27899	20.9
507.29572	46.5
525.30566	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87255	2.2
56.96552	11.9
69.76556	4.0
69.76972	7.8
75.31011	1.9
98.21491	2.9
98.97572	56.8
116.97777	3.5
116.98612	67.2
119.01897	2.3
124.99809	1.9
134.99646	45.7
140.00111	2.4
151.04645	2.1
153.00696	6.9
158.01195	2.9
177.00925	6.4
179.00749	2.2
182.41458	1.5
218.36864	1.9
219.01997	5.8
220.02080	3.2
232.96585	2.2
234.99957	4.1
240.98805	5.6
243.01817	2.3
256.96600	2.6
258.99768	61.0
259.99930	5.1
261.00214	3.1
261.03000	24.0
262.03174	7.6
263.02887	4.4
274.97598	5.2
275.97931	2.2
277.00809	100.0
278.01004	6.7
279.00644	5.1
279.69785	1.7
282.01315	5.6
282.99802	11.8
283.99893	3.2
284.04565	2.2
292.98889	3.2
300.02420	6.1
301.00970	20.2
302.01202	5.6
303.00729	4.8
316.98880	7.2
317.98871	3.5
344.30411	1.8
354.93594	3.2
355.93820	5.8
356.93527	3.1
359.00253	3.9
382.99744	15.6
396.94730	3.3
397.94644	6.7
398.94379	3.8
401.00970	70.6
402.01105	5.2
419.02307	11.5
424.02396	9.5
439.95654	2.7
443.02066	5.7
444.01904	2.6
459.99966	2.6
482.93558	2.7
483.03592	3.9
499.84891	2.1
500.93466	2.2
506.99670	2.5
510.92331	1.9
519.91370	7.3
520.91205	4.3
524.94177	2.1
525.01147	33.3
536.92145	2.5
537.92200	7.3
538.92102	4.1
542.99750	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	524.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.1
57.03433	3.1
61.22423	1.3
65.03943	1.6
67.05499	32.3
69.07054	5.8
70.37634	6.5
79.05480	14.7
81.07054	31.1
83.04935	1.7
83.08617	7.0
91.05473	20.5
93.07025	17.2
95.08598	25.1
97.06516	3.9
97.10168	4.2
105.06994	5.0
107.08598	11.6
109.10146	13.7
111.08057	4.7
117.06997	2.6
119.04947	20.6
119.08539	4.6
121.10145	20.5
123.11707	5.6
124.15948	1.4
131.08553	7.9
133.10121	10.8
135.11678	15.2
137.09572	2.2
137.13297	1.5
145.10104	3.8
147.04396	100.0
147.11642	4.2
149.13242	6.2
151.11150	2.6
159.11662	3.2
165.05499	6.5
173.13217	2.1
187.14525	1.5
215.17932	16.3
221.08066	2.8
233.18965	20.5
235.20567	5.3
236.01205	1.5
251.20045	5.9
289.21619	3.2
295.05002	1.5
307.22696	9.8
325.23703	71.0
326.24045	1.6
357.41876	1.4
453.26022	1.7
471.27264	9.9
489.28421	5.4
525.35358	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	524.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.5
57.03429	2.7
65.03919	1.6
67.05494	24.1
69.07063	7.4
69.53131	7.8
69.53557	3.2
72.49907	1.2
79.05489	10.3
81.07045	29.0
83.04978	1.5
83.08609	4.8
91.05463	13.7
93.07035	11.6
95.04924	1.5
95.08017	1.8
95.08596	26.0
97.06517	2.9
97.10151	2.1
98.20717	1.8
105.07021	5.1
107.08586	9.1
109.10159	11.5
111.08078	1.7
117.07001	2.0
119.04916	18.6
119.08549	4.1
121.10129	16.4
123.11673	4.1
131.08546	5.3
133.10107	8.5
135.11671	11.1
137.09599	1.8
145.10098	2.6
147.04395	100.0
147.11632	1.8
149.13243	2.6
151.11140	2.2
165.05424	6.0
173.13231	1.5
191.17773	1.3
215.17834	9.6
221.04468	1.4
221.08000	4.2
233.18942	13.0
235.20491	4.0
248.28825	1.4
251.19942	7.6
279.13184	1.5
289.21582	2.1
307.22656	4.6
325.23688	51.7
326.24100	1.8
471.27472	4.0
489.28354	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	524.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31289	1.4
61.02926	7.4
67.01901	1.4
69.03401	1.5
69.53152	7.8
69.53564	4.4
73.02892	2.5
73.04927	1.3
74.62148	1.3
85.02894	5.1
85.06545	1.3
91.03958	2.0
91.05467	3.1
97.02880	4.6
107.04979	1.4
119.04950	4.4
127.03937	2.4
134.05994	3.1
135.04396	2.7
139.03850	2.9
141.87753	1.3
143.03371	1.6
147.04395	9.0
153.01819	40.1
153.03073	2.0
153.05423	2.9
162.05569	5.0
163.03851	22.5
164.04590	3.7
165.01817	3.0
165.05428	1.9
178.04990	2.1
180.02840	1.8
180.06502	12.8
182.08128	7.6
192.06583	3.8
193.04944	3.1
206.10237	2.2
208.06038	16.7
210.07648	3.9
225.05420	3.4
233.04356	1.7
243.06516	32.5
253.05043	6.2
271.05936	4.9
273.03830	2.5
274.04767	1.6
281.04346	4.2
281.07397	1.5
288.06348	4.0
289.07086	11.2
299.05466	30.7
303.05093	2.8
317.06403	1.8
319.04504	15.3
327.04984	100.0
328.05295	1.9
344.07770	14.3
345.02554	3.1
345.05997	43.7
362.08701	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.2
57.03413	5.5
63.19954	5.6
63.26826	5.6
69.03423	28.1
69.07047	8.6
70.06577	8.6
71.11420	12.8
71.11776	6.0
78.44637	5.5
78.99266	6.5
81.03394	7.8
81.07038	15.8
83.08584	9.5
83.91200	5.7
84.04485	9.0
85.02889	27.0
85.88085	5.9
86.09674	6.1
87.04440	13.2
93.07026	12.6
95.08606	26.9
97.02887	19.3
100.11259	11.6
103.05446	5.7
105.07059	7.5
107.08566	18.2
109.10117	7.2
111.04415	5.5
115.03909	21.8
121.10115	42.9
123.04415	5.3
126.13623	5.2
127.03889	8.9
131.04893	6.8
133.04956	20.0
135.04399	6.7
135.11682	11.0
137.05972	72.6
137.74693	6.1
138.06731	9.9
139.03920	13.5
147.04298	5.5
153.01857	5.7
154.12276	5.7
163.07491	10.5
163.42241	7.3
167.06868	7.5
174.06683	9.1
175.07544	12.2
177.16379	100.0
189.09090	19.4
194.09299	7.1
195.17432	16.6
213.18489	43.0
219.10040	6.5
295.13324	7.9
299.56320	6.0
319.04489	10.9
320.04840	21.9
490.69333	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	524.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85736	2.7
57.03429	4.8
61.02918	3.1
68.99786	4.5
71.04989	33.8
71.47689	6.3
79.01833	4.2
84.04490	5.1
85.02898	37.4
99.04453	4.7
129.05484	9.1
134.05983	6.2
137.02338	15.3
143.03441	3.4
146.08115	6.4
149.17439	2.5
153.01819	75.3
153.60223	2.7
163.03868	4.9
164.09192	2.9
178.05017	3.3
180.06490	4.0
190.10675	6.2
208.06049	4.5
209.04430	5.9
231.02802	3.6
241.05009	5.0
245.04395	8.0
255.02863	3.4
259.05890	3.9
269.04480	8.4
271.05997	3.7
273.03961	4.0
287.05515	6.7
291.04898	3.8
297.03958	4.7
301.03577	4.3
314.06491	5.3
315.04980	9.8
317.02811	6.9
317.06583	5.5
319.04465	27.8
327.04938	4.7
327.59866	2.9
332.07626	17.4
335.03952	4.3
342.06229	6.3
343.00534	6.1
343.04477	94.0
344.07675	5.7
360.07086	100.0
361.05441	21.4
378.08194	35.1
444.97629	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49559	3.7
55.05504	18.1
57.03432	8.1
57.07069	47.2
67.05502	29.9
69.07053	17.4
71.08623	25.6
79.05479	16.8
81.03409	42.9
81.07058	34.4
83.04971	6.5
83.08604	28.1
85.02909	20.7
85.10175	18.8
91.05467	21.4
93.07026	9.2
95.04971	21.9
95.08599	29.1
97.02858	4.4
97.10168	7.0
105.07013	16.3
109.10136	11.7
111.08056	5.4
113.06003	4.4
119.08562	8.5
121.10150	7.4
123.11698	5.9
129.06993	7.1
133.10112	4.9
147.11702	8.7
157.10104	10.3
165.12703	3.8
175.11192	12.5
181.59337	3.9
193.12260	43.4
211.13315	52.1
229.51575	5.1
239.23575	8.2
313.27151	4.6
523.39868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
54.95987	3.3
55.05514	19.0
57.03415	10.9
57.06812	3.7
57.07071	61.9
67.05502	31.2
67.78375	3.4
69.07040	15.5
70.12534	20.6
71.04945	5.5
71.08620	39.8
79.05496	18.9
81.03408	68.8
81.07050	48.2
83.03503	3.2
83.04965	10.1
83.08604	34.4
84.38248	3.8
85.02894	21.2
85.10161	15.5
91.05477	21.2
93.07024	13.8
95.04976	22.2
95.08593	37.9
97.02870	3.9
97.10131	10.7
105.07014	17.2
107.04919	6.9
107.08569	6.7
109.10136	14.5
111.08070	10.3
119.08580	16.0
121.10119	7.4
123.11674	6.2
129.07047	7.9
131.08519	7.5
134.09845	4.2
147.07988	4.6
147.11661	12.4
149.09500	5.9
152.09915	3.8
157.10104	7.0
168.66783	3.5
175.11148	11.5
175.66518	3.4
193.12231	57.4
211.13271	49.1
239.23703	11.0
247.62268	3.5
249.14806	4.8
267.15906	33.2
269.13431	3.6
313.27365	39.9
360.00299	4.0
505.39020	22.8
523.39856	100.0
524.39648	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	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01863	2.2
55.05506	13.2
56.07816	1.2
57.03431	5.7
57.07074	44.7
65.03918	1.3
67.05499	29.6
69.03432	1.4
69.07066	10.2
70.32763	1.2
71.04985	3.8
71.08626	29.0
79.05488	16.5
81.03411	38.8
81.07051	33.9
83.04967	8.4
83.08620	23.4
85.02898	22.5
85.06556	1.9
85.10180	16.1
87.04398	1.5
91.05479	18.2
93.07024	11.2
95.04959	16.2
95.08601	28.7
97.02868	1.6
97.06522	1.6
97.10165	9.2
105.07023	15.9
107.04939	4.7
107.08576	4.0
109.06542	2.7
109.10144	15.0
111.04419	2.0
111.08092	6.2
111.11639	1.6
113.05959	2.1
115.05446	1.5
116.16870	1.3
117.06958	1.4
119.08598	12.6
121.10143	5.7
123.08094	1.8
123.11697	8.7
129.06992	8.2
131.08557	7.5
133.06462	1.8
133.10143	5.9
137.09615	2.0
137.13226	2.9
142.07782	2.3
143.44113	1.4
147.11671	8.7
149.09639	4.8
157.10117	10.7
165.12732	2.9
175.11168	10.5
193.12230	45.7
211.13278	48.4
239.23689	6.8
267.15811	6.1
312.36728	1.2
313.27429	6.7
429.23068	1.4
461.63528	1.8
505.38541	3.9
523.39905	100.0
524.40289	4.0
540.20160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01870	1.6
55.05508	15.3
57.03428	6.0
57.07072	40.5
59.05026	0.7
65.03939	1.4
67.05499	25.2
69.03426	1.7
69.07059	11.0
70.84807	2.1
71.04987	2.9
71.08627	28.0
79.05484	15.3
81.03413	38.2
81.07050	30.5
83.04977	6.7
83.08614	23.3
85.02902	21.1
85.06543	1.5
85.10181	12.8
91.05478	15.3
93.07048	8.2
95.04964	18.3
95.05529	1.4
95.08601	26.4
97.02896	2.1
97.06542	2.1
97.10162	6.9
99.11765	1.0
105.07017	11.0
107.04952	2.4
107.08585	3.7
109.06503	2.4
109.10153	12.0
111.04457	1.5
111.08075	7.7
111.11725	2.3
113.05994	1.9
115.05417	1.3
119.08569	10.9
121.10125	5.5
123.08106	0.9
123.11673	5.3
125.09619	1.3
125.13223	1.3
129.06987	6.1
131.08551	7.4
133.10138	4.9
137.13237	1.5
142.07773	0.9
147.08058	2.5
147.11673	9.5
149.09631	2.7
151.14821	1.6
157.10127	6.9
165.12756	1.8
175.11191	9.8
193.12233	41.6
211.13286	46.2
239.23732	7.2
249.14946	1.0
267.15872	4.9
313.27341	4.2
394.85571	0.9
412.82623	0.9
505.38879	2.0
523.39917	100.0
524.39966	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	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01865	1.2
55.05502	17.4
57.03429	7.2
57.07071	43.1
61.67110	1.4
65.03916	1.4
67.05503	27.6
69.03419	3.1
69.07061	11.1
70.14087	2.0
70.14487	4.2
71.04978	4.0
71.08250	2.0
71.08624	30.5
79.05483	14.5
81.03411	37.0
81.07050	35.8
83.04977	6.4
83.08616	27.9
85.02895	19.8
85.06549	2.6
85.10172	14.8
91.05475	20.7
93.07029	10.1
95.04965	16.3
95.08598	30.7
97.02882	2.0
97.06523	1.8
97.10171	8.2
98.79064	1.1
99.11710	1.2
105.07025	15.2
107.04936	2.8
107.08581	3.4
109.06506	1.6
109.10155	12.1
111.04469	1.9
111.08101	7.5
113.06004	1.4
117.36382	1.3
119.08575	12.0
121.10135	5.6
123.08050	1.4
123.11726	8.3
125.09570	1.5
129.06987	6.8
131.08559	7.4
133.06430	1.6
133.10132	5.1
137.13240	3.6
142.07788	1.3
147.08072	2.3
147.11687	10.6
149.09618	3.8
157.10162	9.4
165.12737	2.0
175.11159	10.8
176.60416	1.3
193.12230	47.7
193.14014	2.5
194.12651	1.2
211.13277	47.7
222.52260	1.2
239.23708	7.7
249.14816	1.8
267.15875	3.6
313.27197	7.0
381.86557	1.2
456.08890	1.3
505.38687	3.2
523.39905	100.0
524.40210	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	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01858	2.0
55.05501	12.3
56.10243	1.1
57.03421	5.7
57.06803	2.3
57.07071	43.6
65.03922	1.4
67.05495	28.2
69.03433	1.8
69.07066	14.0
70.14275	2.0
70.14690	4.0
71.04986	3.6
71.08624	27.3
79.05489	14.0
80.85764	1.2
81.03409	45.8
81.07049	33.5
83.04958	7.2
83.08613	31.0
85.02900	21.7
85.06523	2.0
85.10176	17.7
87.75872	1.1
91.05473	18.5
92.68640	1.1
93.07040	10.4
95.04960	19.4
95.08010	2.2
95.08602	31.1
97.02850	1.8
97.06522	1.9
97.10157	9.0
99.11709	1.5
105.07014	11.7
107.04966	2.5
107.08584	4.7
109.06480	2.8
109.10143	11.3
111.04458	1.3
111.08075	6.2
111.11653	1.7
113.06014	2.1
119.08570	12.8
121.10124	5.1
123.08057	1.2
123.11677	5.6
129.07007	5.9
131.08565	7.5
133.06436	3.2
133.10103	7.1
137.09607	1.4
137.13275	2.3
142.07776	2.3
147.08125	1.7
147.11688	10.2
149.09644	5.2
157.10068	9.7
165.12781	2.8
175.11182	9.4
193.12222	47.3
211.11221	2.6
211.13271	54.6
212.13615	1.3
231.66515	1.1
239.23761	5.9
267.15808	5.7
292.25055	1.2
313.27383	4.9
460.21707	1.3
505.38733	3.1
523.39923	100.0
524.40479	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.05511	16.9
57.03435	2.4
57.07069	45.2
59.91140	1.4
65.03926	2.4
67.05153	2.7
67.05499	43.3
69.03429	1.6
69.07059	22.1
69.62412	11.8
71.04984	4.2
71.08259	2.6
71.08627	38.6
73.90764	1.4
79.05486	17.6
81.03407	7.7
81.07051	100.0
83.04984	7.4
83.08612	27.6
85.02905	3.3
85.06533	4.7
85.10178	18.8
91.05482	19.1
93.07050	11.9
95.04943	4.7
95.08599	42.4
97.06503	3.4
97.10155	6.7
99.08092	3.4
102.74754	1.7
105.07017	30.5
107.08575	11.5
109.06512	5.9
109.10149	15.6
111.08125	2.4
111.11700	1.7
115.05402	1.4
117.07014	2.2
119.08562	24.9
121.10133	19.1
123.08080	3.6
123.11703	28.4
127.07565	3.3
131.08601	1.9
133.10109	2.8
137.13284	3.5
140.80167	1.6
141.09114	1.9
147.11673	61.5
157.10040	2.3
165.12740	36.5
175.11243	2.2
183.13843	5.0
192.60725	1.6
193.12230	9.3
211.13286	10.8
229.14381	5.2
239.14244	1.7
239.23599	8.9
264.65790	1.6
267.15903	38.0
270.82217	1.4
313.27390	4.6
323.25693	1.4
448.54837	1.6
523.39935	83.8
524.40338	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
56.05025	0.6
57.07064	0.3
58.06339	0.3
58.06621	0.4
60.08158	6.1
63.77991	0.2
65.64819	0.1
67.05490	0.8
69.07066	0.9
69.49860	0.7
69.50286	0.6
71.07368	3.0
71.08643	0.2
75.64818	0.2
79.05482	0.5
81.03411	0.7
81.07061	0.9
82.07416	0.2
83.04994	0.2
83.08611	0.6
85.02917	0.4
86.09698	30.2
87.09986	0.2
91.05476	0.3
93.07024	0.6
95.04935	0.2
95.08607	0.7
97.10175	0.4
98.98451	3.1
104.10745	2.7
105.07033	0.5
107.08611	0.3
109.10165	0.2
119.08588	0.2
121.10117	0.3
124.53515	0.2
124.99994	22.6
135.11621	0.3
143.01021	0.4
146.53773	0.2
184.07329	100.0
185.07649	0.8
193.12216	0.6
195.21434	0.2
209.11710	0.4
209.72754	0.2
211.13298	0.4
212.13643	0.3
213.17419	0.1
266.08841	0.2
312.82443	0.1
339.29190	0.2
504.34311	1.1
522.36371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05511	2.7
55.71815	0.4
56.05027	1.3
57.03450	0.4
57.07068	1.1
57.18620	0.4
58.06607	1.4
60.08160	17.9
64.53690	0.4
67.05499	1.7
69.07053	2.1
69.41635	3.6
69.42042	0.7
71.07375	7.1
71.08628	0.9
76.72225	0.3
79.05505	1.3
81.07056	2.8
83.08604	1.8
86.09700	51.9
91.05460	0.6
93.07034	2.1
95.04954	0.6
95.08602	2.5
97.10165	0.9
98.98465	4.0
104.10736	100.0
105.11058	0.6
107.08561	0.5
109.10184	0.5
116.20879	0.4
119.08580	0.6
121.10099	0.7
123.11618	0.5
124.99995	28.1
135.11691	0.6
144.78337	0.4
163.01538	0.8
169.08662	0.5
184.07332	98.8
185.07657	0.7
208.82645	0.4
209.11803	0.6
214.84114	0.5
258.11029	1.2
330.21350	1.0
339.28992	1.4
445.26880	0.8
504.34476	7.9
522.35486	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	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.2
56.74730	1.0
57.03426	1.1
57.07071	1.0
59.04979	1.1
59.12086	0.8
60.66779	0.9
61.13526	0.9
64.00518	1.0
67.05507	4.9
69.03407	2.7
69.07053	1.9
70.06093	5.3
70.06516	1.6
71.05003	1.1
79.05471	2.7
81.07031	3.9
83.04990	1.4
83.08585	1.3
85.02898	2.7
85.06540	7.4
87.04445	1.7
88.62703	0.9
91.05468	1.4
93.07049	5.3
95.04942	1.0
95.08615	4.9
97.02885	2.6
98.21407	1.7
99.08084	90.2
105.07015	2.5
107.08588	6.1
109.06496	2.4
109.10155	14.3
115.03934	4.6
119.08563	4.7
121.10125	2.4
123.08089	1.5
123.11758	1.4
131.04921	1.4
133.04938	3.4
133.10118	21.7
135.11688	10.5
137.05952	3.3
137.09592	5.2
139.03877	1.3
147.08028	1.3
149.01573	1.0
151.11163	1.7
156.47586	1.0
175.14816	6.8
193.15869	100.0
194.16159	1.7
272.75061	0.9
301.29578	1.1
307.12961	1.2
325.14404	1.6
368.89462	1.0
374.01724	1.2
537.97784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82477	0.6
53.03928	1.3
53.89380	0.6
54.12538	0.7
55.01857	2.0
57.03406	2.0
61.02914	3.9
61.37143	0.7
61.95045	0.6
65.03923	1.1
67.05491	1.2
69.03417	5.4
70.82936	1.3
70.83259	0.8
71.04977	1.4
73.02885	1.0
77.66156	0.7
79.05481	2.1
81.03409	3.9
81.07024	1.0
85.02891	24.4
91.03932	1.3
91.05469	6.7
93.07047	0.7
94.04170	0.8
95.04959	5.8
97.02882	7.3
99.04450	1.3
103.05471	7.0
105.07007	1.7
107.04939	25.4
107.75292	0.8
109.02837	1.0
109.06507	1.9
115.05456	1.7
116.10033	0.8
117.06989	2.9
119.04917	2.1
119.08548	1.7
121.06488	22.3
122.07320	3.6
123.04416	17.4
127.03009	0.7
127.03871	4.0
129.06999	2.5
131.04912	32.6
131.05908	1.6
133.06497	2.4
134.07272	1.7
135.04395	6.6
135.08047	1.6
137.05960	15.9
139.03883	1.4
143.08566	1.1
144.05690	1.5
145.04962	3.6
145.06465	8.4
146.07253	6.1
147.04413	2.1
147.08031	28.4
148.08769	0.9
149.05975	2.0
149.09514	1.2
151.03889	2.6
153.05493	1.0
153.06949	1.3
155.08620	1.1
157.06474	11.8
158.07234	1.8
159.04393	1.5
159.08023	6.7
160.05206	1.5
160.08875	4.5
161.05991	1.2
161.09602	25.9
163.06212	1.5
163.07521	19.6
163.11174	1.3
165.06995	1.4
169.06522	1.2
171.08060	2.3
172.08670	0.9
173.05978	12.5
173.09628	4.3
174.10303	0.8
175.07570	2.4
175.11157	11.7
176.11938	2.4
177.09117	4.6
181.06512	1.8
183.08049	4.2
184.08809	1.6
185.09633	2.4
187.07533	1.0
189.09105	2.2
191.10670	12.0
193.12221	8.9
199.07510	1.2
201.09084	4.6
203.10619	3.9
205.08646	1.6
207.10156	3.4
211.07565	1.0
215.10565	0.8
219.08090	1.7
223.07489	1.6
227.02306	0.7
227.04465	0.8
229.08403	5.8
232.08858	1.4
233.09680	1.2
241.08588	8.0
246.06709	0.9
246.10333	1.0
247.07553	2.8
247.11203	3.9
249.09102	1.7
251.10606	0.8
255.10135	11.0
257.09583	3.0
261.09198	1.5
261.12680	1.5
263.07208	0.9
264.07803	1.1
265.08438	1.3
265.12143	1.1
266.09329	1.0
267.10089	1.0
273.09232	0.9
275.10629	9.7
276.11356	1.4
277.08328	0.8
278.09448	0.7
279.10294	2.3
279.13516	0.7
283.09604	0.8
289.12238	5.4
292.10825	1.6
293.11685	2.6
297.14816	15.0
307.13257	37.2
308.13516	1.3
325.14307	100.0
326.14664	3.8
343.15363	60.0
344.15814	1.7
360.18222	0.8
361.16354	2.3
474.15573	0.8
522.23279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01859	2.2
55.05501	13.2
57.03432	1.4
57.07067	27.1
62.88995	0.8
67.05494	23.3
69.03408	1.2
69.07056	8.2
69.53089	8.4
71.04973	2.1
71.08619	18.2
79.05482	21.7
81.03407	2.6
81.07047	27.6
83.04971	4.0
83.08606	12.1
85.06521	0.9
85.10178	8.9
91.05463	10.0
93.07033	31.7
95.04972	5.3
95.08595	46.4
97.02874	3.3
97.06509	3.6
97.10150	3.9
98.21410	1.9
99.04450	2.3
99.08035	0.9
99.11746	1.0
105.07012	6.8
107.04931	6.2
107.08579	21.0
109.06506	2.0
109.10136	10.0
111.04420	2.0
111.11683	1.1
117.07018	7.6
119.08567	7.8
121.06490	4.4
121.10113	9.6
123.11681	3.7
125.05949	2.1
125.13322	0.8
130.07777	1.5
131.08548	1.3
133.10124	2.6
135.08087	1.3
135.11678	38.2
136.12141	0.8
137.13228	2.3
137.71045	0.7
139.07538	1.4
143.08554	1.4
145.10120	24.4
153.12706	1.5
155.08429	0.8
159.72881	0.8
163.11165	49.8
173.03200	0.8
173.09604	1.2
181.12225	11.9
209.11707	4.6
211.05940	1.0
227.12753	100.0
239.23566	4.3
254.86386	0.8
313.27621	0.9
503.30142	0.9
521.38306	59.6
522.38641	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
54.72078	1.3
55.01871	7.2
55.05504	19.6
57.03424	3.8
57.07070	37.9
59.04995	2.5
61.36365	1.1
65.03931	1.4
67.05497	28.5
69.03434	1.4
69.07068	13.9
70.78322	1.2
70.78665	3.9
71.04987	4.1
71.08250	2.1
71.08624	32.1
79.05485	23.5
81.03410	11.5
81.07049	39.9
83.01332	5.1
83.04967	7.9
83.08608	19.9
85.02910	3.9
85.06549	2.6
85.10173	13.8
91.05463	17.7
93.07035	23.1
94.46907	1.2
95.04955	8.9
95.08598	41.1
95.09207	2.1
97.02873	2.6
97.06528	4.6
97.10167	7.5
99.04456	2.2
105.07018	10.0
107.04968	6.9
107.08575	15.0
109.06467	6.3
109.10146	14.8
110.83569	1.2
111.04395	3.0
111.08099	1.8
111.11731	2.9
117.07027	8.1
119.08575	8.9
121.06496	3.7
121.10133	9.5
123.08028	5.8
123.11684	5.2
125.09624	1.3
125.13260	1.5
129.06943	1.7
130.07658	1.2
131.04932	2.6
131.08589	4.4
133.10114	3.8
135.08040	2.2
135.11678	15.3
137.09518	1.7
137.13235	4.1
145.10100	16.3
147.11685	2.0
151.14801	1.9
153.12761	2.4
155.08531	1.7
163.11174	31.1
163.12474	2.0
165.82141	1.1
173.09641	3.6
181.12228	5.2
191.10716	4.6
209.11693	10.7
211.50465	1.1
219.17413	1.3
221.22606	1.7
221.46292	1.2
227.12758	18.3
239.23680	9.5
313.27322	3.2
401.04153	1.2
430.94495	1.4
503.28455	1.2
515.76880	1.4
521.38324	100.0
522.38354	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01865	3.3
55.05243	2.0
55.05503	33.6
56.07967	1.4
57.03434	6.8
57.07072	11.2
57.85933	1.4
65.03915	1.7
67.05145	2.7
67.05496	51.3
69.03431	3.4
69.06699	1.9
69.07060	32.9
70.26579	7.3
71.04971	4.5
71.08620	4.8
79.05488	31.4
80.23653	1.5
80.89315	1.4
81.03407	40.0
81.03887	2.1
81.07047	57.2
83.04975	8.2
83.08608	36.3
85.02901	21.3
85.06548	2.8
85.10155	2.4
86.09692	1.7
91.05465	24.9
93.07033	30.3
95.04959	19.7
95.08594	33.1
97.02877	2.9
97.06512	6.1
97.10146	13.5
98.21389	1.5
105.07019	17.8
107.04942	6.7
107.08578	17.5
109.06504	4.6
109.10143	13.8
111.04441	4.7
111.08094	9.8
111.11707	3.4
113.05999	3.0
113.09622	1.4
117.06982	3.1
119.08581	16.1
121.06472	2.3
121.10123	23.1
123.08076	1.6
123.11718	6.4
125.09633	2.8
129.06995	7.0
131.08574	8.8
133.06474	2.0
133.10103	8.6
135.08038	2.0
135.11682	13.8
137.09613	1.7
137.13274	4.8
139.07501	2.5
142.07762	1.7
145.10139	5.1
146.10399	1.4
147.08034	2.0
147.11690	10.9
148.12064	1.5
149.09622	5.9
149.13254	5.1
153.12691	1.9
157.10100	8.5
161.13278	3.4
163.07562	2.7
163.11147	3.4
165.09096	1.4
165.12724	2.5
169.08643	2.0
175.11140	10.6
181.08607	7.7
184.07388	3.8
191.10667	3.2
193.12213	42.9
209.11659	8.8
211.13263	44.2
219.21140	2.8
227.12782	4.4
237.22139	6.5
265.14035	1.5
267.15936	4.5
285.16843	1.8
311.25824	4.0
313.27344	1.6
329.21066	12.6
429.33578	2.6
503.30884	1.7
503.37302	6.5
521.38373	100.0
522.38800	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	521.281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95052	26.6
65.89051	25.1
70.88820	87.5
74.66529	29.2
84.04469	31.5
85.02861	31.1
86.09694	100.0
91.05798	59.1
132.10153	65.1
145.44318	24.0
147.04425	28.5
167.05367	35.7
198.11345	41.8
261.14474	69.2
300.06088	40.6
301.05823	35.7
537.78516	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93438	0.3
55.01858	0.7
55.05508	6.9
56.41018	0.3
56.77864	0.4
57.03430	2.8
57.07059	0.9
67.05153	0.5
67.05498	9.3
69.07064	7.4
71.04983	0.8
79.05490	3.4
79.64685	0.4
81.07049	10.0
83.04984	0.4
83.08616	4.4
83.65553	0.3
85.06532	0.7
89.03914	5.6
91.05461	2.9
93.07032	4.3
95.04961	0.7
95.08600	10.0
97.06526	2.0
97.10151	3.3
98.21485	0.7
99.08052	0.5
103.05457	0.5
104.19440	0.3
105.07024	2.3
107.08607	2.0
109.10150	5.0
111.08050	0.7
111.11699	1.2
117.03371	15.2
119.08595	2.0
121.10120	2.9
123.08076	0.5
123.11697	1.6
125.09619	0.5
125.13245	0.4
133.10162	1.8
134.03613	1.3
135.04391	1.8
135.11707	3.2
137.09598	0.5
137.13232	1.0
139.11168	0.6
145.02838	43.1
145.10172	0.5
147.11652	1.5
149.05968	6.6
149.13289	0.9
151.14824	0.4
153.12787	0.4
161.13251	0.9
162.03156	0.5
163.03928	2.3
177.05452	100.0
178.05830	1.3
179.14372	0.5
186.05515	1.2
195.06520	15.9
217.19513	2.1
229.77232	0.3
230.80960	0.3
235.20572	2.5
251.09091	1.3
253.21509	0.4
275.20020	0.6
309.24301	3.0
327.25296	16.4
396.93713	0.4
503.30051	0.4
521.31317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38943	0.2
53.03942	0.3
55.05507	1.4
56.05033	1.6
57.03428	0.3
58.06569	1.7
60.08159	17.7
67.05500	3.6
69.07069	1.6
70.06570	0.4
70.20303	1.4
71.07366	7.5
75.16308	0.2
79.05482	1.1
81.07051	3.4
83.08620	0.5
84.86652	0.2
86.09698	52.9
91.05453	0.6
93.07049	1.2
95.04958	0.5
95.08594	2.0
98.98456	4.6
101.53186	0.2
104.10735	100.0
105.07019	0.7
105.11061	0.3
107.08575	0.9
109.10143	0.8
119.08569	0.3
121.10171	0.4
124.99992	29.0
131.04910	0.4
133.10115	0.4
135.11707	0.3
140.51726	0.2
143.01051	0.4
145.10107	0.3
147.32240	0.3
163.01534	0.5
184.07327	98.2
195.06519	0.7
196.06883	0.4
258.11035	1.0
337.27377	0.9
502.32959	8.0
520.33972	27.1
521.34613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
55.47057	0.1
56.05033	0.6
57.03442	0.2
58.06366	0.2
58.06628	0.4
59.07396	0.2
60.08160	6.4
61.87186	0.1
67.05503	0.7
69.07067	0.3
70.06564	0.1
71.07368	2.4
71.61770	0.2
79.05506	0.3
81.07049	0.6
86.09701	29.0
87.10047	0.2
91.05475	0.2
95.08604	0.4
98.98457	3.2
98.99090	0.2
104.10735	2.8
105.07039	0.2
107.08589	0.1
109.10117	0.1
119.08704	0.1
124.99993	20.6
127.30081	0.1
143.01039	0.3
166.02673	0.1
184.07332	100.0
185.07675	0.4
258.10956	0.2
337.27179	0.2
417.63809	0.1
502.33121	0.9
520.34137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82553	1.2
55.01855	2.5
55.05499	2.5
56.05040	5.7
56.96549	4.0
58.99583	14.3
67.05501	12.1
68.05011	1.2
69.03431	1.9
69.07053	2.7
70.06577	2.0
71.04993	1.1
71.72741	2.0
73.94393	1.1
76.02222	32.2
76.04004	1.4
79.05486	7.4
80.05016	1.2
81.07054	19.3
83.04970	1.2
83.06090	3.3
83.08617	3.0
84.04500	10.3
84.96021	3.4
85.01098	1.8
85.02906	1.7
85.06530	1.3
86.00660	6.7
86.99040	5.9
87.02689	2.6
88.02223	3.3
91.05421	6.6
93.07033	11.3
94.06567	2.6
95.04993	1.7
95.08571	6.9
97.01113	5.2
97.06530	2.8
98.28101	1.1
98.97043	1.1
98.97582	5.0
99.05551	1.6
100.02140	1.1
102.05548	3.6
105.07033	4.5
107.04980	1.3
107.08591	6.7
109.10132	2.3
110.49119	1.0
110.97583	2.0
111.02668	5.0
111.08054	2.1
112.03961	0.9
114.03728	3.0
114.05500	1.5
115.05478	1.4
116.01672	27.4
116.98598	3.6
117.06998	4.1
119.08577	2.6
120.08074	2.2
121.06471	1.0
121.10100	2.9
123.11730	2.0
128.98619	2.6
129.06648	3.8
130.05002	3.6
131.08563	4.5
133.02789	1.5
133.10110	4.0
134.03255	1.0
135.11678	4.3
137.04237	1.9
137.05939	8.4
138.06313	1.6
139.03885	3.0
142.03236	4.3
143.02737	2.0
144.01204	7.5
146.99655	2.6
147.11647	1.9
149.09624	1.5
149.13239	7.8
151.07585	1.5
151.11180	2.9
159.11720	4.1
161.01106	1.3
162.02216	20.0
165.07243	1.5
167.05524	1.7
167.06995	1.6
173.13359	1.5
177.12701	4.9
179.04845	21.9
187.05399	1.4
189.03328	1.9
194.15408	1.9
195.13765	8.8
212.16437	3.5
213.14867	2.7
219.01738	6.1
220.02165	1.8
224.16541	1.9
226.12592	3.1
233.06062	1.8
235.11536	1.6
237.02773	9.1
238.03093	3.4
241.12534	1.5
244.13490	1.1
245.05836	1.4
252.14087	8.7
253.12628	2.9
256.79724	1.1
264.07343	1.4
270.14893	18.9
270.17593	2.1
271.06442	3.2
272.06769	4.4
286.99988	1.2
288.16306	18.2
289.07452	7.6
290.07764	9.8
291.03183	2.0
298.04877	1.4
298.14600	1.2
299.06201	1.3
300.06198	1.4
308.09183	3.6
312.12643	2.5
315.05374	3.3
316.05667	5.2
327.17313	1.3
333.06534	3.0
334.06653	2.6
338.07285	1.4
340.05627	1.5
355.16864	3.8
356.15228	2.5
358.06796	3.4
365.14218	1.2
373.17902	100.0
374.18295	1.9
391.18909	4.2
416.11304	1.4
427.19183	2.3
442.08923	7.5
445.20032	5.7
460.10022	10.0
483.11484	2.1
502.22189	2.9
520.23419	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	519.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01859	2.1
55.05289	1.7
55.05510	21.0
57.06808	3.1
57.07074	45.2
65.03912	3.0
67.05147	3.2
67.05501	55.6
69.03405	2.2
69.07066	18.6
71.08258	2.6
71.08629	33.3
71.09019	2.0
71.72421	2.0
73.42333	1.6
79.05033	3.4
79.05491	62.1
81.03416	5.0
81.07053	57.7
81.07434	1.1
83.04974	8.8
83.08618	17.8
85.10173	16.9
86.51428	2.0
91.05469	47.8
93.07040	48.2
95.04965	20.4
95.08022	3.2
95.08604	53.9
97.06540	3.3
97.10168	10.0
103.05487	4.7
105.04491	1.9
105.07024	38.4
107.04959	6.0
107.08590	16.7
109.06519	6.3
109.10155	16.7
111.08076	2.3
115.30267	1.7
117.07008	9.6
119.08574	21.3
121.06535	2.7
121.10146	4.9
123.08057	3.7
123.11696	7.5
129.07013	14.9
131.04916	6.1
131.08542	2.9
133.10117	9.6
135.08072	2.3
137.13269	3.0
143.08557	6.9
145.10120	11.9
147.08005	2.2
147.11684	35.2
161.09668	4.0
161.13266	12.4
171.11681	27.7
189.12753	8.5
195.06592	4.9
203.17905	2.3
207.13800	34.1
213.07536	2.3
225.14957	4.5
239.23755	6.1
255.52968	1.7
299.12708	3.6
313.27560	2.3
328.06985	1.9
449.02164	1.8
501.29883	2.4
519.40491	100.0
544.61206	1.9
548.29358	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3107
Annotation	Hypercalin B
Peak:m/z	Relative Intensity
51.86435	1.9
53.03927	4.0
55.01870	3.5
55.05505	11.4
57.07064	3.5
65.03924	2.2
67.05153	2.3
67.05500	40.0
68.86005	2.1
69.03411	5.2
69.07051	15.5
70.01318	1.8
71.04972	4.0
71.72412	2.4
71.72807	3.7
79.05489	24.7
81.03369	2.6
81.07051	59.7
83.01314	18.6
83.04953	7.4
83.08578	6.1
85.06519	2.3
86.09689	3.1
91.05453	50.4
92.85532	2.1
93.07039	36.0
95.04942	6.8
95.08596	40.6
97.06519	3.3
97.10149	4.6
99.08041	3.3
103.05431	8.1
104.10720	4.6
105.03365	4.0
105.07014	38.1
107.04901	3.8
107.07911	3.6
107.08585	43.4
109.06493	9.2
109.10139	30.2
111.04398	2.2
111.08036	4.4
112.79630	2.2
115.05431	3.9
117.07024	15.2
119.08572	33.2
121.06519	3.2
121.10142	16.8
123.08027	3.6
123.11697	10.4
125.00031	2.8
125.05966	8.9
125.09634	2.3
127.07537	16.8
128.06209	2.6
129.06960	7.0
131.04906	19.5
131.08553	18.6
133.10118	16.4
135.08040	6.3
135.11639	6.1
139.07500	8.2
141.06949	4.6
143.08514	8.6
145.10112	34.7
147.11688	20.3
149.05907	4.4
149.09593	3.5
149.13327	9.8
151.07478	5.9
152.04642	5.0
153.05457	4.1
155.08524	5.4
157.10100	8.2
159.11662	21.2
161.13335	9.9
163.07500	3.7
163.14792	6.1
165.09067	2.3
167.05499	4.7
167.06923	5.4
167.08472	2.4
169.08623	21.1
169.09944	3.4
171.08118	3.0
171.11662	4.5
173.09439	2.9
173.11842	3.4
173.13249	7.2
175.14798	5.0
177.05461	6.2
181.08655	15.7
181.10066	3.2
183.11642	3.0
184.07317	8.3
189.16313	2.9
193.10150	2.4
193.12134	2.7
195.06514	100.0
196.06743	2.7
197.13222	3.1
199.11217	2.0
199.14752	4.4
201.16357	36.0
202.96713	2.1
203.17993	12.8
207.10016	3.3
210.94624	2.1
213.07573	42.7
215.10727	3.0
219.17374	5.0
235.14833	2.4
239.14487	1.9
257.11612	3.1
273.18466	3.9
285.10944	2.5
291.19443	16.3
299.06018	7.3
299.12738	49.9
301.14304	13.6
305.22409	2.8
315.21060	3.2
321.22012	2.7
323.16479	2.8
333.21860	2.4
349.17657	2.2
397.23944	3.1
459.27386	2.4
464.29633	2.3
483.28979	30.5
501.29892	63.2
519.30994	74.5
520.31323	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	519.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	2.1
55.05490	7.1
56.96514	1.7
57.07058	3.8
65.03939	2.1
67.05494	20.7
67.97876	1.6
69.07056	13.6
71.04990	1.8
71.08604	2.6
76.53567	1.8
79.05502	16.4
81.07050	49.4
83.01329	17.3
83.04961	5.6
83.08592	4.5
91.05460	57.3
93.07034	19.3
95.08598	22.8
97.06508	2.0
97.10098	2.3
103.05463	4.3
105.03377	3.9
105.07017	80.7
107.08583	19.0
109.06480	7.3
109.10138	20.4
111.04426	2.2
115.05392	3.3
117.07007	17.1
119.08559	23.7
121.06464	2.3
121.10159	11.7
123.08047	5.7
123.11677	6.5
125.05963	8.3
127.07543	19.6
128.06253	2.3
129.06960	7.8
129.61775	2.2
130.07762	1.9
131.04886	6.0
131.08542	20.3
133.10109	16.7
135.11658	7.3
139.07507	5.1
141.07013	4.6
143.08542	14.0
145.10104	46.8
147.07985	1.9
147.11679	19.7
149.05952	7.5
149.13206	6.9
151.07529	8.3
152.04628	5.0
153.05438	5.7
155.08534	8.2
157.10068	10.2
159.11702	19.1
161.13228	8.3
163.07503	5.9
163.11163	3.3
163.14801	3.9
165.12769	2.4
167.05666	3.1
167.06995	11.2
167.08452	3.4
169.08614	44.1
169.10086	5.7
171.11621	3.4
173.13210	5.8
175.14807	4.4
177.05466	3.9
179.08559	4.5
181.08560	12.3
181.10147	6.9
183.11664	4.7
185.13283	3.1
187.14828	2.5
189.16412	6.0
191.18060	1.9
193.08551	2.2
193.10132	4.6
195.06505	100.0
195.11699	3.6
199.14751	2.4
201.16356	22.3
203.17931	10.8
207.11717	3.7
211.09636	14.2
213.07567	32.2
215.17915	4.0
219.17421	34.0
221.13319	2.4
221.18987	3.7
223.09656	5.9
235.14702	3.3
249.16312	2.0
257.11551	2.8
281.22452	2.1
283.13333	5.4
291.21106	16.1
299.06070	3.5
299.12735	48.3
301.14325	39.1
303.20737	2.4
307.24078	3.2
309.22015	6.5
311.12787	2.2
321.21909	2.6
333.34161	2.2
339.29333	1.9
361.17892	3.2
367.18890	2.3
379.18845	5.4
410.24377	3.0
423.01529	1.8
441.23849	1.9
471.28860	9.1
483.29068	17.3
489.29907	8.3
501.29916	33.4
502.30212	2.2
519.30890	36.9
519.38055	2.7
520.30554	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	519.3104
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
53.03929	2.3
53.85999	1.3
55.01866	2.8
55.05507	8.3
57.07075	1.4
65.49607	1.3
67.05495	10.5
69.03416	4.6
69.07061	8.0
74.39547	1.4
79.05482	8.3
81.07052	17.5
83.01329	5.2
83.04976	12.9
83.08606	2.4
87.04457	1.6
91.05470	31.1
93.07033	14.1
95.04958	6.2
95.06245	1.3
95.08600	14.6
97.06528	2.3
98.21461	3.2
103.05462	16.3
105.03423	1.9
105.07036	20.2
107.04947	3.0
107.08597	20.4
107.75157	1.3
109.05824	1.3
109.06526	3.7
109.10154	10.0
111.08106	1.6
115.05442	1.6
117.07014	10.5
119.04930	2.1
119.08567	13.5
121.06507	5.9
121.10131	11.1
123.00791	5.1
123.11705	5.7
125.05961	8.0
125.09637	1.6
127.07547	3.5
128.06168	2.3
129.07002	8.9
131.04919	45.4
131.08577	11.6
133.10104	7.8
135.04385	1.9
135.08041	23.6
135.11685	5.9
137.09651	2.3
137.13242	2.2
139.07520	1.4
141.06958	3.4
142.07704	1.8
143.08554	5.9
144.87117	1.4
145.10135	7.9
147.08029	2.1
147.11703	7.2
149.05989	2.7
149.09622	2.5
149.13228	10.0
151.03911	17.0
151.07507	2.7
153.05565	2.0
155.08533	4.6
157.10147	7.3
159.08073	1.8
159.11777	3.2
161.09622	2.6
161.13278	5.1
163.11143	2.1
165.05583	1.7
165.09108	1.7
167.07030	4.8
167.08408	1.5
169.08658	3.4
169.10095	4.3
171.08064	1.8
171.11694	3.5
173.09604	6.3
173.13240	5.1
175.03857	3.9
175.11127	1.6
175.14815	8.3
179.07033	2.9
181.08612	3.9
181.10138	3.6
183.11742	3.8
185.13263	3.8
189.12752	1.7
189.16249	2.9
193.04921	13.8
193.08577	2.3
193.10188	1.5
195.06505	19.7
195.11745	2.6
201.16301	1.7
203.10577	2.0
203.18060	1.6
205.08592	1.5
207.10072	2.6
211.06006	100.0
212.06424	2.1
213.07660	8.7
217.12262	2.4
217.15935	4.4
219.17310	2.3
223.14818	3.0
231.17383	1.7
241.15860	12.0
245.18996	2.7
277.14178	3.5
291.20966	1.6
297.11209	89.6
298.11551	2.1
299.12857	10.3
301.14749	1.6
317.22522	1.9
341.21164	4.1
359.22302	1.7
365.17438	1.6
387.25443	2.9
397.23889	3.5
415.24838	2.8
480.10818	1.6
483.28928	2.7
493.77063	1.6
501.30038	30.7
519.30884	12.7
519.39349	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93919	2.0
53.03936	2.3
55.05508	6.5
57.07047	2.5
61.90153	1.7
65.03923	2.6
65.08904	2.2
67.05494	10.8
69.07056	6.4
70.04430	11.6
71.04986	6.3
79.05483	9.6
81.07064	19.0
83.01352	3.6
83.04974	14.3
83.08611	5.0
91.05469	46.8
93.07053	14.9
95.04923	4.8
95.08604	17.7
98.21431	2.2
99.04461	2.9
103.05457	34.1
105.03397	2.4
105.07026	29.7
107.08586	29.9
109.06522	4.5
109.10149	12.6
113.18386	1.9
115.05482	3.9
117.07012	16.4
119.08576	14.2
121.06464	10.7
121.10153	14.6
123.08105	3.0
123.11758	4.9
125.06029	12.1
128.06230	3.5
129.06999	14.9
131.04921	100.0
131.08559	12.9
133.06454	5.1
133.10136	11.5
134.00575	2.1
135.04366	2.6
135.08041	34.9
135.11679	9.4
137.05937	2.2
139.07506	5.4
141.06953	4.5
142.07729	3.5
143.08551	10.9
145.10115	12.9
147.08055	7.5
147.11646	7.7
149.09639	2.1
149.13234	6.3
151.07576	2.1
154.36513	2.0
155.08542	7.4
157.10110	12.6
158.07382	2.2
159.07990	2.9
159.11681	5.1
161.09656	6.2
161.13231	4.4
163.07559	3.0
163.14832	3.7
165.09169	2.7
167.07004	5.2
167.08363	2.3
169.08577	7.1
169.10124	5.7
171.08051	4.8
171.11671	4.5
173.09593	16.7
173.13246	6.4
175.11133	3.5
175.14824	8.1
177.08992	3.3
179.07045	4.1
179.08539	3.0
181.08549	9.9
181.10019	3.7
183.11740	6.6
185.09705	2.7
185.13289	4.1
187.11198	2.8
187.14702	3.1
189.09111	3.8
189.12715	3.1
189.16324	3.0
193.05026	2.6
193.08614	2.7
195.06564	10.7
195.10092	3.2
195.11734	3.1
197.13301	4.9
199.14888	2.2
201.16386	3.3
203.14305	2.4
203.17941	3.0
205.08629	3.0
207.11768	3.0
209.13371	3.9
211.06009	23.9
211.14810	4.0
213.07544	2.8
215.10799	2.1
215.14519	2.6
217.12207	2.3
223.09584	5.0
241.15862	4.9
245.19095	2.2
255.17496	3.4
259.13391	3.1
260.84076	2.4
266.16870	2.5
273.18539	5.0
297.11188	25.5
299.06183	2.4
299.12686	4.1
317.22458	2.1
341.21121	4.8
359.22891	6.6
377.24854	2.3
387.25192	4.8
397.23917	6.5
483.28833	4.9
501.29892	16.1
519.31146	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	519.3106
Annotation	Sampsonione G
Peak:m/z	Relative Intensity
53.03922	2.2
55.01861	1.4
55.05498	5.0
57.07067	2.0
65.03918	1.7
67.05491	12.0
69.07064	8.7
71.04984	1.7
71.08621	1.7
77.60325	1.2
79.05490	16.1
81.07051	47.2
82.07391	1.3
83.01337	17.2
83.04961	3.7
83.08605	3.9
85.06562	1.6
85.82565	1.2
91.05457	30.2
93.07043	16.1
95.04971	3.4
95.08606	21.3
97.06549	2.3
97.10184	2.4
99.08078	2.0
103.05439	3.9
105.03391	3.4
105.06343	2.4
105.07027	37.3
107.08565	13.5
109.06528	10.6
109.10136	14.2
111.04446	2.5
115.05423	2.7
117.07023	9.2
119.08569	14.9
121.06523	1.9
121.10153	9.5
123.08063	2.0
123.11694	5.0
125.06008	8.3
127.07546	21.0
127.64217	1.3
128.06206	3.0
129.07004	8.2
131.04922	3.8
131.07660	2.0
131.08557	14.9
133.06369	1.2
133.10120	10.0
133.38841	1.4
135.08020	2.7
135.11694	7.3
139.07509	4.4
141.06976	3.5
143.08569	8.4
145.10104	12.3
147.11684	10.8
149.05959	6.9
149.13235	4.9
150.49519	1.6
151.07516	7.6
151.11166	1.8
152.04677	4.2
153.05450	5.6
153.06857	1.3
155.08542	8.9
157.10107	9.8
159.11696	3.8
159.22774	1.4
161.13286	4.1
163.07571	4.4
163.14819	3.1
165.06911	1.6
165.12717	1.7
167.05685	2.3
167.07022	8.8
167.08534	3.3
168.09338	1.5
169.08592	21.3
169.10074	6.5
171.11627	4.1
173.13208	3.3
175.07520	1.5
175.14801	5.7
177.05525	6.0
179.08571	3.6
180.09325	2.1
181.08591	7.4
181.10121	5.7
183.11623	3.7
185.74489	1.3
187.14769	1.9
189.16357	1.3
191.07059	2.1
193.10150	3.8
193.15897	3.9
194.10638	1.4
195.06516	100.0
195.11612	2.4
197.13217	3.6
201.16432	2.4
203.17947	5.8
204.18359	1.4
205.10243	1.4
207.11800	3.1
209.08070	1.5
209.13220	2.7
211.09578	7.3
213.07561	39.1
219.11668	1.6
219.17444	2.1
221.13304	1.6
221.18959	1.7
223.09576	2.0
223.14755	1.4
233.13116	1.5
235.14839	3.0
269.11716	2.1
271.13129	1.6
279.21039	2.3
287.17627	1.3
291.21310	8.8
293.22495	1.6
297.11362	1.4
299.06070	1.8
299.12759	48.6
301.14395	3.1
307.24307	2.4
309.22113	5.4
315.20853	1.2
323.74738	1.3
327.15784	3.5
351.15967	3.6
351.23260	2.5
414.54001	1.5
471.28790	4.2
483.28796	8.9
489.29694	4.5
501.29907	22.4
519.30933	44.5
520.31317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3106
Annotation	Hypercalin B
Peak:m/z	Relative Intensity
53.03951	1.6
54.95065	1.4
55.05513	7.0
55.24202	1.5
57.07066	1.7
58.88911	1.4
65.03934	2.1
67.05215	1.5
67.05508	18.5
69.07068	10.4
71.70605	2.0
72.86343	1.3
75.43882	1.3
79.05486	16.9
81.07050	48.0
83.01340	19.3
83.04968	4.1
83.08620	3.6
91.05444	30.7
93.06516	2.6
93.07044	23.7
95.04988	3.4
95.08605	28.8
97.06531	5.1
97.10155	2.8
101.02541	1.5
103.05453	5.1
105.03406	2.6
105.06353	2.7
105.07021	30.9
107.04955	1.4
107.08590	28.5
108.08880	1.5
109.06505	8.5
109.10156	21.2
111.04440	3.6
111.08052	2.6
115.05410	3.1
117.07021	9.9
119.08575	29.5
121.10137	10.4
123.08088	3.0
123.11702	6.5
125.05990	9.7
127.07558	20.5
128.06203	3.6
129.06995	6.1
131.04933	12.3
131.08565	11.3
133.10120	15.9
134.10635	1.4
135.08041	5.8
135.11664	4.8
138.06754	1.8
139.07561	8.9
141.06970	3.3
143.08575	5.4
145.10126	25.6
147.11682	17.1
149.05963	5.3
149.13289	7.5
151.07559	5.3
152.04721	5.1
153.05482	5.8
153.61870	1.5
155.08629	3.0
157.10126	4.5
158.10898	1.8
159.11702	20.1
161.09714	2.1
161.13269	8.5
163.07549	10.2
163.14818	4.2
167.05699	3.0
167.07040	8.5
167.08438	1.8
169.08611	18.1
169.10080	3.2
171.11794	2.4
173.13310	6.0
175.14824	4.3
177.05447	5.1
179.08588	1.6
181.08617	32.8
181.10109	2.7
183.11641	2.8
185.13336	1.9
187.14861	2.3
189.16408	3.6
195.06529	100.0
197.13306	3.0
199.14833	2.3
201.14566	2.4
201.16385	42.6
203.17921	11.8
207.11687	1.8
209.13264	2.1
213.07571	45.9
215.10674	1.9
215.17828	2.3
219.17390	3.9
223.14909	1.9
226.15530	1.8
237.16428	2.0
241.15979	2.3
257.11710	5.9
293.22421	1.8
295.13367	1.8
299.06168	3.6
299.12772	45.0
301.14331	9.4
303.21146	2.5
311.12921	2.0
321.22031	2.5
333.22073	2.0
344.97852	2.2
351.15948	1.9
406.44745	1.6
483.29028	21.7
501.30008	42.4
519.31018	72.3
520.31201	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	519.3107
Annotation	Hypercalin B
Peak:m/z	Relative Intensity
51.81089	0.8
53.03924	1.5
55.05500	4.5
65.03934	1.8
67.05495	11.2
69.07066	4.5
69.63072	6.9
71.04977	1.1
73.74364	0.7
77.03951	0.8
79.05484	11.2
81.07047	41.8
83.01333	18.2
83.04970	4.6
83.08599	1.8
85.06528	1.0
91.05463	25.7
93.07046	13.1
95.04944	2.2
95.08596	19.8
95.61623	0.8
97.06538	4.1
97.10152	1.0
99.08105	1.4
101.47384	0.8
103.05442	2.2
105.03384	1.8
105.07020	23.0
107.04950	0.9
107.08583	21.5
109.06522	7.5
109.10146	16.0
111.04411	3.0
115.05468	1.6
117.07002	7.9
119.08563	19.9
121.06508	1.3
121.10134	9.3
123.08044	1.8
123.11674	4.2
125.05985	8.1
127.07542	18.2
128.06273	1.5
129.06979	3.4
130.07735	1.2
131.04919	3.5
131.08586	8.0
133.10129	9.0
135.08064	1.9
135.11685	2.8
136.86546	0.8
139.07544	3.0
141.06960	2.3
143.08517	4.5
144.09337	1.0
145.10117	18.4
147.11674	16.5
149.05969	5.8
149.13235	10.2
151.03905	0.9
151.07518	2.2
152.04663	5.2
153.05452	5.9
155.08553	2.2
157.10091	3.8
159.11691	9.7
161.13248	11.0
163.07556	1.5
163.14815	2.4
165.06813	0.9
165.09064	1.1
167.05692	1.3
167.07019	5.8
167.08409	1.5
169.08633	13.8
169.10063	1.9
171.11630	1.8
173.13243	2.7
175.14828	1.8
177.05426	5.3
177.16394	1.2
179.08600	1.1
181.08591	4.4
181.10022	1.4
183.08133	2.2
183.11676	1.9
185.13226	1.7
187.14877	1.2
189.16377	1.4
195.06511	100.0
196.06929	1.5
197.13177	1.2
199.14886	1.9
201.16370	18.0
202.16869	1.1
203.17944	11.5
207.08005	1.0
209.13225	1.5
213.07542	36.7
214.07848	0.9
214.09825	1.0
215.10721	2.0
215.17989	2.0
217.19516	1.1
219.17398	11.0
223.14780	1.5
239.10692	1.2
245.19002	0.8
257.11719	3.0
281.11783	0.8
283.13345	1.2
285.11044	1.5
291.19669	1.1
293.22522	1.7
299.06125	1.7
299.12766	30.0
301.14304	10.7
303.21097	1.5
307.24222	2.6
311.13068	0.9
315.20993	1.1
323.16626	1.6
325.67999	1.0
333.21967	1.2
339.15991	1.3
349.17816	1.3
351.15842	1.3
365.17609	1.6
383.18274	1.3
393.20792	1.0
413.26529	1.1
483.28976	17.0
484.29147	1.2
501.29977	30.2
502.30173	1.6
506.33334	0.7
519.31018	70.7
520.31317	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	519.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07532	0.9
53.03935	1.4
55.05497	7.1
57.03444	1.4
57.07061	1.5
65.03931	1.9
67.05496	20.7
69.03398	1.2
69.07064	7.7
69.40553	1.2
69.40954	10.1
71.04975	1.3
77.03918	0.9
79.05485	13.1
81.03397	1.0
81.07050	50.0
83.00854	1.5
83.01334	21.7
83.04977	7.2
83.08605	3.9
85.02862	1.2
85.06534	2.5
91.05453	28.7
93.07038	21.4
95.04968	3.1
95.08598	22.0
97.06515	3.4
97.10152	1.1
99.08052	1.5
100.70263	1.0
103.05472	2.5
105.03381	3.1
105.07019	32.4
106.10294	1.0
107.04942	2.1
107.08584	24.4
109.06516	9.0
109.10149	18.0
111.04466	2.6
111.08080	1.7
111.11772	1.0
115.05409	2.6
117.07017	8.7
119.08563	21.0
121.06505	2.6
121.10143	12.6
123.08051	2.7
123.11703	7.0
125.05994	8.5
125.09593	0.9
127.07543	22.6
127.08417	1.6
128.06265	1.0
129.06973	6.0
130.07761	1.2
131.04944	4.4
131.08559	9.9
133.10098	10.8
133.11008	1.0
135.08041	0.9
135.11708	5.1
136.97760	0.9
139.07521	4.3
141.06961	2.6
143.08534	6.1
144.09288	1.1
145.10112	20.8
147.11668	18.5
149.05965	5.6
149.13242	9.4
151.07545	5.1
152.04654	5.6
153.05463	6.8
153.06792	0.9
153.32050	0.9
155.08507	2.8
157.05034	1.2
157.10091	4.4
159.11691	12.8
160.57095	1.0
161.13255	12.2
163.07538	3.2
163.14854	4.0
165.07013	2.1
167.05663	1.9
167.07056	6.2
169.08614	16.1
169.10028	1.8
171.11671	2.5
173.11859	1.3
173.13278	4.2
175.11159	1.2
175.14819	2.5
177.05458	5.4
181.08601	7.3
181.10027	1.7
183.08078	1.1
183.11705	2.2
187.14751	1.1
195.06519	100.0
197.09610	1.7
197.13263	2.2
199.14816	2.8
201.16359	19.9
202.16930	1.1
203.17950	11.3
205.08485	1.4
209.13170	1.7
211.11284	1.5
213.07556	45.2
215.10638	1.6
215.17967	2.2
217.19518	1.1
219.17424	10.4
231.11560	1.2
257.11743	3.4
283.13287	1.7
285.11230	1.5
291.19534	2.4
299.06229	1.9
299.12747	30.9
301.14346	12.5
303.21103	1.7
305.22598	1.2
307.24280	2.5
311.12762	1.8
333.22089	1.5
337.14511	1.6
351.15729	1.1
365.17599	1.4
377.21094	1.1
383.18579	1.0
395.25644	1.3
460.49625	0.9
483.28937	18.7
501.29977	35.3
519.31000	77.5
520.31256	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	519.295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96214	0.3
55.01857	0.7
55.05507	2.9
57.03428	1.9
65.03923	0.7
67.05139	0.7
67.05494	11.1
69.07055	3.8
69.97880	1.8
71.04971	0.9
78.34053	0.4
79.05479	5.2
81.07043	10.9
83.08613	2.3
89.03908	5.4
91.05461	4.4
93.07035	6.3
94.04568	0.4
95.04942	1.2
95.08595	10.3
97.06510	1.8
97.10152	0.9
99.08104	0.5
103.05470	0.5
105.07034	1.8
107.08578	3.8
109.10139	5.0
111.08051	0.7
117.03369	14.4
117.06996	0.6
119.08540	1.6
121.10120	4.3
123.11673	1.8
129.05504	0.4
131.08533	0.8
133.10114	3.5
134.03615	1.4
135.04411	1.9
135.11700	3.1
137.09581	0.7
145.02832	40.4
145.10097	0.7
147.04303	0.4
147.11626	0.8
149.05946	5.5
149.13217	1.1
151.11163	1.2
162.03040	0.4
163.03856	1.6
170.64003	0.4
173.13226	0.7
177.05450	100.0
178.05812	1.6
186.05504	2.1
187.14879	0.5
195.06509	18.6
201.62056	0.4
215.17905	1.8
233.18996	1.8
251.09163	1.2
251.19955	2.0
325.23697	13.7
338.54996	0.4
390.58740	0.5
519.29199	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01873	0.9
55.05508	5.9
57.03426	2.0
65.03925	0.8
66.79234	0.5
67.05151	1.0
67.05502	20.4
69.07064	5.8
71.04982	0.8
71.72218	0.7
79.05492	9.7
81.03397	0.7
81.07053	20.5
83.04990	0.7
83.08620	4.9
85.06526	0.7
89.03910	7.0
90.41254	0.4
91.05449	7.2
92.73061	0.5
93.07038	9.8
94.56412	0.5
95.04974	2.4
95.08602	18.9
97.06519	2.2
97.10144	1.8
97.34214	0.4
99.08070	0.5
103.05443	1.0
105.07030	4.2
106.04042	0.5
107.08588	7.1
109.06472	0.6
109.10152	9.8
111.08069	1.9
117.03372	19.1
117.07048	1.0
119.04939	0.8
119.08563	3.9
121.06469	0.6
121.10139	7.4
123.11692	3.8
125.09623	0.8
129.05466	0.6
131.04903	0.9
131.08537	2.3
133.10106	6.5
134.03607	2.3
135.04396	2.6
135.07985	0.9
135.11694	5.3
137.05980	0.6
137.09593	1.5
137.13249	1.0
139.11102	0.5
144.75203	0.5
145.02840	49.4
145.10123	2.4
146.03110	0.7
147.04408	2.2
147.11685	2.2
149.05945	6.9
149.13242	1.7
151.11172	1.5
158.05984	0.6
159.11697	1.2
161.13260	0.7
162.03011	0.6
163.03888	2.1
163.07520	1.0
165.18704	0.5
166.28181	0.5
167.05649	1.0
173.13255	0.9
177.05460	100.0
178.05724	1.3
181.08565	2.2
186.05534	2.3
187.14778	0.6
195.06522	12.2
203.17960	1.0
215.07072	1.1
215.17914	4.4
233.19034	3.3
235.20538	0.6
251.09171	0.7
251.20061	5.5
273.18512	0.6
289.21634	0.7
291.19574	0.7
299.06046	1.4
315.24588	0.5
325.23691	17.5
325.27579	1.1
394.62415	0.5
519.29034	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.1
55.05500	1.2
57.03433	0.7
58.61298	0.6
65.03928	1.5
67.05477	2.7
68.99787	1.0
69.03410	1.3
69.07060	1.5
71.04992	3.5
71.71031	1.0
72.69841	0.6
73.04748	1.0
76.02237	0.9
79.05481	2.2
81.03418	1.2
81.07059	3.5
83.04952	1.0
83.54814	0.6
85.02888	1.5
91.05776	2.3
93.06111	0.8
93.07054	3.8
95.04964	1.5
95.08590	1.8
105.07030	1.1
107.04925	1.0
107.08572	2.1
109.06532	1.2
109.10163	1.2
111.00796	1.8
111.04431	2.1
119.08522	0.7
121.02814	1.7
121.10175	0.9
123.04452	1.6
129.05490	1.6
131.08539	0.8
133.10100	0.9
135.04466	0.8
135.11690	5.8
137.05984	5.3
139.03893	100.0
140.04216	1.0
149.13321	0.6
151.03920	3.2
153.05431	1.6
153.12733	4.5
161.05957	1.8
163.03899	10.0
167.05528	2.2
167.06885	0.8
171.13693	0.9
175.07536	0.9
177.05397	1.1
177.12784	1.1
179.07053	1.5
195.13722	3.1
205.04999	2.6
211.13211	0.8
213.14847	5.1
231.15927	2.3
235.27831	0.6
283.06384	0.7
289.07053	28.1
290.07529	0.9
299.06201	3.8
335.12836	0.9
344.97659	1.3
422.47455	0.7
489.19171	0.7
497.34869	0.7
519.20813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33951	0.2
55.05498	1.1
56.05022	1.2
57.03419	0.5
58.06341	0.4
58.06557	1.3
60.08160	18.3
67.05498	3.0
69.07066	0.6
71.07368	7.0
71.14940	0.6
71.15292	0.4
79.05490	1.8
81.07046	2.4
86.09700	56.2
87.10049	0.3
91.05486	1.0
93.07030	2.0
95.04954	0.4
95.08605	1.6
98.98456	4.2
104.10735	100.0
105.07031	0.8
107.08562	0.6
107.30844	0.3
109.10126	0.3
117.07002	0.3
119.08597	0.6
121.10156	0.5
124.99994	32.1
131.08562	0.4
133.10114	0.5
143.01114	0.3
143.86011	0.3
162.13744	0.3
163.01515	0.7
184.07329	95.1
193.30261	0.3
219.06339	0.3
258.11084	1.2
305.33124	0.3
335.25922	0.8
500.24908	0.2
500.31320	8.4
518.32410	22.4
519.32727	0.4
525.62347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05024	0.5
57.03418	0.2
58.06627	0.4
60.08157	6.9
62.20160	0.1
67.05499	0.9
69.07069	0.2
69.63842	0.4
69.64271	0.5
70.06577	0.2
71.07366	3.6
74.20633	0.1
79.05482	0.4
81.07063	0.6
86.09696	32.9
87.10040	0.3
90.41972	0.1
91.05458	0.3
93.07038	0.3
95.08596	0.4
97.06573	0.1
98.97811	0.2
98.98454	3.4
98.99084	0.2
104.10728	2.8
105.40431	0.1
107.08584	0.2
124.99989	24.4
135.23705	0.1
136.37897	0.1
143.01038	0.2
158.90375	0.1
159.83713	0.1
184.07323	100.0
185.07626	0.4
192.09953	0.1
196.83682	0.1
252.46355	0.1
257.16098	0.1
258.11017	0.3
268.02130	0.1
289.38531	0.1
299.05939	0.1
335.25357	0.1
373.75787	0.1
404.19070	0.1
500.31009	1.0
518.32336	1.3
534.18420	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.129
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26081	1.0
65.03931	3.1
65.16467	1.1
68.99783	2.0
70.03278	6.9
74.06054	1.7
79.01861	1.8
82.06564	1.5
84.04495	4.3
95.04943	1.8
97.02892	1.7
97.68911	1.1
110.05980	3.1
111.00797	3.4
111.04411	2.6
121.02853	2.0
122.05996	2.2
123.04393	2.3
125.02338	3.2
126.05458	2.5
127.03923	1.5
133.02855	1.9
135.04398	1.6
138.05511	6.5
139.03886	100.0
140.04247	2.0
142.04955	3.4
143.03415	3.0
147.04460	1.5
149.02296	1.5
151.03905	9.3
151.42274	1.3
153.01816	23.2
154.04916	1.7
155.03433	1.7
161.05992	1.5
163.03891	17.5
164.07117	1.5
166.04999	5.9
168.06572	7.5
169.04897	1.5
175.03865	1.6
177.01697	1.6
177.05438	2.1
178.04901	1.7
179.03426	2.6
179.06982	2.0
180.06526	3.8
181.04979	2.9
184.06084	2.1
188.98189	1.6
192.06548	10.1
194.04459	9.2
201.05357	2.2
204.06618	2.2
205.04935	5.3
210.07590	2.6
212.05536	11.0
230.06468	2.4
271.05954	2.6
289.06998	19.4
305.06369	1.7
330.09647	9.5
342.48697	1.1
348.10663	6.2
366.11777	2.2
500.11459	1.5
518.12567	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	518.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49169	0.9
68.99786	3.0
70.51641	3.1
79.01837	3.6
83.04959	0.8
86.72164	0.6
87.83643	0.7
97.02892	1.2
103.04301	0.9
107.01309	0.9
123.04394	1.3
125.02351	2.4
126.05520	0.8
127.03903	2.7
134.95284	0.8
135.04427	2.3
139.03905	10.1
141.46336	0.8
143.03392	5.7
151.03891	2.0
153.01817	100.0
153.02783	4.1
154.02229	1.0
161.58351	0.8
163.03906	5.3
173.06000	1.2
179.03375	21.8
185.05965	1.4
194.04466	0.8
197.05940	1.7
201.05498	3.0
203.07137	1.1
212.05525	1.9
220.55984	0.7
225.05492	1.9
229.04919	3.8
253.04883	2.1
271.06003	34.8
272.06171	1.1
287.05536	3.1
289.07062	4.3
315.05048	1.4
330.09705	0.8
331.04471	10.7
348.10562	1.4
353.15250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.8
55.01855	1.7
55.05508	13.9
55.13715	1.0
55.69232	0.7
57.03428	4.5
57.07066	2.8
64.05514	0.9
65.03925	1.7
66.61139	0.8
67.05499	36.8
69.07064	15.3
71.04976	1.4
71.17582	1.4
79.05487	24.7
81.07053	38.5
83.04969	1.7
83.08609	9.7
85.06524	2.1
91.05472	21.2
93.06427	1.5
93.07036	31.3
95.04960	3.4
95.08598	29.0
97.06531	4.2
97.10151	3.9
98.00866	0.8
99.08070	1.6
103.05497	1.1
105.03373	2.1
105.07022	24.0
107.08585	20.8
109.06526	1.1
109.10146	15.6
111.08059	2.2
117.06995	8.8
119.08568	27.5
121.10129	19.1
123.08051	1.8
123.11711	5.5
125.09628	1.3
129.06976	4.1
131.04903	1.0
131.08563	17.8
133.10124	19.7
135.11665	12.9
137.13191	0.9
139.11127	1.3
141.07021	1.0
142.07747	1.2
143.08524	5.4
145.10104	15.8
147.11667	13.4
149.09598	1.4
149.13246	5.9
155.08521	2.1
157.10120	5.3
159.11691	11.9
161.13246	8.2
163.11192	1.1
163.14856	4.0
165.12813	1.4
169.10139	2.4
171.11687	5.1
173.13251	9.1
174.86082	0.9
175.14873	4.6
177.16383	1.8
181.08592	1.1
181.10139	1.7
181.12181	1.0
183.11697	2.5
185.13208	4.9
187.14833	5.5
189.16391	1.4
190.13420	0.9
195.06459	0.9
197.13264	2.0
199.14885	3.5
201.16371	3.2
203.18010	2.9
211.06055	2.0
211.14825	1.6
213.14684	1.3
213.16525	2.0
215.17834	1.1
217.15906	1.0
219.17557	1.5
221.13380	1.0
222.99390	1.0
225.16438	1.0
227.16129	1.1
227.18224	1.3
229.19450	1.3
231.17465	1.8
231.39615	0.9
233.18958	1.2
239.18178	1.1
241.17815	2.0
245.19063	1.5
257.18982	1.4
259.20547	3.3
273.22079	1.5
287.23682	1.9
297.11151	1.2
299.12534	1.0
299.23819	2.2
301.25079	1.8
307.22653	1.1
313.10745	1.3
313.25272	2.2
315.23212	1.3
317.24722	1.3
325.25385	1.0
327.26944	1.6
333.24356	2.3
335.25800	1.1
355.26248	1.2
391.28314	1.5
405.29825	2.4
407.33170	4.9
425.34119	17.0
443.35248	6.0
459.34735	0.9
461.36505	1.7
463.35889	1.3
499.37833	20.6
500.38074	1.5
517.38849	100.0
518.39600	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	517.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19765	0.8
53.03930	1.4
55.01875	1.7
55.05249	1.0
55.05503	14.4
57.03422	4.5
57.07056	2.2
62.18763	0.9
65.03934	1.3
67.05152	1.6
67.05499	31.3
69.07056	17.5
70.38941	2.9
70.39291	0.7
71.04980	2.1
72.09613	0.7
79.05025	1.6
79.05482	24.1
81.07049	40.9
83.04987	2.4
83.08614	9.7
85.06530	2.0
91.05469	23.3
91.06042	1.1
93.07037	30.6
95.04952	3.6
95.08598	29.9
97.06518	2.5
97.10156	4.3
99.08054	1.6
103.05453	1.0
105.07016	29.7
107.04912	1.0
107.08580	22.0
109.06499	2.6
109.10146	15.3
111.08047	2.1
117.07005	11.2
119.08566	26.2
121.10125	16.2
123.08066	2.0
123.11710	4.1
125.09617	1.9
127.07539	1.1
129.07005	4.1
131.08554	17.5
133.10114	18.3
135.08051	0.9
135.11694	9.4
137.09589	1.1
139.11168	1.1
141.06934	1.4
143.08534	6.7
145.10115	15.9
147.11673	13.9
149.09612	1.4
149.13199	5.2
155.08553	1.5
157.10121	6.7
159.11670	13.8
161.09633	1.2
161.13222	7.0
163.03906	2.2
163.14778	2.9
165.12782	1.1
169.08661	1.3
169.10104	2.8
171.11693	6.4
173.13232	9.9
175.14841	5.3
177.16341	1.0
181.10182	0.9
183.11671	2.2
185.13246	4.6
187.14836	6.0
189.12665	0.9
189.16362	2.2
195.06552	2.8
197.13239	2.6
199.14790	2.2
201.16403	3.4
205.15834	0.9
211.06078	1.2
211.14847	1.3
213.07613	1.0
213.16393	3.0
215.18033	2.0
223.14903	1.1
225.16368	1.5
227.18047	1.6
233.66963	0.9
241.17999	3.4
241.19962	1.0
245.19031	1.6
257.18887	1.2
259.20544	3.9
261.22198	0.9
266.23621	0.8
271.20688	1.0
273.22131	1.8
277.21576	1.2
285.22089	1.9
287.23630	1.6
297.11160	1.3
299.12787	1.6
299.23792	2.3
301.25226	1.7
305.24823	1.0
313.25293	1.6
315.23373	1.4
327.26874	2.1
331.26239	0.9
333.24396	1.7
341.24725	1.0
342.44333	0.9
343.26416	1.4
357.27744	0.8
361.27530	1.7
405.30109	1.9
407.28229	0.9
407.33093	4.4
419.31335	1.3
425.34116	15.1
443.35181	6.5
461.36465	1.9
481.36533	1.2
499.37823	19.6
500.37921	1.1
517.30548	3.5
517.38843	100.0
518.39502	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	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.16341	0.8
53.03927	2.0
55.01870	1.7
55.05509	14.6
57.03437	4.2
57.07064	2.0
58.59416	0.9
61.61934	0.9
65.03933	1.8
67.05155	1.6
67.05499	29.1
69.07063	13.9
71.04973	2.5
71.71849	1.3
79.05489	24.1
81.07052	37.6
82.07403	0.8
83.04966	1.9
83.08619	7.9
85.06536	3.2
91.05020	0.9
91.05472	24.8
93.07038	28.7
95.04948	4.2
95.08601	30.7
97.06525	3.0
97.10163	5.4
99.08111	1.2
103.05434	1.4
105.03374	1.6
105.06345	1.6
105.07027	24.5
107.07848	1.2
107.08579	22.9
109.06504	2.5
109.10161	13.3
111.08062	2.6
117.07007	10.1
117.69230	0.8
119.07751	1.7
119.08576	26.7
121.06499	1.2
121.10132	17.3
121.39884	0.8
123.11706	4.9
125.09618	1.9
127.07526	0.8
128.06273	1.1
129.07008	5.5
129.07829	0.9
131.04916	2.2
131.08554	16.9
133.09190	1.5
133.10129	18.9
135.11693	12.2
137.09666	1.3
137.13223	1.5
141.06972	1.5
143.08536	6.6
145.10104	19.2
147.11678	15.2
149.09590	1.4
149.13228	7.8
153.56177	0.9
155.08545	2.5
157.10118	6.3
159.11691	15.5
161.09401	0.9
161.13248	10.3
163.11169	2.1
163.14793	2.6
169.08688	1.2
169.10107	2.8
171.11714	6.1
173.13240	10.6
175.14752	5.4
177.16441	1.6
183.11723	3.4
185.13263	5.7
187.14784	5.4
189.12613	1.2
189.16415	3.2
195.06480	1.8
195.11638	1.0
197.13254	2.6
199.14798	2.6
201.16428	3.4
203.17885	1.6
205.15808	1.2
211.06070	1.2
211.14740	2.1
213.16483	2.0
215.17923	1.2
217.15924	2.0
219.17336	1.2
225.16441	1.5
231.17429	1.0
241.18036	3.3
245.18922	1.2
259.20602	3.8
273.22144	1.1
285.22186	1.5
287.23642	1.7
289.21588	1.0
299.23804	2.8
301.25098	1.2
305.24802	1.0
313.25330	1.8
315.23361	1.4
327.26846	2.2
329.24698	1.1
333.24374	1.8
337.24991	1.2
355.26239	1.0
391.28366	1.3
405.29861	1.3
407.33173	5.2
419.31552	1.6
425.34109	16.6
433.29016	1.0
443.35294	7.0
447.30847	1.2
475.34442	1.0
481.27020	1.5
481.36612	1.4
499.28647	2.3
499.37762	18.1
517.38861	100.0
518.39252	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	517.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01855	2.2
55.05503	16.1
57.03436	5.8
57.07068	1.5
65.03934	1.8
67.05499	34.8
69.06754	1.1
69.07067	16.1
71.04977	2.3
71.17490	2.1
71.17861	2.0
77.03925	1.2
79.05027	1.6
79.05481	24.5
79.07477	0.9
81.07050	42.3
83.01354	1.1
83.04984	1.3
83.08611	7.9
85.06533	1.8
91.05471	23.7
93.07039	33.8
93.99605	1.0
95.04943	3.4
95.08596	33.8
97.06522	3.5
97.10161	3.8
103.05460	1.4
105.03399	7.6
105.07020	29.9
107.08583	22.6
109.06527	2.3
109.10138	14.2
111.08051	2.2
112.18605	1.0
117.07018	9.6
119.08574	27.3
121.06564	1.1
121.10140	16.5
123.08067	2.1
123.11703	4.8
125.09566	1.5
129.06961	4.6
131.04919	1.4
131.07657	1.8
131.08559	17.5
133.10124	21.6
135.11674	10.2
137.09631	1.6
137.13257	1.1
142.07819	1.0
143.08563	8.7
145.10110	20.3
147.11664	16.2
149.13231	7.2
151.43781	1.2
155.08615	2.7
157.10124	6.8
159.11693	13.2
159.41997	0.9
161.13240	10.4
163.14838	3.5
169.10069	2.5
171.11629	6.0
173.13254	11.3
175.14870	4.3
177.16351	1.7
183.11690	3.9
185.13242	5.9
187.14806	5.7
189.16348	2.5
195.06473	1.5
197.13390	2.3
199.13235	1.5
199.14877	2.9
201.16310	4.9
203.17975	3.1
211.14662	0.9
213.16434	2.7
215.17984	1.7
217.19447	1.4
219.17595	1.3
225.16521	1.5
227.18063	2.0
241.17761	2.6
241.19824	1.6
247.20592	1.0
249.18726	1.3
259.20477	4.6
267.10031	1.0
271.20505	1.3
273.22238	1.2
277.21494	1.2
285.22079	1.0
287.23785	2.5
299.12933	1.5
299.23730	3.3
301.25119	2.0
311.23682	1.4
313.10565	1.3
313.25211	2.1
316.71011	0.9
327.26822	1.2
333.24347	2.2
335.25769	1.8
383.51831	1.0
405.30164	1.4
407.27917	1.2
407.33170	3.1
419.31430	1.4
425.34125	16.3
426.35074	0.9
443.35190	7.2
461.36450	2.2
499.29666	1.8
499.37845	19.7
517.38849	100.0
518.39288	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	517.3883
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03924	2.8
55.01855	1.7
55.05508	13.9
55.13715	1.0
55.69232	0.7
57.03428	4.5
57.07066	2.8
64.05514	0.9
65.03925	1.7
66.61139	0.8
67.05499	36.8
69.07064	15.3
71.04976	1.4
71.17582	1.4
79.05487	24.7
81.07053	38.5
83.04969	1.7
83.08609	9.7
85.06524	2.1
91.05472	21.2
93.06427	1.5
93.07036	31.3
95.04960	3.4
95.08598	29.0
97.06531	4.2
97.10151	3.9
98.00866	0.8
99.08070	1.6
103.05497	1.1
105.03373	2.1
105.07022	24.0
107.08585	20.8
109.06526	1.1
109.10146	15.6
111.08059	2.2
117.06995	8.8
119.08568	27.5
121.10129	19.1
123.08051	1.8
123.11711	5.5
125.09628	1.3
129.06976	4.1
131.04903	1.0
131.08563	17.8
133.10124	19.7
135.11665	12.9
137.13191	0.9
139.11127	1.3
141.07021	1.0
142.07747	1.2
143.08524	5.4
145.10104	15.8
147.11667	13.4
149.09598	1.4
149.13246	5.9
155.08521	2.1
157.10120	5.3
159.11691	11.9
161.13246	8.2
163.11192	1.1
163.14856	4.0
165.12813	1.4
169.10139	2.4
171.11687	5.1
173.13251	9.1
174.86082	0.9
175.14873	4.6
177.16383	1.8
181.08592	1.1
181.10139	1.7
181.12181	1.0
183.11697	2.5
185.13208	4.9
187.14833	5.5
189.16391	1.4
190.13420	0.9
195.06459	0.9
197.13264	2.0
199.14885	3.5
201.16371	3.2
203.18010	2.9
211.06055	2.0
211.14825	1.6
213.14684	1.3
213.16525	2.0
215.17834	1.1
217.15906	1.0
219.17557	1.5
221.13380	1.0
222.99390	1.0
225.16438	1.0
227.16129	1.1
227.18224	1.3
229.19450	1.3
231.17465	1.8
231.39615	0.9
233.18958	1.2
239.18178	1.1
241.17815	2.0
245.19063	1.5
257.18982	1.4
259.20547	3.3
273.22079	1.5
287.23682	1.9
297.11151	1.2
299.12534	1.0
299.23819	2.2
301.25079	1.8
307.22653	1.1
313.10745	1.3
313.25272	2.2
315.23212	1.3
317.24722	1.3
325.25385	1.0
327.26944	1.6
333.24356	2.3
335.25800	1.1
355.26248	1.2
391.28314	1.5
405.29825	2.4
407.33170	4.9
425.34119	17.0
443.35248	6.0
459.34735	0.9
461.36505	1.7
463.35889	1.3
499.37833	20.6
500.38074	1.5
517.38849	100.0
518.39600	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	517.2946
Annotation	28,29-Epoxyplukenetione A
Peak:m/z	Relative Intensity
52.43105	3.1
53.03928	5.8
55.05509	26.4
57.03420	5.1
57.07061	7.7
57.20628	3.2
61.79267	2.6
67.05498	50.2
69.07061	34.1
71.04974	4.2
79.05489	42.5
81.07051	80.2
83.01331	17.3
83.04960	8.2
83.08613	15.7
84.59235	3.2
85.06512	7.6
91.05473	69.1
93.07035	60.5
95.04950	16.7
95.08594	61.0
97.06525	9.9
97.10143	7.8
100.15656	3.0
103.05434	4.3
105.03375	31.2
105.07022	59.6
107.08583	44.0
108.68349	2.9
109.06499	11.3
109.10151	40.2
111.08073	5.9
115.05479	3.5
117.07007	16.2
119.08566	45.6
121.06497	8.3
121.10131	46.0
123.08050	7.7
123.11699	11.1
125.09603	4.5
127.07533	12.7
127.62992	3.6
129.06995	10.2
131.04887	11.6
131.08569	22.6
133.10123	50.2
134.10452	6.4
135.08029	9.7
135.11685	22.9
139.07541	19.8
143.08551	9.2
145.06412	3.9
145.10106	21.1
147.07993	5.6
147.11682	50.8
149.09624	12.3
149.13304	15.2
151.07520	12.7
153.09032	4.4
155.08536	5.8
156.09331	4.1
156.29449	2.8
157.10107	11.1
159.11702	18.0
161.09605	4.4
161.13237	19.1
161.51315	3.0
163.07530	14.1
163.14841	5.8
165.09143	5.2
167.07112	16.8
169.08681	24.7
169.10068	5.9
171.11658	7.2
173.13217	9.5
175.11211	6.4
175.14815	15.4
177.09160	4.1
177.16428	5.9
181.08614	47.5
181.10150	6.0
183.11662	4.2
185.13260	7.0
187.14854	7.9
191.06984	3.8
195.06528	43.4
195.10141	9.0
197.09608	5.4
197.13115	3.6
201.16347	5.6
203.17908	22.2
205.08417	5.7
207.10085	7.9
209.13402	3.6
211.05995	4.5
211.14830	4.5
213.07497	16.2
213.16402	7.6
214.09946	5.1
215.10719	5.9
215.17732	4.7
219.17407	4.6
229.63185	3.8
231.17235	7.8
237.11057	3.9
239.10707	7.8
244.55087	3.2
249.14903	3.5
257.11707	10.8
257.15356	5.5
259.20706	3.7
261.14822	15.5
269.11453	5.9
285.11148	34.6
297.11423	4.1
299.12692	4.2
310.70383	3.5
313.10654	68.3
349.21561	5.0
371.25827	24.9
373.21823	3.7
381.24164	4.7
391.22406	3.2
399.25305	43.2
407.33167	5.2
425.34079	12.4
447.25214	5.1
461.36142	3.3
490.07806	3.8
499.28247	9.7
499.38010	20.0
517.22504	5.1
517.29370	51.6
517.38666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.0
53.03924	0.2
55.01860	0.4
55.05493	0.5
65.03932	1.2
67.01849	0.2
67.05488	1.1
68.99773	0.5
69.07048	0.4
69.65175	1.5
69.65581	0.3
79.05486	0.7
80.69412	0.2
81.03400	0.3
81.07054	1.8
83.04970	0.6
83.08592	0.3
83.40653	0.2
91.05462	0.6
93.03423	0.3
93.07043	0.5
95.04963	0.5
95.08590	0.5
97.22769	0.2
103.05402	0.2
104.16243	0.2
105.07006	0.7
107.04958	0.6
109.10172	0.3
111.00793	0.5
111.04429	1.1
112.89122	0.2
119.08572	0.7
121.02869	1.2
121.10140	0.5
123.04414	2.2
123.11687	0.5
127.03895	0.4
135.04422	0.4
139.03886	100.0
140.04225	0.8
147.11696	1.2
151.03893	7.7
151.05078	0.5
153.05438	0.3
163.03891	4.8
165.12787	0.6
177.05444	0.4
179.07013	0.5
181.04951	0.5
205.04935	1.8
211.11159	0.2
229.04997	0.3
229.14368	0.3
271.05948	0.2
289.07022	8.0
513.11237	0.3
517.28052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77756	3.3
53.03937	7.8
55.05505	17.3
57.07083	8.0
65.03873	3.4
67.05160	3.7
67.05499	53.7
69.07054	48.1
69.45406	3.4
71.04979	5.7
72.11666	3.3
75.18398	3.7
79.05485	38.7
79.43073	3.2
81.07048	72.8
83.01344	30.0
83.08597	10.5
87.04443	3.6
91.04936	6.1
91.05466	75.2
93.07048	62.4
95.04967	13.0
95.08596	73.3
97.06583	4.9
103.05447	8.3
105.03384	52.2
105.04485	4.3
105.06358	6.1
105.07024	100.0
105.07735	5.8
107.08588	51.9
109.06528	3.3
109.10149	57.6
111.11723	4.3
115.05426	7.1
117.06983	21.0
119.08567	86.6
121.10126	44.9
123.11687	29.8
125.05958	3.8
128.06165	3.8
129.06978	13.6
131.04903	10.9
131.08534	16.9
133.09203	5.6
133.10120	61.2
135.08018	6.9
135.11688	23.8
141.06972	5.9
143.08510	11.3
145.06429	5.7
145.10136	22.0
147.08015	4.8
147.11679	72.2
149.09578	5.0
149.13239	10.2
155.08557	10.8
157.10120	9.4
159.11659	16.9
161.13240	26.3
163.07518	7.1
163.14815	7.8
165.06947	6.2
167.07040	14.9
167.08516	5.5
169.08742	4.4
169.10136	9.9
171.07941	4.3
173.13190	5.2
175.14769	12.4
177.16270	3.5
179.08606	4.3
180.09346	4.6
181.10066	6.9
183.11644	6.4
187.11224	6.8
187.14862	5.6
189.16341	3.9
191.07007	18.6
192.09389	3.8
193.10176	8.5
195.06470	7.1
195.08081	7.7
195.11703	8.4
199.07460	4.7
199.11185	3.8
201.16327	9.1
203.17935	55.4
209.09546	5.4
209.13071	3.4
211.11125	4.1
213.12726	4.7
221.13147	3.8
223.11191	5.6
225.12756	4.3
229.47629	3.5
235.11040	6.7
235.14705	4.6
237.12888	4.1
241.12173	19.0
251.10645	11.7
253.12343	5.4
254.09312	7.8
263.14282	4.8
267.10162	15.6
269.11694	83.1
271.13251	19.1
275.14264	4.7
281.11615	4.8
297.11139	18.9
315.12173	74.9
339.16400	4.4
379.71234	4.1
471.28735	6.7
473.30579	16.6
481.27112	4.7
499.28485	6.8
517.29279	46.3
517.37946	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	515.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01857	2.7
55.05505	17.8
57.03429	7.5
57.07072	1.7
57.96349	1.0
65.03933	2.6
67.05496	54.1
69.07059	17.6
70.67670	1.8
70.68080	3.0
71.01347	2.3
71.04990	2.7
79.05485	49.4
81.03412	3.2
81.06565	0.9
81.07048	39.7
83.04970	5.8
83.08613	6.8
85.06531	3.8
91.05468	31.3
93.07036	53.1
95.04960	8.1
95.08598	27.3
97.06522	8.0
97.10175	7.2
99.08118	1.5
105.04456	1.3
105.07025	17.3
107.08580	32.9
109.06509	1.8
109.10129	10.7
111.08082	1.6
117.07002	9.1
119.08566	15.2
121.06520	1.4
121.10129	15.9
123.08038	1.4
123.11611	2.0
125.09619	1.4
129.06999	3.6
131.08551	15.0
133.10106	11.2
135.08063	0.9
135.11681	39.3
141.07025	1.4
143.08546	5.4
145.10089	18.6
147.11649	6.4
149.13225	3.7
152.44440	0.9
153.12730	2.6
155.08505	1.9
157.10112	4.8
159.11681	8.5
161.13263	4.1
163.11189	4.2
169.10107	1.6
171.11690	3.1
173.13252	8.0
175.14832	2.6
181.09987	1.0
181.12210	6.0
183.11682	2.6
185.13304	3.1
187.14809	3.2
195.11806	1.0
196.19557	1.0
196.96860	0.9
197.13176	2.2
199.14743	2.1
201.16417	1.4
209.13287	1.8
211.14760	1.9
213.16379	2.0
223.14867	1.3
247.98576	0.9
261.22180	3.9
271.20685	1.0
299.23550	1.1
343.26382	1.0
405.31430	2.4
423.32608	8.9
441.33640	2.5
459.34671	2.2
497.36371	4.2
515.37280	100.0
516.37299	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01861	1.4
55.05508	15.4
57.03422	3.9
57.07060	2.5
65.03944	1.1
67.05502	43.8
69.07069	12.6
71.04984	2.1
72.13292	0.9
78.59480	0.8
79.05489	36.9
81.03392	2.6
81.07053	30.6
81.07447	0.6
83.04987	4.5
83.08608	4.5
85.06555	1.8
91.05477	25.0
91.06044	1.3
93.07040	37.3
95.04949	6.4
95.08599	23.2
97.06525	6.4
97.10176	4.4
98.21413	2.1
102.30748	0.8
105.03365	0.9
105.04514	1.3
105.07032	16.5
107.04959	0.8
107.08587	23.8
109.06522	2.0
109.10149	7.6
111.08080	3.0
115.05449	1.6
117.07021	9.7
119.08572	14.9
121.10144	11.3
123.08092	1.2
123.11720	2.1
125.09608	1.3
128.06256	1.0
129.07021	4.1
129.82727	0.9
130.07742	1.5
131.08549	14.8
133.10121	12.4
135.11688	26.4
141.06985	1.1
143.08551	8.0
145.10109	14.3
147.11679	6.2
149.13272	3.8
153.12732	1.2
155.08569	2.9
157.10112	8.9
158.34685	0.8
159.11681	9.7
161.13228	4.4
163.11238	2.6
163.14825	1.1
169.10132	2.7
171.11647	5.3
173.13206	5.9
175.14848	1.6
180.19434	1.0
181.10075	1.5
181.12219	3.7
183.11740	3.4
185.13278	5.8
187.14867	3.2
193.56129	1.0
195.11604	1.2
195.46706	0.9
197.13280	3.0
199.14821	2.3
201.12601	1.0
201.16389	1.6
209.13266	1.4
211.14796	1.7
213.16574	0.9
223.14766	1.4
225.16467	1.3
261.22147	3.1
271.20612	0.9
297.22009	1.0
299.23843	1.5
303.23221	1.2
313.16119	0.9
317.24722	1.0
357.07318	0.9
387.51584	1.0
405.31564	2.9
423.32651	8.6
441.33746	4.2
459.34714	1.7
463.50342	1.0
497.36258	6.4
515.37317	100.0
516.37799	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.8
55.01865	4.6
55.05505	29.6
57.03442	17.1
61.02916	10.9
65.03936	6.5
67.05504	92.2
68.05817	5.4
69.03424	12.6
69.07060	22.5
71.04990	5.3
73.00077	3.4
73.02895	6.6
79.05483	61.3
80.05840	4.8
81.03403	23.5
81.07053	100.0
82.07381	5.6
83.04974	13.3
83.08611	15.3
85.02899	11.9
85.06552	3.7
91.05466	37.8
93.07043	64.6
94.07358	4.8
95.04957	16.3
95.08604	65.1
97.02876	7.8
97.06545	8.2
97.10172	6.5
99.08087	6.9
105.07034	32.3
107.08587	30.8
109.06488	9.0
109.10148	27.8
111.08098	4.7
115.05428	3.5
116.82267	3.6
117.07005	13.8
119.08594	26.8
121.10143	33.7
123.08064	5.0
123.11697	9.6
129.06999	5.7
130.07297	3.8
131.04921	5.8
131.08560	30.9
133.06480	4.4
133.10126	22.2
135.08038	5.3
135.11678	22.4
137.13284	6.1
143.08606	4.8
145.10104	14.6
147.08075	5.3
147.11668	17.0
149.13266	17.8
157.10129	8.4
159.11656	17.2
161.13304	9.7
163.14828	9.2
165.12865	4.0
171.11650	3.9
173.13246	15.1
175.11186	4.6
175.14815	4.5
187.14827	8.4
193.12274	10.1
199.14909	4.3
201.16411	4.8
211.13260	16.5
212.13631	10.2
231.17496	4.0
243.21045	10.1
261.22113	48.1
262.19601	3.5
269.17358	11.3
270.17825	10.9
286.17322	13.5
298.65936	4.1
301.21512	7.7
335.25909	18.4
351.22995	4.3
353.26923	10.6
369.24359	10.1
377.26706	4.4
419.27850	8.9
461.28995	5.5
462.28992	6.4
480.30469	21.1
489.91507	4.3
515.37238	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	515.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.1
55.01838	0.3
65.03931	1.1
67.05485	0.9
68.99774	0.7
69.03414	0.4
71.11749	0.6
71.26158	0.4
79.05476	1.0
81.07037	1.0
91.05461	0.9
93.07030	1.2
95.04956	0.7
99.04440	0.5
105.07036	1.3
107.04887	0.4
107.08568	2.0
111.00784	0.8
111.04408	1.1
117.06979	0.4
119.08575	0.3
121.02030	0.3
121.02825	1.5
121.10112	1.0
123.04424	2.7
127.03893	0.4
131.04922	0.4
131.08598	0.3
133.06479	0.4
133.10124	0.4
135.04359	0.4
135.11661	0.5
139.03886	100.0
140.04210	2.8
141.04327	0.7
145.10109	0.8
149.05916	0.3
149.09613	0.6
151.03891	7.7
163.03891	5.3
163.11148	1.5
179.06985	0.8
191.10669	1.2
196.64656	0.3
205.04912	1.7
209.11748	0.4
227.12755	0.4
270.65195	0.3
289.07059	9.7
503.54257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	1.9
53.03944	4.4
53.14472	2.1
53.91894	1.8
55.01852	3.6
55.05506	23.1
57.03433	10.1
57.07065	3.9
57.86063	2.4
61.02916	6.2
65.03912	3.3
67.05498	89.3
69.03412	6.4
69.07067	15.1
70.10162	2.0
71.04977	4.1
71.72701	3.6
73.02913	3.0
79.05029	3.8
79.05485	57.2
81.03396	7.6
81.07045	100.0
82.84779	2.4
83.04957	6.1
83.08612	9.3
85.02887	6.3
85.06514	4.2
91.03907	2.6
91.05468	37.2
93.07034	68.6
93.17908	2.3
93.55741	2.1
95.04958	10.8
95.08015	4.0
95.08598	76.5
97.02872	4.3
97.06495	6.4
97.10159	5.1
99.08083	4.1
103.03945	2.4
105.07015	30.6
107.04968	3.9
107.08576	40.7
109.06500	8.0
109.10145	32.7
111.04464	3.0
111.08073	5.4
111.11672	3.1
117.07028	15.7
117.96494	2.1
119.08593	24.0
121.10128	34.9
123.08058	4.5
123.11681	16.8
124.18813	2.1
125.09663	3.2
127.03980	3.1
129.06973	3.3
131.08562	23.1
133.10143	20.6
135.08018	3.5
135.11681	29.8
137.09607	3.0
137.13260	6.1
141.06871	2.1
143.08533	8.2
145.10110	23.0
147.11674	19.6
149.09590	4.4
149.13231	18.8
155.08575	3.1
157.10095	6.6
159.11708	16.4
161.13261	11.2
163.11200	3.6
163.14816	14.5
165.12813	3.8
167.22479	2.2
170.25578	2.3
171.11693	5.4
173.13278	22.3
175.14827	5.5
177.12737	3.5
177.16357	5.7
179.14238	3.2
181.10194	3.0
185.13208	2.8
187.14828	5.5
191.14539	2.5
201.16403	5.3
201.58414	2.6
211.69539	2.2
219.17383	3.8
233.22493	2.4
243.21059	27.9
261.22119	70.7
269.17615	2.0
269.95685	2.1
275.19891	2.9
279.23181	2.7
285.21936	2.9
297.22147	2.3
301.21765	3.2
303.23285	4.1
327.22955	2.6
332.60880	2.3
335.25751	23.7
345.24097	4.1
346.25055	2.5
353.26941	13.8
369.24197	4.7
377.26862	3.8
405.26437	2.7
419.27826	5.0
443.27768	2.6
449.28723	2.7
461.28854	2.4
479.30136	2.7
497.31104	7.4
515.37433	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	514.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	12.7
57.03431	13.2
57.07069	4.4
65.03917	2.8
65.71043	2.6
67.05497	51.6
69.03442	2.8
69.03874	2.5
69.07063	20.8
69.44278	23.4
69.44679	6.2
71.05002	6.2
79.05491	31.7
81.03429	3.2
81.07053	100.0
83.04990	3.9
83.08610	15.4
85.06545	6.9
87.97751	3.0
89.06002	5.1
91.05484	29.5
92.45100	2.6
93.07045	36.5
95.04965	4.2
95.08606	26.3
97.06515	14.4
98.21468	6.6
99.08116	4.9
105.07032	28.0
107.08593	28.6
109.06465	3.8
109.10172	3.3
111.08070	3.3
117.07020	3.4
119.08562	22.6
121.10130	29.8
123.08070	4.8
123.11687	19.5
127.07650	2.7
131.08617	7.6
133.10115	6.6
133.43965	3.2
135.11678	6.4
143.08522	2.8
145.10165	3.2
147.11668	41.6
149.13266	18.6
157.10182	2.6
159.11697	9.8
165.12733	16.0
183.13739	4.0
193.04970	2.8
195.13820	11.7
208.44165	2.6
217.65749	2.8
229.14413	6.0
249.57916	3.4
267.15915	54.5
269.17477	78.9
285.17026	43.0
399.41562	3.0
430.96255	3.1
479.30042	90.7
480.30444	6.0
515.36975	9.6
516.95264	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	514.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14113	2.3
53.03937	5.3
55.01870	6.2
55.05504	23.8
57.03433	23.1
57.07056	3.0
58.91785	2.0
67.05499	69.3
69.03407	3.3
69.07059	21.1
69.13595	1.9
70.91058	4.8
71.04996	5.6
79.05489	47.5
81.03411	51.8
81.07050	85.8
82.07398	2.9
83.04973	17.9
83.08614	24.3
85.02906	16.0
85.06525	4.8
87.07870	2.6
88.51014	2.3
91.05471	37.2
93.07040	56.9
95.04962	27.0
95.08597	24.0
97.06507	11.7
97.10165	6.2
104.99374	2.3
105.07020	27.4
107.04938	2.7
107.08578	29.7
109.06502	5.6
109.10125	7.6
111.08083	13.0
113.06016	3.5
117.06191	2.2
117.07021	8.9
117.48209	2.3
119.08561	14.6
121.10134	23.2
123.03508	2.3
123.07993	2.6
123.11745	3.9
129.07002	7.3
131.08575	18.9
133.10107	14.7
135.11702	6.2
142.34944	2.4
147.08125	3.3
147.11691	12.2
149.13249	26.2
157.10106	11.3
159.11674	12.3
175.11176	11.5
177.12758	7.1
193.12219	37.6
195.13757	12.5
211.13287	55.9
267.15918	18.6
269.17484	100.0
270.17618	3.3
285.16925	43.3
461.28995	28.7
479.30051	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39671	2.6
53.03940	5.7
55.01858	3.2
55.05280	3.0
55.05508	33.0
57.03425	21.7
65.03925	3.0
67.05157	4.4
67.05503	84.5
68.05836	3.9
69.03422	4.6
69.07059	22.0
71.04984	9.2
71.95758	2.8
73.02907	5.0
79.05042	3.2
79.05489	54.1
81.03413	47.7
81.07052	96.7
82.07365	3.2
83.04976	15.1
83.08607	34.2
85.02905	28.9
85.06536	4.2
91.05476	54.2
92.05811	4.4
93.07039	64.6
95.04963	25.4
95.08595	34.2
97.02901	8.3
97.06515	11.9
97.10173	4.6
98.20694	5.6
105.03383	3.0
105.07024	30.8
107.04939	10.1
107.08582	31.4
109.06509	6.5
109.10163	17.4
111.08085	15.7
117.06995	12.5
119.08573	22.2
121.06490	3.0
121.10135	19.9
123.00780	6.2
123.08062	6.0
123.11696	6.9
129.05495	3.8
129.06996	10.9
131.08556	18.2
133.06538	2.8
133.10104	21.5
135.11693	14.1
137.09613	3.1
142.07869	2.9
145.10069	6.1
147.11671	16.0
149.09575	9.3
149.13199	13.4
151.07536	9.6
152.07904	2.9
153.46730	2.8
157.10135	10.3
159.11684	11.2
165.01817	5.2
169.08565	20.7
170.08937	6.5
175.11166	14.3
177.12708	4.0
190.97775	2.8
193.12228	45.4
195.13759	17.0
211.13274	71.3
224.97981	2.7
229.78772	3.0
251.05762	2.9
261.22171	3.1
267.15955	20.4
269.17471	100.0
285.16953	67.8
369.24591	3.0
424.48877	2.9
461.29041	21.0
479.23303	5.6
479.30017	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01849	3.9
55.05508	20.6
57.03424	11.3
57.31021	2.4
58.12406	2.6
61.02909	10.9
61.82678	2.2
65.03926	2.1
67.05499	47.9
68.05889	2.4
69.03403	5.6
69.07053	17.0
71.04969	5.6
71.71941	3.8
73.02903	5.8
79.05484	39.0
81.03427	18.0
81.07049	58.1
82.03714	3.0
82.07377	4.5
83.04961	8.4
83.08620	13.0
85.02888	14.4
85.06561	5.0
91.03930	8.0
91.05473	35.1
93.07037	48.0
94.07349	2.9
95.04945	10.5
95.08602	24.2
97.02881	8.1
97.06467	5.1
97.10149	4.4
105.07024	33.1
106.39790	2.7
107.04919	4.3
107.08578	34.2
109.06511	3.7
109.10178	21.5
117.06983	11.6
119.08567	27.6
121.10125	26.9
123.08075	3.7
125.09610	5.1
129.05495	2.6
129.07005	7.8
131.08566	19.8
133.10139	27.7
135.08034	4.1
135.11690	27.3
137.09624	3.5
139.03871	4.8
143.08563	8.9
145.06493	4.4
145.10114	12.3
147.04366	2.6
147.11667	29.2
149.13237	17.3
151.11101	2.4
155.08542	3.1
157.10130	7.5
159.11681	17.2
161.13210	19.9
163.11151	4.5
163.14697	5.7
165.12682	5.1
171.11647	8.8
173.13255	8.3
175.14795	9.8
183.11635	3.3
185.05962	2.5
185.13235	8.4
187.14813	3.2
193.12186	4.4
195.13721	3.6
199.14792	4.3
211.13136	2.7
217.15834	2.7
217.19394	3.7
221.15332	3.0
229.14394	5.6
231.21104	3.8
231.98083	2.4
241.19485	19.1
259.20587	43.4
267.15884	9.2
268.16229	7.9
269.17471	3.1
277.21573	8.1
285.17068	5.7
286.17239	2.9
289.06830	3.3
307.55548	2.5
333.24329	5.9
349.23648	4.9
351.25269	100.0
363.25443	2.9
385.23822	3.2
423.27203	8.4
441.26483	4.0
477.28104	4.3
478.28937	6.9
495.28979	8.0
513.28522	12.4
522.78027	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.1
55.05507	27.0
57.03429	14.5
57.07070	4.7
61.02911	11.7
65.03930	5.0
67.01846	4.5
67.05511	57.2
69.03432	5.0
69.07053	22.9
70.76132	12.6
71.04980	8.8
73.02911	5.3
79.05499	43.1
81.03422	14.6
81.07058	100.0
83.04973	11.0
83.08622	14.4
85.02914	9.9
85.06544	8.3
91.03931	3.4
91.05477	41.8
93.07047	49.2
95.04976	8.3
95.08607	36.5
97.02846	6.8
97.06522	7.4
99.08076	6.0
105.07032	48.9
107.08585	29.0
109.06536	6.0
109.10143	17.4
111.08086	5.9
116.04761	3.8
117.06998	10.3
119.08586	32.6
121.10143	31.7
123.11691	15.9
125.09629	4.1
129.07004	7.1
131.08548	13.2
133.10135	28.4
135.11688	15.9
145.10110	10.5
147.04449	4.9
147.10619	5.3
147.11691	65.2
149.13275	11.4
157.10114	7.1
159.11700	11.3
161.13280	13.1
163.11205	6.1
163.14839	5.7
165.12766	24.8
175.14769	9.1
177.12764	6.9
185.13229	6.4
193.12267	7.1
229.14421	9.8
234.51106	3.7
241.19537	14.6
246.45644	4.8
259.20523	30.3
267.15887	44.8
268.16443	5.7
277.21667	7.5
285.16968	47.4
342.01367	4.4
349.23596	5.4
351.25323	63.4
365.74924	4.1
374.55429	4.6
423.27319	5.4
441.26614	7.6
477.28207	15.6
478.28665	4.9
495.29422	28.1
513.29034	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01860	7.2
55.05497	21.2
57.03431	19.7
57.82900	4.1
61.02913	15.5
65.03934	5.3
66.39185	3.4
67.05493	46.2
67.73275	3.4
69.03418	9.7
69.07049	15.7
71.04984	5.1
71.08620	9.3
73.02908	5.5
79.05490	51.3
81.03415	9.0
81.07050	75.1
83.04996	3.9
83.08601	10.8
85.02915	18.5
85.06544	7.6
91.03950	8.4
91.05468	41.5
93.07034	53.5
95.04954	11.6
95.08611	34.1
97.02891	8.7
97.06515	6.4
99.08098	7.5
105.07012	48.5
106.99332	4.3
107.04932	5.2
107.08591	37.1
109.06525	8.2
109.10158	21.5
113.05961	4.3
117.07006	13.9
119.08574	44.9
121.10143	32.3
123.08059	5.3
123.11724	9.2
127.03902	5.4
129.05493	9.6
129.07031	7.5
131.08551	14.4
133.10123	27.5
135.11684	30.9
143.08498	7.2
145.10089	16.5
147.11678	28.1
149.13255	14.3
157.10159	6.7
159.11697	13.7
161.13246	15.5
163.11185	5.7
163.14787	4.4
165.12827	8.8
169.10109	4.4
171.11697	9.6
173.11862	5.3
173.13280	10.2
173.65279	4.5
175.14815	7.8
179.14294	20.8
185.13258	9.7
187.14915	4.6
229.14294	7.1
241.19461	19.0
258.05807	4.3
259.20502	34.4
267.15863	13.8
277.21536	21.5
285.16910	20.5
333.24310	5.8
351.25262	100.0
423.27438	5.5
477.27945	7.2
495.29349	11.6
513.27777	9.5
513.35254	8.3
516.45728	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	513.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.2
54.86267	0.2
55.01860	0.2
55.05499	0.4
55.06168	0.2
63.20778	0.2
65.03934	1.6
67.05488	1.0
68.99783	0.8
69.03422	0.6
69.07070	0.2
70.82776	0.7
71.04976	1.0
79.05479	1.2
81.03424	0.4
81.07030	0.7
83.04983	0.4
85.02898	0.2
91.05459	1.7
93.03413	0.4
93.07045	1.3
95.04951	0.8
95.08585	0.9
97.02901	0.3
97.06505	0.2
99.04443	3.0
105.07021	7.8
105.07729	0.5
107.04947	0.8
107.08598	1.2
109.06539	0.3
109.10138	0.2
111.00792	0.6
111.04430	1.1
117.06964	0.3
119.04898	0.3
119.08566	0.7
121.02892	1.3
121.06480	0.4
123.04427	3.2
123.08044	0.4
127.03879	0.4
128.06194	0.3
131.04939	0.4
131.08522	0.5
133.06488	1.0
133.10129	4.3
135.04427	0.5
135.11668	0.5
139.03891	100.0
140.04245	0.9
143.08536	0.6
145.10114	0.6
146.07266	0.3
149.05937	0.6
149.09584	0.4
151.03897	9.8
151.07506	0.4
159.04399	0.4
161.09612	7.3
163.03899	5.1
163.11177	2.3
165.12836	0.3
177.05487	0.6
179.03374	0.4
179.07008	0.7
179.10663	2.8
181.04947	0.7
181.12267	0.3
187.03966	0.3
189.09068	1.8
191.17076	0.2
193.05011	0.3
205.04970	3.0
207.10187	1.0
219.06676	0.2
229.05002	0.3
247.05954	0.5
271.06210	0.3
287.05414	0.3
289.07047	9.3
303.12323	0.4
327.04929	0.3
327.12024	0.2
439.25113	0.2
513.28497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1907
Annotation	Sorocenol B
Peak:m/z	Relative Intensity
55.01858	1.4
55.05490	2.1
57.03414	2.0
57.07043	0.6
59.47707	0.5
67.05496	6.2
68.99785	7.5
69.03403	0.9
69.07042	2.0
70.07427	2.9
71.04979	0.9
73.02885	0.5
77.03979	0.6
79.05498	4.1
81.03394	1.4
81.07047	23.1
83.01336	16.2
83.01833	0.9
83.04974	4.2
83.08588	1.3
85.06542	0.7
91.05457	5.8
93.07039	3.8
95.04927	1.3
95.08592	1.6
97.06525	2.7
97.10133	0.9
99.08060	1.1
103.05466	4.8
105.03387	0.7
105.07002	2.1
107.04929	1.3
107.08560	1.6
109.06504	7.9
109.09538	0.4
109.10147	3.4
111.00775	1.9
111.04410	2.2
111.08058	0.7
115.05459	1.5
116.04707	0.5
117.07000	1.0
119.08550	1.2
121.06444	1.5
121.10123	1.6
123.08049	0.8
125.05974	6.8
127.07547	19.3
128.06157	0.5
129.05478	2.7
129.06955	2.5
131.04910	19.5
131.08514	1.2
133.10051	0.8
135.04388	1.1
135.11658	0.6
141.06984	8.4
143.03342	0.5
145.10059	0.7
147.11658	0.6
149.05968	7.2
149.13185	0.8
151.07497	2.0
152.04674	5.0
153.05455	5.4
155.04868	1.3
155.08556	0.9
157.04977	0.5
159.08032	0.8
159.11734	0.7
165.59717	0.5
167.07068	3.1
169.06471	5.2
169.08604	6.5
173.05981	0.9
173.11621	0.8
177.05476	5.8
179.04901	0.6
185.11653	0.5
187.07521	7.6
191.08539	1.2
195.06512	100.0
197.05954	2.6
213.07564	45.9
215.07007	46.1
216.07281	0.5
219.08026	3.0
229.14400	2.5
257.11728	1.6
269.17493	0.6
299.12753	96.6
300.13022	1.0
335.05231	0.7
368.59177	0.5
383.26367	0.5
423.27216	1.3
512.50220	1.2
513.11896	4.7
513.29651	0.8
513.36328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
55.05496	0.7
65.03941	0.7
67.05489	1.0
68.99786	8.9
69.03420	1.1
78.04694	1.6
79.05475	1.0
81.03403	0.9
81.07016	0.6
84.93560	0.5
85.02880	0.6
91.05458	2.9
91.42585	0.6
93.07037	1.2
95.04984	1.0
103.05457	0.8
105.03386	0.6
107.04951	4.7
111.00783	2.7
111.04445	1.8
117.06969	0.7
119.04925	2.9
121.02850	1.0
121.06526	2.6
123.04406	6.6
124.05183	1.4
127.03906	2.8
131.04929	1.6
133.02826	1.7
135.04420	1.7
137.05939	1.3
137.67839	0.6
139.03891	52.3
140.04257	0.6
145.06548	0.8
147.04405	12.6
148.05191	2.9
149.05997	1.2
151.03905	7.0
152.04672	1.2
153.01799	1.4
155.04865	1.0
157.02878	1.0
159.04414	1.8
161.05934	1.0
163.03877	7.4
163.59090	0.6
165.05460	2.4
167.07028	100.0
168.07323	1.5
169.06432	0.7
171.04388	2.3
173.05910	2.7
175.03896	10.6
176.04672	3.4
177.05443	8.8
179.03371	6.0
179.06998	0.9
180.04095	0.9
181.08633	1.4
183.04543	0.7
185.05956	2.3
187.03903	0.8
189.05441	3.3
193.04865	2.8
194.05746	2.5
197.06010	1.2
199.03929	5.3
201.05461	21.3
203.03375	48.5
204.03693	1.5
205.05043	1.2
207.06473	4.4
209.08076	39.9
213.05440	3.9
215.03352	1.7
217.04910	4.2
219.06465	1.1
225.07692	0.7
227.03323	3.4
231.06604	0.9
241.04958	4.4
243.06540	1.6
245.04460	8.8
259.05988	2.8
261.03928	13.0
269.04431	27.2
270.04861	1.6
271.06021	0.9
285.07401	0.7
287.05475	38.5
288.05875	0.9
289.07019	8.8
290.07553	0.9
303.08615	1.6
305.06537	39.3
306.06836	1.1
313.07034	2.5
322.73163	0.7
345.09827	1.7
375.10312	0.7
388.11707	0.7
495.12827	1.5
513.13776	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	513.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14200	0.2
55.01858	0.5
55.05501	0.3
57.73940	0.2
65.03932	1.1
67.05487	0.3
68.99787	1.1
69.03435	0.3
71.70821	0.2
71.71265	0.3
83.04958	0.7
86.09720	0.2
91.05006	0.3
91.05473	2.9
93.03391	0.6
95.04991	0.3
97.02871	0.5
97.98550	0.2
107.21560	0.2
111.00818	0.3
111.04433	4.0
119.04925	4.0
121.02876	0.5
123.04398	1.2
133.02855	0.2
135.04364	0.2
139.03886	100.0
140.04222	1.4
140.47404	0.2
147.04387	3.6
149.02396	0.4
149.05986	0.5
151.03896	2.4
153.01822	1.1
157.04012	0.3
161.05872	0.2
161.86394	0.2
163.03911	2.3
167.07025	0.3
175.03902	5.2
177.05415	0.3
179.06981	0.7
181.04922	0.6
183.71579	0.2
196.68388	0.2
205.04971	1.3
207.06506	10.7
208.06842	0.3
209.04399	0.9
247.05978	0.2
271.06027	0.3
287.05283	0.3
289.07040	3.2
343.04428	0.3
345.09109	0.2
361.05371	0.4
513.19043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01868	5.9
55.05508	26.7
57.03421	8.9
57.07072	2.4
59.04992	2.8
61.02903	1.9
65.03944	5.2
67.05500	71.7
68.30183	1.2
69.03433	6.2
69.07066	14.4
71.04987	61.9
79.05487	46.8
79.05934	2.9
81.03411	60.5
81.07049	100.0
83.04975	17.4
83.08611	27.5
85.02897	28.9
85.06556	6.4
87.04454	1.9
91.05471	77.5
93.07038	40.9
94.24259	1.4
95.04959	27.5
95.05516	2.0
95.08595	21.6
97.02914	3.7
97.06519	13.4
97.10184	4.3
99.04430	1.8
99.08121	2.1
105.07019	42.8
107.04948	6.4
107.08585	25.9
109.06502	9.2
109.10146	11.9
111.04436	2.6
111.08061	10.6
113.06043	2.4
117.07017	7.7
117.07748	1.5
119.08570	19.3
121.06510	3.3
121.10141	15.0
123.08109	5.5
123.11696	21.7
125.09598	2.1
128.06288	1.3
129.06984	10.3
131.08556	16.2
133.06523	2.9
133.10121	38.4
135.08064	7.5
135.11710	5.6
137.09650	2.0
142.07813	3.9
145.10149	3.8
147.08080	2.3
147.11681	14.3
148.19051	1.3
149.09662	6.1
149.13254	11.2
151.11169	14.6
151.12074	1.3
157.10080	10.7
159.08105	1.5
159.11649	9.1
161.09587	1.9
165.12799	5.3
175.11198	11.8
177.12703	7.2
183.13809	21.9
187.13330	2.0
187.24033	1.6
193.12239	46.8
195.13869	5.4
211.13275	55.4
227.12840	2.5
267.15872	7.1
269.17581	1.5
275.19998	2.6
283.15680	2.4
283.19070	1.8
285.16977	5.1
291.23270	3.4
299.18619	2.0
313.16397	1.4
317.21237	1.5
335.22086	7.6
435.27414	4.4
461.28418	2.0
467.30020	37.5
479.30258	2.9
493.27820	2.8
511.32779	55.5
512.33112	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.7
55.01864	42.3
55.05247	4.2
55.05507	63.6
57.03429	26.0
57.07064	16.6
59.04984	2.8
65.03920	4.5
67.05499	99.2
69.03423	19.6
69.07056	23.2
71.01336	3.4
71.04993	15.6
73.02906	4.3
77.03911	3.1
79.05039	5.2
79.05485	88.1
81.02961	4.8
81.03416	91.1
81.07051	100.0
82.04185	11.1
82.19785	2.7
83.04972	43.0
83.08609	48.8
85.02895	42.4
85.06532	7.6
89.19794	2.4
91.05472	89.2
91.81027	2.6
93.07030	55.8
94.07824	3.6
95.04961	60.6
95.08030	3.8
95.08595	35.8
97.02877	9.0
97.06525	27.8
97.10161	17.3
98.07305	11.9
99.08073	5.9
105.07021	47.3
107.04926	19.9
107.08583	29.8
109.06522	14.4
109.10131	25.9
111.04421	12.0
111.08062	25.6
113.06013	6.1
116.04737	3.7
117.05469	3.6
117.07007	9.1
118.39921	2.7
119.08569	38.8
121.06500	6.7
121.10130	29.7
123.08042	13.7
123.11675	9.8
124.49635	3.0
125.09592	23.7
127.11182	9.5
129.05479	6.0
129.06996	25.8
130.07663	3.2
131.08527	25.7
133.06474	8.1
133.10107	30.3
135.08037	10.0
135.11682	11.1
137.09633	6.0
142.07753	5.7
142.53204	3.0
145.10124	7.2
147.08066	7.1
147.11671	39.1
149.09596	17.6
153.09071	3.5
153.12796	3.1
155.08432	2.6
157.10114	21.7
158.05728	12.4
159.06516	3.0
163.11147	9.4
163.28781	2.6
164.11943	3.4
165.12695	8.0
171.06474	19.4
171.10114	4.0
175.11179	29.8
179.14252	3.4
181.12234	5.1
185.08109	8.3
189.11206	6.6
191.10507	2.9
192.88173	3.1
193.12234	96.8
194.12694	3.1
196.09096	2.7
199.09621	6.1
199.13329	7.8
201.14847	5.1
209.11681	10.4
211.13278	97.7
213.11162	5.4
227.12816	16.1
229.14290	3.7
242.15096	6.3
255.15881	16.0
258.63345	3.1
267.15887	13.3
269.17416	4.4
283.15356	11.0
283.18869	4.8
285.17065	13.7
291.23135	3.7
298.17865	7.5
301.16562	3.2
311.18484	7.4
311.22168	7.0
325.20236	5.0
326.24506	3.5
335.22202	9.3
339.17950	15.9
339.21655	5.2
367.20972	6.2
382.27066	6.6
409.25912	5.6
439.26807	8.4
465.28415	4.9
475.26782	3.1
493.27869	9.4
494.28409	6.7
511.28900	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09638	1.7
53.03942	7.0
55.01866	15.6
55.05503	27.1
57.03428	11.2
57.07056	5.1
61.02924	16.6
65.03925	4.7
67.05499	64.8
69.03426	12.3
69.07067	27.3
71.04990	28.3
71.71532	3.7
72.89984	2.1
73.02912	8.4
79.05489	48.7
81.03410	34.8
81.07050	100.0
82.04173	4.7
83.04976	18.3
83.08614	14.8
85.02910	25.0
85.06525	7.2
87.04424	2.0
91.03947	9.9
91.05475	61.6
91.06053	3.3
93.07037	40.5
95.01308	3.9
95.04967	20.0
95.08598	30.2
97.02897	14.1
97.06521	23.7
97.10150	7.2
99.08110	2.3
101.02345	3.7
103.05436	2.2
105.07021	69.1
107.04951	14.6
107.07927	2.6
107.08586	28.6
109.02884	4.0
109.06483	6.9
109.10153	12.6
111.04430	6.4
111.08067	8.7
113.05978	3.2
115.05440	1.9
117.06997	12.0
119.08580	36.8
120.08887	2.1
121.06490	6.1
121.10126	18.7
123.08061	5.5
123.11692	19.5
125.09612	6.2
127.03891	7.0
129.05501	3.5
129.06987	7.8
131.08549	21.9
133.10120	36.7
135.08063	3.9
135.11702	7.1
137.09581	3.5
137.13208	3.6
142.07683	1.9
143.08508	2.4
145.04926	3.0
145.06497	3.3
145.10060	14.5
147.11678	37.7
149.09579	5.9
149.13239	6.8
151.11150	8.7
157.10103	6.7
158.05701	3.1
159.11653	8.9
161.13182	2.6
163.11165	5.4
165.09103	2.3
165.12752	16.7
169.10107	2.4
171.06503	4.3
175.11154	6.6
177.12730	4.9
179.14304	7.9
183.13739	6.0
187.11179	2.7
193.12221	21.3
195.13751	2.6
209.11667	2.3
211.13257	23.4
219.13797	1.9
227.12807	4.0
229.14291	3.0
230.90373	2.5
244.70473	2.5
255.15697	2.5
257.18973	4.1
267.15829	16.0
275.20056	55.7
285.16818	2.4
339.17966	4.1
349.23651	19.4
367.21008	3.1
391.35886	2.0
467.30038	18.2
493.27805	4.7
511.28839	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01865	2.6
55.05509	13.7
57.03432	10.3
58.45520	1.0
65.03929	1.5
67.05499	9.5
68.99771	0.9
69.03418	6.6
69.07060	3.2
69.99367	1.0
71.01346	18.3
71.04989	3.2
71.71088	1.5
73.02910	2.5
79.05483	6.2
81.03406	5.8
81.07056	8.5
82.06625	1.0
83.04977	48.5
83.08617	3.3
85.02897	100.0
87.00786	1.0
87.04451	1.8
89.02402	1.3
89.58241	1.0
91.05481	12.1
93.07053	6.2
95.04980	5.8
95.08599	4.4
97.02895	1.6
97.06534	1.2
97.10143	3.2
99.04430	1.3
100.11264	3.2
100.63844	1.1
101.06012	4.1
103.05479	1.2
105.07019	5.8
107.04947	4.1
107.08585	4.4
109.06503	1.0
109.10141	2.2
111.04436	67.5
111.08060	1.1
117.06980	1.9
119.04930	14.4
119.08581	2.8
121.06520	1.7
121.10124	3.8
123.04436	6.5
123.11684	1.5
125.09628	1.1
127.03908	11.8
129.05473	41.6
129.06964	2.1
131.04962	1.5
131.08539	2.7
133.06488	1.9
133.10112	3.2
135.04382	1.4
135.11696	1.9
137.05975	4.7
139.03911	3.0
145.10086	1.7
146.78764	0.9
147.04391	40.0
147.11700	2.0
149.05963	1.6
149.09660	1.0
151.07584	1.4
153.05434	4.8
157.10155	1.2
161.05981	1.4
163.03876	1.2
163.11108	2.0
165.05501	1.9
171.06516	58.3
173.09659	1.2
175.03973	1.0
175.11168	1.6
182.15468	2.0
185.16502	0.9
187.03886	1.8
189.05518	3.4
189.07571	10.1
191.10608	1.2
193.12180	5.6
197.05852	1.1
199.03877	1.3
207.01624	1.0
209.11806	2.1
210.14957	1.4
211.13333	3.8
217.04961	2.9
219.13899	1.1
263.05466	2.7
267.16171	1.2
283.15421	1.2
323.07620	1.2
412.01575	1.0
493.27832	2.6
511.28799	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	510.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.2
57.06844	3.5
57.07074	38.6
61.02916	4.0
66.78246	3.6
67.05482	11.8
69.07063	11.0
71.08620	32.7
71.72517	4.2
72.82745	4.1
77.79993	4.5
81.07051	16.2
83.07317	3.8
83.08613	12.0
85.10178	15.0
86.09675	14.0
91.03929	4.2
91.05467	4.7
95.08590	19.7
97.10185	4.3
104.10737	27.4
106.11443	4.2
109.10145	9.0
123.11668	6.1
184.07344	23.7
199.60632	3.6
239.23701	26.3
257.24628	4.5
290.36014	4.5
313.27319	100.0
331.28418	10.5
510.36789	8.2
513.80963	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	509.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92163	1.9
55.01864	5.2
55.05504	17.7
57.03419	3.7
57.06805	3.5
57.07070	52.8
65.03932	2.5
67.05157	3.7
67.05498	66.0
69.03429	2.1
69.07063	20.9
71.04987	4.4
71.08263	2.3
71.08625	34.2
75.60360	2.2
79.05482	19.1
81.07052	68.2
83.04971	6.8
83.08614	13.3
85.06505	7.6
85.10182	19.3
86.09680	4.5
89.06019	3.8
91.05471	40.3
93.07037	17.8
95.04948	7.4
95.08590	33.6
97.10150	6.4
99.04403	2.7
105.07016	44.1
107.07919	3.4
107.08581	38.0
109.06524	6.0
109.10146	81.6
113.05946	2.6
117.07012	2.7
119.08559	2.7
123.11686	14.7
124.79441	2.1
127.07527	6.1
133.08607	3.4
133.10121	80.6
149.89050	2.1
151.11162	50.5
157.10023	2.1
161.09476	2.3
169.12172	14.0
179.10690	2.5
215.12769	7.6
239.23729	7.8
253.14340	54.1
430.44571	2.2
509.38336	100.0
510.38812	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	509.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	4.2
53.03930	8.0
55.01871	22.0
55.05506	65.5
57.03413	19.9
59.04967	8.2
65.03928	5.7
67.05502	94.4
69.03405	7.7
69.07066	25.0
70.27328	25.5
71.04977	26.9
79.05489	100.0
81.03399	34.7
81.06609	7.7
81.07054	99.2
83.04967	25.2
83.08601	34.0
84.90295	4.7
85.02887	11.5
85.06522	11.7
87.04446	6.3
89.51608	5.1
91.05470	65.0
93.07034	94.4
95.04965	82.7
95.08598	49.1
97.06508	21.5
97.10165	39.4
99.04413	5.5
101.52984	4.6
105.07013	49.1
107.04941	57.3
107.08586	49.4
109.06496	57.0
109.10139	15.9
111.04403	5.8
111.08046	12.8
113.05991	4.8
117.06980	23.0
119.08568	36.7
121.06489	41.1
121.10147	51.4
123.08062	15.7
123.11718	10.0
125.09641	41.7
126.18244	5.7
129.07014	16.6
131.08536	32.3
133.06480	8.7
133.10117	25.7
135.08064	25.1
135.11710	10.1
137.05983	8.2
137.09599	6.6
139.03886	20.7
139.11143	13.6
141.06999	5.5
143.08578	12.5
145.06430	14.4
145.10118	20.3
147.08022	13.7
147.11665	12.3
149.09622	22.0
153.12733	7.3
155.08586	11.9
157.10091	10.2
159.07999	5.7
159.11638	6.0
161.09610	7.3
163.11160	24.3
165.09105	6.3
167.10635	17.4
169.10118	8.9
171.08005	9.1
171.11777	5.9
173.09644	8.2
173.13210	7.9
175.11217	12.2
185.09654	6.1
187.14682	4.8
189.11208	18.9
191.14349	7.2
193.10503	4.1
193.12233	28.0
195.11777	6.8
197.13237	9.2
199.11450	4.8
199.13287	20.9
205.12181	5.6
205.15926	5.5
211.13260	20.1
219.13795	39.8
223.13284	15.1
227.12621	27.5
231.13789	6.9
233.15369	18.5
235.13254	5.1
237.12712	6.1
237.14861	16.2
249.14955	11.8
267.15829	9.2
273.14539	8.0
273.16986	17.9
293.17465	25.5
293.20438	4.4
297.67712	4.7
339.23151	9.2
345.02417	5.5
349.21564	19.3
367.22763	56.4
385.23697	54.6
403.24887	13.1
417.25851	5.6
441.26382	13.6
459.27536	55.1
466.19391	7.1
477.28488	42.8
491.30148	33.8
509.31479	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	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30558	1.5
54.29529	1.6
67.05505	3.9
70.06568	2.2
71.00189	3.7
79.05483	6.0
81.03386	2.2
81.07042	3.7
84.04480	2.1
84.08160	1.6
85.02911	1.8
91.05471	17.8
93.07024	5.6
94.04186	4.5
95.04951	3.4
95.08578	2.0
103.05464	3.5
105.07025	6.7
107.04973	9.4
107.08598	2.7
109.10161	1.6
111.04430	3.6
115.05450	6.1
116.57735	1.6
117.07005	6.5
119.04958	7.8
119.08583	3.2
121.06475	6.6
122.03628	9.7
123.04388	2.0
123.08063	4.6
128.06212	3.7
129.06985	9.1
131.04926	7.8
131.08545	4.6
132.05707	1.6
133.02876	1.7
133.06483	3.6
133.10199	2.4
135.04446	2.4
135.08044	5.1
137.05968	100.0
139.03868	3.9
143.04892	3.9
145.06488	3.4
146.03622	3.0
146.07225	2.2
147.04370	5.8
147.07977	3.6
148.05200	3.8
149.05936	5.4
151.03902	3.8
151.07533	46.8
151.08777	2.8
157.06497	6.3
160.05185	2.3
161.05966	81.8
161.09595	17.8
161.70889	1.9
163.03857	1.9
163.07489	9.1
165.06947	3.4
165.09106	3.9
167.07036	2.2
167.08322	2.2
174.06757	5.2
175.07545	27.7
177.09067	8.0
179.08472	2.6
181.06528	1.9
187.07552	2.5
189.07333	2.9
189.09076	40.1
191.07069	2.3
193.10136	2.1
194.07243	2.1
195.08182	2.6
195.10143	21.2
197.05878	1.7
205.06511	3.3
206.07191	2.0
207.08176	3.7
207.10138	43.7
208.08762	1.8
211.07503	3.2
219.08029	3.7
219.10017	2.9
221.05994	1.9
222.06711	3.5
223.07495	1.8
224.08177	2.1
233.05952	2.1
234.06741	3.3
235.07463	3.6
236.08395	1.9
237.09105	5.9
239.07050	2.8
241.08643	3.4
247.07393	2.2
249.09018	8.1
251.06976	2.0
251.10600	3.0
253.08556	7.1
255.06335	2.2
261.09274	2.0
263.07111	1.7
264.07626	2.0
265.08539	12.9
267.10245	3.1
270.08954	2.6
277.08508	11.1
277.11459	1.6
279.10181	4.1
281.08099	3.6
283.09625	5.5
283.12698	1.9
285.11154	10.1
289.07263	2.0
294.09103	1.8
295.09595	3.2
296.10370	4.1
297.11252	20.8
299.12646	5.2
305.11841	3.0
309.11282	5.2
311.12839	18.3
317.13956	4.5
323.12808	8.3
323.46033	1.6
328.25836	1.8
337.14294	16.1
341.13770	2.5
343.15475	3.6
349.14124	3.5
355.15427	14.0
367.15475	7.5
399.12778	1.9
459.17844	2.1
461.19778	2.1
479.20490	5.9
509.21240	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	509.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
65.03945	1.6
67.05485	3.2
71.04958	1.5
71.46500	2.1
79.05476	5.8
81.03400	1.9
81.07051	2.7
85.02876	2.3
91.05472	16.0
93.07025	3.3
94.04172	3.9
95.04967	4.3
95.08595	1.7
103.05439	4.4
105.07050	6.7
107.04926	6.5
107.08581	2.1
109.06480	3.9
111.04391	1.9
115.05447	5.1
115.29427	1.3
117.06981	5.5
118.04134	1.5
119.04961	7.4
121.06479	5.3
122.03635	6.9
123.04433	1.4
123.08051	3.5
125.06999	1.3
128.06192	3.2
129.06996	9.3
131.04913	5.8
131.08554	3.8
133.02789	1.4
133.06454	2.5
133.10110	1.9
135.04340	1.4
135.08069	3.8
137.05960	100.0
139.03905	5.1
145.06482	6.3
146.03578	2.1
146.07228	2.5
147.04343	4.2
147.08049	4.0
149.05957	4.9
151.03929	2.7
151.07523	39.9
157.06485	4.3
159.08035	1.4
160.05196	2.8
161.05963	60.3
161.09589	14.3
163.07529	7.2
165.06946	3.1
165.09094	5.4
167.07056	2.3
167.08531	2.1
174.06758	4.6
175.07532	21.6
177.05493	1.5
177.09074	5.9
178.07751	2.7
179.08563	1.7
181.06419	1.5
181.97847	1.5
187.07573	1.5
189.07329	2.1
189.09074	28.4
191.08600	2.1
191.10472	1.9
194.07213	3.1
195.08211	2.9
195.10114	21.2
197.05949	1.6
199.07556	2.1
205.06534	3.0
205.08324	1.4
207.08170	3.6
207.10112	27.3
209.09650	1.5
209.11652	1.7
210.06711	2.3
211.07526	2.1
219.08014	3.6
221.05887	3.1
222.06680	2.1
223.07584	2.7
225.09137	3.6
227.07010	2.1
233.05904	1.9
234.06779	2.3
235.07520	4.7
236.08386	1.9
237.09120	5.0
239.06972	3.0
239.10309	1.2
247.07558	1.5
249.09142	9.0
250.06116	2.3
251.07013	2.6
251.10570	2.7
253.08554	4.7
255.06508	3.3
262.06354	2.5
263.06793	1.4
264.07828	2.7
265.08582	12.7
267.10168	2.9
269.07819	1.7
270.08896	2.7
273.08817	1.5
277.08548	8.7
277.11972	1.8
279.10056	3.2
281.08124	2.6
283.09695	5.1
285.11227	8.7
293.08356	2.1
293.11728	1.8
295.09641	4.2
296.10403	1.9
297.11163	18.7
298.11935	2.3
299.12823	4.3
305.11819	2.8
308.10422	1.5
309.11206	5.4
311.12729	14.5
315.99026	1.3
317.13922	3.5
323.12726	5.1
327.12375	2.3
337.14374	15.4
341.14032	2.5
343.15326	2.1
347.07574	3.3
349.14160	4.1
355.15433	14.0
367.15314	4.8
433.15964	1.6
461.19443	2.3
465.19135	1.6
479.20566	4.0
491.20438	3.2
509.21259	9.8
509.27518	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1291
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01864	0.7
57.03413	1.2
61.02933	1.4
61.86176	0.7
68.99767	0.6
69.03434	4.2
70.95905	1.7
71.04987	0.7
71.74596	0.5
73.02934	0.6
79.32833	0.5
81.03404	2.0
85.02900	9.6
86.61652	0.5
87.04445	0.8
88.35399	0.6
90.75842	0.6
97.02887	3.8
109.02875	1.6
121.02910	0.7
121.48287	0.5
127.03899	1.5
137.02316	2.4
137.05942	2.1
139.03899	4.4
145.04941	1.1
153.01834	8.1
153.05482	5.7
161.05936	1.3
165.01834	3.2
178.02591	0.6
181.04918	1.6
183.02925	0.7
194.36737	0.7
201.05371	0.6
207.02896	0.8
207.06590	1.2
207.10155	0.7
213.05431	0.9
229.04950	1.4
230.05855	0.8
231.06335	1.1
241.04932	1.6
243.02803	0.9
244.03654	1.6
255.02913	0.7
257.04391	1.7
258.05206	5.3
259.06024	2.5
269.04471	1.7
271.06073	0.6
272.03223	0.9
283.02206	0.8
285.03967	2.2
286.04706	4.4
287.05502	9.7
289.03387	1.0
291.08658	1.7
303.04932	3.0
314.04230	1.7
315.04956	3.3
318.07202	0.6
328.87851	0.6
331.04398	5.4
332.05246	3.6
347.07596	100.0
348.07959	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03413	1.2
61.02933	1.4
61.86176	0.7
68.99767	0.6
69.03434	4.2
70.95905	1.7
71.04987	0.7
71.74596	0.5
73.02934	0.6
79.32833	0.5
81.03404	2.0
85.02900	9.6
86.61652	0.5
87.04445	0.8
88.35399	0.6
90.75842	0.6
97.02887	3.8
109.02875	1.6
121.02910	0.7
121.48287	0.5
127.03899	1.5
137.02316	2.4
137.05942	2.1
139.03899	4.4
145.04941	1.1
153.01834	8.1
153.05482	5.7
161.05936	1.3
165.01834	3.2
178.02591	0.6
181.04918	1.6
183.02925	0.7
194.36737	0.7
201.05371	0.6
207.02896	0.8
207.06590	1.2
207.10155	0.7
213.05431	0.9
229.04950	1.4
230.05855	0.8
231.06335	1.1
241.04932	1.6
243.02803	0.9
244.03654	1.6
255.02913	0.7
257.04391	1.7
258.05206	5.3
259.06024	2.5
269.04471	1.7
271.06073	0.6
272.03223	0.9
283.02206	0.8
285.03967	2.2
286.04706	4.4
287.05502	9.7
289.03387	1.0
291.08658	1.7
303.04932	3.0
314.04230	1.7
315.04956	3.3
318.07202	0.6
328.87851	0.6
331.04398	5.4
332.05246	3.6
347.07596	100.0
348.07959	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
53.46344	1.1
54.94242	1.1
55.01862	2.6
55.05499	2.3
56.05591	1.0
57.03418	5.2
59.04985	1.5
59.50948	1.2
61.02919	10.9
69.03431	21.5
71.04971	2.4
71.11872	3.1
73.02905	4.1
75.12745	1.3
79.05474	2.3
81.03407	8.4
81.07035	6.3
83.01287	1.3
85.02899	100.0
87.04461	6.6
90.43932	1.1
91.03951	4.6
91.05453	5.3
93.07044	11.3
95.08595	2.8
97.02882	29.4
99.04448	3.0
105.07003	2.9
107.04926	2.8
107.08603	3.3
109.02834	9.2
111.08056	1.4
113.04338	1.3
115.03938	1.5
117.07024	2.7
121.06490	1.4
121.10133	18.5
123.11644	1.1
127.03907	23.2
131.08566	2.6
133.06493	3.0
137.05966	11.8
139.03891	3.4
139.11191	2.3
144.06552	2.0
144.54089	1.1
145.04951	37.4
147.04448	1.6
147.08064	1.6
149.09570	5.6
151.07582	1.5
152.63885	1.1
153.01808	2.8
161.05988	1.7
163.06004	8.4
167.10709	12.6
177.09085	1.9
187.11206	2.8
189.09064	2.4
198.48851	1.1
207.10127	1.4
219.31917	1.2
241.08551	3.4
270.99948	1.1
279.93530	1.3
311.16403	8.7
401.16214	1.2
410.92743	1.4
508.20511	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	508.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99944	0.3
53.00306	1.1
54.06222	0.3
55.01862	1.1
56.48738	0.3
57.07071	1.2
59.05000	0.5
65.03932	1.6
67.05489	0.9
68.99778	2.7
69.07076	1.8
70.02936	1.2
71.63899	0.7
72.04515	5.0
72.38798	0.4
73.02915	2.2
79.05501	0.9
83.05013	0.6
85.06535	1.9
86.09710	1.0
87.08096	0.9
90.05550	28.4
93.03385	0.4
95.04977	2.0
96.08157	0.5
98.02418	3.7
100.03984	0.9
103.06973	0.4
103.07561	1.7
105.03379	0.3
105.07015	0.4
107.04974	0.5
111.00802	4.2
111.04387	0.7
112.07564	0.4
113.06013	1.0
116.03452	6.0
121.02847	1.9
123.04436	1.6
124.07585	4.7
127.03947	2.0
133.02834	1.6
135.04385	1.2
138.62044	0.3
139.03893	100.0
140.04242	1.3
141.06993	0.4
142.08617	3.7
142.19824	0.4
145.02823	0.6
149.06001	1.1
151.03908	6.2
159.04407	0.6
160.09688	1.3
161.05925	1.0
163.03902	16.6
166.08612	0.6
169.04993	0.9
172.48817	0.3
174.11264	1.3
177.05446	1.0
179.03346	0.6
179.07007	3.8
181.04971	0.5
184.09703	6.7
193.04869	0.4
202.10736	18.7
205.04956	7.9
215.07123	0.5
220.11792	58.3
221.12071	0.8
229.04950	0.7
240.08575	1.0
243.06454	0.5
247.05875	0.4
261.03961	0.4
271.06009	0.8
288.18155	0.3
289.07053	42.3
290.07434	1.2
370.15027	2.5
378.11749	1.0
490.16724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89519	1.3
54.70794	1.5
56.72124	1.2
57.03435	7.0
69.88785	10.0
71.04620	2.4
71.04986	37.0
85.02895	37.9
86.83662	1.3
89.24277	1.4
91.05466	1.7
98.20799	2.6
107.04970	2.1
119.04906	3.3
121.88657	1.7
127.03876	1.7
129.05472	8.2
132.20773	1.6
134.06062	1.8
135.04396	3.1
139.03902	2.2
143.03389	1.8
146.08150	2.3
147.04411	10.5
147.71472	1.4
153.01820	49.5
153.05449	6.7
162.05525	3.7
163.03888	21.6
164.04698	2.4
165.01796	2.0
165.05479	3.9
178.04901	1.5
180.03001	1.7
180.06535	16.3
181.07253	1.5
182.08086	11.2
188.09100	1.7
191.03287	3.2
192.06586	1.8
193.04994	2.2
195.79503	1.9
208.06015	23.9
210.07614	7.5
215.07062	1.8
225.05496	3.6
232.63565	1.5
243.06519	20.4
245.04503	1.8
253.04976	4.9
260.05392	1.8
271.05911	5.1
281.04486	4.4
288.06244	4.9
289.07007	15.1
299.05469	31.1
303.04926	2.8
317.06421	1.8
319.04510	16.5
326.06812	1.7
327.04965	100.0
327.95895	1.5
328.05450	2.0
344.04492	1.6
344.07690	17.6
345.02264	5.8
345.05963	46.0
362.08707	86.2
506.74396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01856	2.3
55.05508	18.1
56.34473	0.9
57.03422	3.7
57.07073	50.1
65.03928	2.5
67.05501	57.6
68.15599	0.9
69.07064	24.5
70.86057	2.6
71.04983	3.4
71.08625	34.3
75.99332	1.0
79.05490	27.5
81.03412	1.3
81.07051	76.9
83.04979	4.6
83.08617	23.6
85.06528	3.5
85.10183	17.7
91.05476	14.2
93.07040	40.4
94.55807	0.9
95.04984	5.4
95.08009	2.2
95.08601	39.7
96.45112	0.9
97.06522	8.5
97.10155	8.1
99.08085	1.7
99.11712	1.1
103.05395	1.0
105.07005	5.3
107.08587	23.1
109.06506	2.1
109.10145	15.0
111.08089	4.7
111.11716	2.3
117.07015	5.8
119.08585	1.9
121.10135	15.2
123.11693	7.1
125.13358	1.4
131.08554	6.7
132.67152	1.0
133.10136	6.6
135.11705	6.2
137.13258	3.4
139.11253	1.3
149.13252	30.5
151.14819	1.7
159.11713	11.8
166.73006	1.0
177.12744	4.3
178.10532	1.0
195.13831	12.6
213.14890	1.4
221.22586	1.0
239.23668	12.1
292.61957	0.9
377.10706	1.2
507.40439	100.0
508.40778	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	507.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01839	1.1
55.05248	1.1
55.05507	14.8
57.03428	1.6
57.07068	39.6
65.03922	1.9
67.05495	47.0
69.07060	20.7
69.51077	9.8
71.04977	2.3
71.08257	1.7
71.08626	28.4
77.03929	1.0
79.05486	24.1
81.03429	2.4
81.07047	72.5
83.04958	2.6
83.08607	21.3
85.06531	3.3
85.10170	17.2
91.05466	15.1
93.07035	32.4
95.04951	3.7
95.08596	35.2
97.06519	4.8
97.10170	6.9
98.20727	1.6
99.08086	2.0
99.11732	1.5
105.07008	5.8
107.08585	20.0
109.06480	1.4
109.10148	14.7
111.08066	3.4
111.11705	1.9
117.06995	6.2
119.08547	1.5
121.10148	7.2
123.07992	1.0
123.11691	8.7
125.13234	1.2
131.08531	5.4
133.10106	10.1
133.92859	0.9
135.08075	1.4
135.11668	7.9
137.13248	1.7
149.13242	17.0
151.11215	1.3
159.11705	7.2
177.12759	4.4
195.13791	17.1
213.14764	1.8
221.22661	1.1
239.23679	9.0
280.65805	0.9
281.69534	1.0
283.71936	1.0
422.64362	1.0
507.40411	100.0
508.40897	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	507.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42540	3.2
53.00390	3.0
55.01871	3.7
55.05507	15.7
57.07071	43.5
63.32365	3.3
67.05503	62.0
69.07068	24.0
71.08628	31.2
71.71579	5.1
79.05490	25.0
79.88725	3.3
81.07057	84.8
83.08611	24.0
85.06529	4.4
85.10175	18.1
91.05467	17.8
91.49388	3.5
93.07043	33.4
95.04957	4.5
95.08607	33.1
97.06534	6.5
97.10162	11.8
105.07040	4.8
107.08608	22.1
109.10143	13.4
109.42138	3.7
117.07017	6.8
119.08578	4.3
121.10116	12.4
123.11700	9.2
131.08568	7.1
133.10172	6.4
135.11713	5.0
137.02972	3.3
149.13268	25.2
159.11700	8.2
177.12778	6.3
195.13800	12.4
239.23688	7.3
287.89273	3.4
306.34091	3.7
507.40436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05507	13.6
57.03425	2.0
57.07071	40.1
65.03931	1.5
67.05499	43.6
69.07061	21.3
69.39352	1.9
69.39750	9.2
70.31142	0.9
71.04978	2.4
71.08262	1.7
71.08629	25.1
72.08963	1.0
79.05492	23.4
81.07049	61.8
83.04970	4.0
83.08614	19.1
85.06536	3.3
85.10179	14.2
91.05467	10.8
93.07040	33.8
95.04973	4.7
95.08601	31.8
97.06536	5.8
97.10172	5.1
99.08099	2.8
99.11707	1.1
105.04411	1.0
105.07021	2.9
107.08580	16.2
109.06522	1.1
109.10146	11.3
111.08111	4.7
111.08743	1.0
111.11732	2.3
117.07024	5.1
121.06535	1.7
121.10127	10.3
123.11713	7.4
131.08548	5.8
133.10112	6.4
135.11707	5.5
137.13258	2.9
139.11102	1.3
147.11743	1.4
149.13251	24.4
149.14465	1.3
159.11679	8.4
177.12775	4.4
195.13759	12.4
213.14822	2.0
221.22626	1.8
223.54350	0.8
239.23683	9.2
308.60181	1.0
356.01059	1.1
454.95816	1.1
507.40421	100.0
508.40881	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	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61008	1.1
53.03938	4.2
55.01863	2.4
55.05508	25.1
57.03429	6.5
57.07068	29.4
57.07324	2.6
59.04979	2.0
59.71055	1.3
65.03938	3.3
67.05500	100.0
69.07066	21.0
71.04976	3.5
71.08626	15.9
79.05490	30.6
81.03418	4.0
81.07053	78.5
83.04989	2.6
83.08611	20.5
85.06536	3.8
85.10170	7.3
91.05471	22.6
92.96010	1.5
93.07041	40.0
95.04972	4.7
95.08602	49.9
97.06519	5.5
97.10167	14.5
99.08079	1.9
105.07024	15.8
107.04992	1.3
107.08582	26.9
109.06474	2.9
109.10148	53.9
110.10504	1.7
111.08065	3.8
111.11699	1.7
116.56717	1.3
117.06995	7.4
119.08572	13.2
121.10136	15.9
123.11690	9.2
125.08871	1.6
125.09601	9.7
129.07045	2.3
130.07240	1.5
131.08548	11.8
133.10110	12.2
135.08034	2.9
135.11703	11.5
137.09628	2.1
137.13254	3.1
143.08586	1.5
145.10135	5.7
147.11723	8.9
149.09492	1.7
149.13249	11.9
151.14900	1.9
153.09135	1.6
157.10196	2.6
159.11662	10.5
161.13280	6.0
163.14836	4.0
173.11737	10.9
173.13254	5.4
175.14801	1.7
177.12769	4.2
185.13307	1.8
187.14807	3.0
189.11205	5.8
195.13828	4.3
212.31787	1.5
213.14763	1.9
223.16884	1.7
227.12820	8.2
229.14345	23.2
239.23659	4.4
243.21196	2.5
261.22107	17.5
299.23822	1.6
317.24655	2.5
335.25769	14.6
379.29932	2.7
397.31015	6.9
415.31958	5.7
433.32999	4.1
471.34439	2.9
489.35754	29.6
500.35959	1.4
507.40048	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01863	1.6
55.05506	29.1
57.03425	6.6
57.07069	21.4
59.95196	1.4
61.83274	1.3
65.03960	3.3
67.05496	100.0
69.03405	1.7
69.07063	23.3
71.04985	4.9
71.08616	15.1
79.05481	36.4
81.03420	4.9
81.07048	88.1
82.03752	1.5
82.07369	1.5
83.04961	2.6
83.08620	21.3
85.06532	5.4
85.10168	7.8
91.05470	25.0
93.07040	35.8
94.07370	1.9
95.04964	6.7
95.08595	52.6
97.06522	4.3
97.10156	13.3
98.21479	3.7
99.08066	2.0
105.07018	16.7
107.08585	28.0
109.06528	1.7
109.10146	49.7
111.08081	5.1
113.09648	1.5
117.07012	5.7
119.08562	13.9
121.06560	2.0
121.10132	14.6
123.11691	9.9
125.09597	8.9
131.08545	12.0
133.10103	13.1
135.08026	1.7
135.11676	13.1
137.09613	1.4
137.13216	3.2
139.11169	2.5
141.06931	1.5
143.08778	1.5
145.10110	6.2
147.11681	6.8
149.13237	15.1
151.11223	1.4
151.14893	1.7
153.09085	2.7
155.10669	2.8
157.10146	2.9
159.11664	9.9
161.13272	3.8
163.14751	2.4
168.10054	1.3
171.11684	3.2
173.11732	10.9
173.13272	5.5
175.14796	1.6
177.12663	2.5
183.98093	1.5
187.14795	3.5
187.16393	1.4
189.11206	6.5
195.13809	4.6
201.16295	2.1
227.12761	8.7
229.14299	20.8
231.15883	1.5
239.23656	3.1
243.21097	4.7
249.18610	1.5
261.22046	17.2
279.23328	1.7
317.24719	4.0
335.25760	15.3
344.12653	1.4
379.29977	2.5
391.29187	1.6
397.31070	6.9
415.32208	6.4
433.33252	6.2
471.34821	2.9
489.35675	30.1
507.40018	42.4
509.14246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45619	1.6
53.03938	8.8
55.01867	7.2
55.05249	2.1
55.05507	31.8
57.03168	1.9
57.03434	32.4
57.07055	5.4
61.02917	14.8
65.03946	1.6
67.05147	2.4
67.05499	46.2
69.03421	59.8
69.07061	43.8
70.00595	8.7
71.01337	3.8
71.04990	10.5
71.08621	1.8
73.02908	8.9
73.91345	1.3
79.05032	1.6
79.05487	20.8
81.03404	21.1
81.07049	57.5
83.01314	1.7
83.04963	4.0
83.08605	27.9
85.02897	100.0
85.06509	4.2
86.15163	1.4
87.04454	13.3
90.51037	1.3
91.03931	3.5
91.05473	17.7
93.07047	19.4
95.04945	3.8
95.08012	2.9
95.08596	49.1
97.02882	41.3
97.06529	8.2
97.10152	25.7
99.04444	9.4
99.08083	3.5
101.02359	2.7
103.03928	3.9
105.07020	11.2
107.04942	1.9
107.08585	16.6
109.02873	17.1
109.10153	22.6
111.08083	4.0
111.11706	11.8
113.09586	2.1
114.85466	1.3
115.03928	2.6
115.07584	1.7
117.05498	2.6
119.04936	2.1
119.08584	12.1
121.10120	24.3
123.08058	2.3
123.11694	10.2
125.09615	3.2
125.13257	4.9
127.03892	26.3
127.04757	2.5
127.43168	1.4
129.05453	6.0
131.08591	2.5
133.10103	13.9
135.08035	1.7
135.11678	23.3
137.05949	5.1
137.09575	3.8
137.13240	5.9
139.03885	1.8
139.11133	4.2
145.04944	12.0
146.17390	1.5
147.04449	3.6
147.11646	9.4
149.13240	7.5
151.07486	2.1
151.11162	5.7
151.14798	4.7
153.05305	1.6
153.12703	5.6
155.10608	1.8
157.12251	1.7
161.13237	7.7
165.12740	4.4
167.06969	2.0
175.14796	3.8
177.12666	1.5
179.08481	1.5
179.14380	3.5
183.06529	3.2
192.45947	1.6
193.19455	2.3
197.15306	2.3
201.07652	3.5
217.19496	26.8
235.20551	31.0
253.21619	16.4
271.22565	2.5
291.20026	1.4
291.23187	3.7
309.24197	10.4
327.25259	82.7
345.26334	37.0
346.26605	1.7
355.24597	1.7
369.26230	4.0
471.29605	4.2
507.31598	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	507.2799
Annotation	Foliasalacioside I
Peak:m/z	Relative Intensity
55.01859	2.9
55.05512	10.5
57.03433	22.9
57.07065	2.0
59.04991	7.3
61.02928	2.1
67.05492	6.2
69.03427	100.0
69.07063	23.5
69.62270	13.6
71.04984	4.3
73.02910	3.0
73.06554	1.8
73.72237	1.5
75.04463	3.2
78.15974	1.9
79.05474	2.8
81.03395	4.2
81.07060	14.2
82.09044	1.6
83.04967	5.8
83.08611	5.5
85.02902	75.4
85.06558	14.4
87.04462	62.1
91.05492	2.8
93.07030	6.5
95.05013	1.8
95.08611	22.9
97.02890	67.6
97.06532	3.8
97.10148	5.6
99.08085	14.6
107.08585	15.1
109.09492	1.8
109.10169	6.1
111.11719	5.8
113.09644	4.0
115.03934	72.4
121.10138	16.2
123.11694	4.4
125.09631	4.8
125.13293	1.6
127.03899	6.1
127.11124	2.1
129.05513	3.5
133.04959	70.3
135.11703	12.1
137.02362	9.2
137.03264	1.8
137.05972	5.1
137.13257	8.8
139.11183	4.1
145.04956	6.9
149.13261	3.6
151.14928	2.2
153.01828	2.4
153.12733	6.8
177.16374	58.4
187.06053	2.3
195.17441	38.9
197.98416	1.6
213.18486	54.0
303.04993	26.5
304.05286	2.9
315.04965	5.5
327.05008	6.3
331.07986	11.7
344.07709	7.2
345.06189	2.2
345.22522	1.8
362.08667	2.3
375.23663	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	507.2801
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
55.01856	2.2
55.05492	2.5
62.62645	1.4
67.05493	2.6
69.03410	5.8
69.07059	2.1
71.70708	2.8
72.24625	1.4
79.05496	2.3
81.03433	1.4
81.07045	3.5
83.08640	1.9
85.02903	6.6
87.04464	3.1
91.05463	3.4
93.07036	3.4
93.89731	1.3
95.08615	10.5
97.02881	5.6
97.10136	2.0
98.97585	2.2
99.08112	2.3
107.04913	2.3
107.08559	9.0
109.10156	3.0
111.08054	2.1
113.92524	1.2
115.03923	5.2
119.08561	5.6
121.02829	2.2
121.10146	15.4
123.04423	2.1
127.03928	3.2
130.04994	1.6
133.04956	4.6
135.11688	2.5
137.05966	10.2
137.09634	3.3
139.03899	100.0
140.04208	1.8
147.04514	1.6
151.03896	6.2
163.03900	6.8
163.07524	1.6
175.07564	2.5
177.16383	31.7
179.07143	1.3
195.17468	7.7
201.11179	7.4
205.04945	4.5
213.18480	16.6
273.11758	2.7
289.07071	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01854	2.5
55.05483	2.9
58.28582	1.4
61.02911	1.5
65.03924	3.3
67.05488	6.0
69.03401	3.1
69.07064	3.0
71.71050	2.3
74.12650	1.4
75.14134	1.1
76.02175	1.6
79.05478	5.2
81.03396	2.8
81.07040	6.1
83.04968	2.7
85.02881	5.6
85.06516	2.4
85.47314	1.6
88.02184	3.9
91.05470	46.3
93.07035	3.2
94.04196	2.5
95.04955	6.1
95.08585	4.7
97.02863	2.0
97.06507	1.6
97.10117	1.5
103.05498	2.2
105.07042	3.6
107.04954	2.3
107.08604	2.2
109.06526	3.1
109.10151	4.3
111.04443	1.6
111.08096	1.5
115.05396	2.5
116.05302	6.1
119.04925	26.6
121.02836	1.5
121.10121	1.8
122.03642	7.9
123.11765	1.7
129.06992	2.7
131.04901	5.2
131.08542	2.2
133.06433	1.7
133.10098	2.5
135.04393	1.8
136.05170	4.1
137.05963	100.0
137.13156	1.4
139.03888	4.8
143.04890	1.8
145.06427	1.7
147.04378	9.1
147.08090	1.9
149.05991	19.6
151.03918	4.0
151.07529	79.9
157.06534	2.8
160.05125	2.4
161.05974	3.3
163.07492	4.5
165.06981	1.7
165.09082	1.6
175.07542	7.9
176.02913	1.4
181.06490	3.6
184.05154	3.6
187.07532	4.1
189.09189	2.2
198.06787	2.0
199.05695	2.8
199.07532	52.8
203.08548	2.5
204.06862	8.7
205.07118	4.0
211.07463	3.2
213.09056	3.7
220.08794	3.1
229.05023	1.7
231.08073	7.2
232.08975	2.7
234.06699	1.7
241.08595	2.1
245.09526	2.3
247.07452	2.8
248.08429	7.5
249.08949	2.3
259.07489	2.7
259.09708	13.2
260.08218	2.1
261.09058	3.0
262.09888	2.5
263.07584	2.5
263.10620	6.8
265.08472	2.7
275.10776	2.4
276.07806	3.9
277.08478	7.5
278.09268	4.3
279.10046	1.5
283.09549	3.4
285.11307	2.0
288.07813	2.1
289.08478	4.8
290.09396	3.9
291.10141	21.7
292.10690	2.6
295.09604	2.2
297.11267	2.1
300.07901	1.4
303.10159	6.0
305.08084	3.8
305.11597	5.1
306.08868	3.0
307.09613	5.2
308.10474	4.0
309.11118	4.9
315.10110	3.8
320.10318	3.8
321.11246	20.1
322.11728	2.4
323.12744	22.0
327.25125	1.9
335.12759	23.0
337.14301	3.1
347.12653	4.7
351.12137	3.8
352.13321	3.3
353.13849	2.9
365.13834	3.4
369.13727	1.6
403.11551	3.3
418.14059	13.7
419.14813	1.9
431.14746	2.4
439.15402	1.9
459.17947	11.0
471.17804	6.3
489.18835	6.8
520.90277	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1132
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.04292	0.4
53.03935	1.0
60.80756	0.4
61.02909	0.9
62.75407	0.3
65.03916	0.4
68.99796	0.6
69.03423	3.5
70.06569	0.5
71.04964	0.5
71.70648	0.7
73.02904	1.2
78.66262	0.4
81.03407	4.5
85.02899	3.7
91.05444	0.8
93.03455	0.4
97.02879	19.2
99.04441	1.5
107.04948	0.4
109.02847	1.9
111.00796	1.0
112.79418	0.5
121.02853	1.5
123.04443	0.6
127.03907	3.8
131.04872	0.7
135.04521	0.4
137.02327	3.9
137.05943	3.7
139.03905	1.2
141.06984	0.4
145.06461	0.5
149.02261	0.5
149.05948	0.5
151.03900	0.5
151.07532	1.5
153.01808	6.3
161.05975	0.5
163.03905	0.8
165.01793	2.1
170.99588	0.4
173.05960	1.0
174.10950	0.4
175.07529	0.4
177.91895	0.4
183.02847	1.1
187.04057	0.7
187.05972	3.1
195.02849	0.6
199.07428	0.8
201.05525	2.3
229.04956	5.4
230.05363	0.4
247.05920	0.9
257.04449	2.8
274.04523	0.9
281.08206	0.4
285.03906	1.1
303.04962	100.0
304.05267	2.4
413.18634	0.7
459.17996	0.4
507.18701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1132
Annotation	Myricetin 3-O-(3''-O-acetyl)-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
55.05509	3.8
58.51356	2.2
58.92765	2.1
61.02905	3.3
68.99748	2.8
69.55071	17.6
69.55480	5.2
71.04986	61.2
75.04472	6.6
83.04971	32.2
84.26232	2.2
85.02910	18.7
85.46973	2.4
87.04470	11.2
88.04118	2.4
91.46494	2.2
91.89304	2.2
94.84301	2.1
98.20702	4.7
111.04434	74.7
113.06000	29.4
113.67922	2.2
115.03928	6.0
117.04724	2.0
117.05467	14.2
129.05467	100.0
153.01796	11.0
153.05441	2.2
157.03992	2.2
171.06514	34.0
171.43616	2.5
189.07559	52.4
217.04831	2.4
245.04343	3.5
273.03888	4.1
280.09882	2.7
290.34827	2.3
319.04465	79.9
320.04605	2.6
416.95892	2.4
419.96515	2.3
509.62131	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.113
Annotation	Myricetin 3-acetylrhamnoside
Peak:m/z	Relative Intensity
51.07731	1.9
55.05495	6.5
60.95020	2.0
65.03933	2.7
67.05472	2.8
68.99769	1.8
69.03398	3.4
69.35733	1.7
71.01372	2.1
71.31785	4.4
83.04523	2.8
83.04974	36.5
85.02895	100.0
87.04497	2.0
100.38902	2.4
111.04429	20.4
121.02842	3.3
121.24406	2.3
127.03871	6.4
129.05460	10.8
137.02388	3.0
137.05939	4.4
139.03844	3.0
153.01811	28.3
153.02972	3.6
161.02299	3.5
163.03854	2.0
165.01805	3.7
167.03340	3.0
171.06517	68.0
175.03766	2.0
177.01805	3.8
179.03406	2.2
189.01848	3.3
189.07585	10.6
191.24329	2.0
195.03038	3.7
213.05463	2.2
213.16220	2.3
216.30173	2.4
217.04868	2.0
219.99869	2.0
229.05016	2.2
241.04951	5.5
259.06268	2.4
269.04431	6.2
287.05630	4.6
297.03918	6.8
301.03363	6.3
315.04990	18.3
319.04416	7.2
329.02896	19.8
331.04449	34.6
332.05179	5.6
343.04456	61.4
343.08707	3.3
345.06006	2.2
357.06055	5.8
361.05478	53.0
362.05746	2.7
373.05603	5.2
383.07587	4.3
385.05505	20.3
387.06964	3.3
403.06628	22.5
411.06781	11.1
429.08081	6.9
447.09103	9.5
489.10193	8.9
496.19064	2.1
507.11493	3.2
507.23892	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	506.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01855	0.7
57.03418	0.8
57.70768	0.4
61.02920	2.0
64.73288	0.4
65.03926	0.7
69.03429	4.2
70.84747	1.4
73.02921	0.6
81.03396	1.4
85.02895	21.5
87.04460	0.6
90.30836	0.4
91.03928	1.0
91.04923	0.7
91.05464	7.8
97.02891	5.8
99.04468	0.7
101.02334	0.4
101.61603	0.4
107.04958	0.9
109.02866	2.1
117.58434	0.4
118.06554	0.6
118.97774	0.5
119.04934	18.2
119.07301	9.2
119.08131	0.3
119.76649	0.4
122.06005	0.4
123.04430	0.8
127.03905	5.2
131.04781	0.4
131.45866	0.4
134.05992	2.7
135.06772	1.5
136.07579	3.3
139.03911	0.9
145.04951	8.3
146.06000	1.9
147.04391	100.0
148.04771	2.2
150.05528	0.5
150.43637	0.4
150.46942	0.5
153.01855	1.0
163.06000	2.4
165.05461	47.5
174.98190	0.4
176.07103	1.1
203.62596	0.4
252.10117	2.1
254.11723	1.6
256.09656	1.1
263.45651	0.5
269.12851	5.1
280.09378	0.6
298.10764	1.3
309.09915	0.7
315.13330	12.1
328.70758	0.4
443.15982	0.6
461.17075	1.6
471.16144	0.6
478.19626	2.8
489.15948	0.6
521.79138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.9
57.06997	0.5
61.02939	0.6
64.13557	0.5
69.03407	1.7
70.59933	0.8
70.60284	2.0
73.02893	0.6
77.75989	0.6
81.03409	0.9
85.02481	0.8
85.02901	9.9
91.05446	5.6
91.17788	0.5
91.77360	0.5
97.02887	2.7
107.37302	0.5
109.02905	0.7
110.85159	0.6
111.32870	0.6
119.04937	17.2
123.04425	1.0
127.03901	2.0
139.03889	1.0
145.04942	4.5
147.04395	100.0
148.04735	1.7
149.06731	0.6
153.01842	1.3
161.22072	0.7
163.06096	1.1
165.05463	53.3
166.05811	0.7
180.08684	1.0
242.20793	0.6
268.13788	0.7
309.09753	1.1
344.13412	0.6
385.11325	1.0
460.34946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.8
53.03941	5.3
53.22472	0.7
55.01858	1.5
55.05240	0.8
55.05506	13.1
56.99185	0.7
57.03436	1.7
57.07069	47.5
57.23294	0.6
65.03934	1.6
65.08982	0.6
67.05499	32.2
69.03422	2.5
69.07057	11.6
69.96422	0.6
70.81798	0.6
71.04975	1.4
71.08624	31.5
71.98591	0.7
72.41719	0.7
79.05490	15.0
81.03410	100.0
81.07047	29.2
83.04964	2.5
83.08611	31.6
85.06515	0.9
85.10176	17.1
87.07093	0.7
91.05469	20.9
93.07037	9.6
95.04961	26.5
95.08597	33.4
97.02880	2.5
97.06514	1.8
97.10165	9.1
98.21513	1.0
99.08076	1.2
99.11776	1.4
101.55087	0.6
105.07018	13.0
105.95924	0.6
107.04957	6.5
107.08597	4.6
109.02901	0.8
109.06535	2.3
109.10143	15.7
111.04450	1.5
111.08071	7.9
111.11690	1.7
115.05470	2.2
117.06995	2.1
119.04903	1.0
119.08547	10.9
120.70019	0.7
121.06503	2.8
121.10129	5.4
123.04420	0.9
123.08084	2.1
123.11687	6.4
125.13263	1.4
129.07002	10.5
131.08545	8.5
133.06477	1.6
133.10106	4.6
135.11617	0.8
137.09587	1.9
137.13239	2.5
140.78625	0.7
142.07780	2.6
145.10106	1.2
147.08046	3.4
147.11690	5.6
149.09612	5.4
151.14825	0.8
157.10104	10.3
163.11095	0.9
165.12738	1.6
175.11171	9.7
179.14359	1.3
185.13197	1.0
193.12224	59.3
195.11855	0.8
202.42191	0.7
205.12186	0.8
210.79024	0.8
221.22665	1.7
231.13704	1.7
239.23680	11.0
249.14893	7.5
277.21738	0.8
505.38876	92.2
506.39246	2.0
533.13336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26766	0.9
53.03941	6.8
55.01847	2.6
55.05504	18.2
57.03423	1.4
57.07070	54.8
65.03937	2.7
67.05498	37.1
69.03428	2.0
69.07060	14.5
71.01621	3.2
71.04985	1.9
71.08626	38.7
71.09023	2.0
79.05490	21.0
81.03411	100.0
81.07047	38.6
83.04978	5.3
83.08611	32.9
85.06516	1.6
85.10174	20.5
91.05473	30.1
93.07042	10.9
95.04347	0.9
95.04963	30.3
95.08597	36.1
97.02886	2.9
97.06506	2.1
97.10165	8.4
99.08109	1.6
99.11742	1.6
105.07018	17.2
107.04942	7.2
107.08598	4.0
109.06490	1.6
109.10147	19.1
111.04440	1.3
111.08068	6.3
111.11716	1.9
115.05401	1.5
117.07024	2.1
117.51434	1.2
118.12519	1.2
119.08568	13.8
121.06451	2.2
121.10135	6.2
123.04473	1.5
123.08088	1.6
123.11670	7.2
125.13225	1.1
128.06215	1.5
129.06973	11.0
131.04909	1.4
131.08559	10.8
133.06462	3.2
133.10123	7.5
137.09650	1.4
137.13251	3.5
141.06943	1.5
141.33273	1.1
142.07765	3.6
147.08034	2.5
147.11647	8.2
149.09589	5.0
151.14761	1.2
157.10114	8.8
163.11186	2.0
165.12810	1.3
174.90535	1.0
175.11137	11.5
179.14311	2.2
193.12228	67.8
231.13983	1.5
239.23682	11.4
249.14879	7.5
276.96805	1.0
313.27286	1.7
406.34171	1.0
485.17615	1.1
505.38898	94.9
506.39227	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01870	1.2
55.05507	11.5
57.03428	1.7
57.07069	44.7
65.03927	1.7
67.05141	1.5
67.05498	29.0
69.03387	1.5
69.07065	10.7
70.98058	2.1
71.04980	1.4
71.08627	29.8
71.09019	1.5
79.05485	12.6
81.03408	88.1
81.07043	28.8
83.04976	4.7
83.08611	26.2
85.06533	0.9
85.10169	16.2
91.05471	20.6
93.07046	7.9
95.04952	22.8
95.08594	31.1
97.02896	1.9
97.06538	1.3
97.10163	9.6
99.11732	1.6
105.07016	15.5
106.27773	0.8
107.04943	4.9
107.08572	3.8
109.06509	2.8
109.10139	13.6
111.04402	1.3
111.08069	7.5
111.11701	1.9
115.05403	1.5
117.07039	1.5
119.08562	12.1
121.06487	3.0
121.10162	4.0
123.04402	1.9
123.08067	0.9
123.11700	5.7
128.06213	0.9
129.06992	8.8
131.08553	9.3
133.06462	2.3
133.10133	3.3
137.09645	1.2
137.13266	2.5
142.07770	3.1
145.10049	2.4
147.08041	2.6
147.11662	5.6
149.09634	4.5
151.14824	1.2
157.10115	8.7
165.12695	1.9
165.16266	1.3
175.11183	10.3
180.68350	0.8
193.12227	60.5
227.12685	0.8
231.13786	1.5
239.23727	10.6
249.14839	7.4
505.38858	100.0
506.38998	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2637
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.05500	7.7
57.03433	2.8
58.11897	2.6
67.05495	9.1
69.03416	7.6
69.07052	9.1
71.04980	8.3
71.70713	4.5
72.08167	3.2
81.07055	11.3
83.04989	7.1
83.08617	3.6
85.02895	11.9
89.55515	2.6
90.16846	2.4
91.05456	5.1
91.63508	2.7
93.07039	5.0
95.08594	15.8
97.02872	4.5
99.08073	4.7
105.07038	8.9
107.08584	10.6
109.06493	6.3
109.10150	53.8
109.61380	2.7
119.08566	21.1
121.10144	6.4
122.03671	4.1
123.08112	4.7
123.11681	5.2
131.04907	6.0
133.06479	15.2
133.10109	10.1
134.06850	6.5
135.11678	44.6
137.02347	4.0
137.05966	57.2
137.09608	12.6
139.03883	15.4
147.04416	4.2
149.13297	3.9
151.03996	3.1
151.07544	5.7
151.11195	4.8
151.14790	8.7
161.06018	5.6
163.07547	4.3
167.06961	2.9
175.07544	4.0
175.14839	25.8
193.15877	28.0
211.16907	100.0
222.24095	2.8
232.71600	3.3
299.12695	3.7
319.04617	5.3
342.06644	4.4
359.07693	3.6
360.06979	3.7
376.98102	3.1
394.98862	3.4
487.21216	3.7
505.16791	4.3
506.19733	4.2
531.15100	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	503.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03945	4.9
55.01870	1.6
55.05506	21.1
57.03426	3.0
57.07074	4.4
59.04989	1.4
65.03944	3.7
67.05498	68.1
69.03438	0.9
69.07062	16.2
71.04988	7.4
71.70815	1.5
79.05486	36.0
81.03421	6.3
81.07050	100.0
83.01308	1.1
83.04971	1.9
83.08617	8.6
85.06529	8.3
91.05470	30.7
93.07037	36.7
93.07603	2.0
95.04958	7.8
95.08598	27.1
97.06545	2.1
97.10185	4.5
103.05451	1.2
105.03419	1.4
105.07023	22.6
107.04990	1.3
107.08584	22.3
107.09267	1.5
109.06536	2.0
109.10152	12.8
111.08072	1.9
117.07048	4.4
119.08566	18.2
121.10130	18.1
123.11681	13.8
123.12405	1.2
129.07002	3.4
131.08562	10.5
133.08592	1.3
133.10129	17.3
135.11684	8.9
139.11157	1.4
142.07767	1.3
143.08620	2.5
145.10100	8.7
147.11674	10.0
149.13222	5.8
151.11179	7.0
153.12756	2.4
155.08618	1.2
157.10172	3.5
159.11719	8.3
161.13301	3.6
163.14830	1.3
169.10175	1.4
169.12248	2.1
171.11719	2.3
173.13290	4.6
174.14005	1.1
175.14929	1.3
179.03529	1.3
179.08606	1.1
181.04973	2.0
183.11757	1.5
185.13272	1.7
187.13341	8.7
187.14857	2.8
193.12328	3.5
197.04524	1.5
197.13342	1.7
199.14928	1.6
215.18036	1.1
215.41992	1.1
227.16386	1.5
259.20633	2.0
261.22174	5.7
283.09760	1.5
297.00085	1.2
299.06296	1.3
393.31735	3.9
411.32596	6.3
429.33838	2.2
447.34741	1.4
485.36365	4.3
503.37473	88.4
504.38159	4.3
521.99921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01854	0.9
55.05507	20.4
57.03410	2.1
57.07050	2.4
59.04994	1.3
65.03922	2.6
67.05500	65.6
69.03410	1.9
69.07060	14.0
70.21658	4.6
71.04984	7.6
73.06557	1.0
79.05486	33.5
81.03404	2.4
81.07050	100.0
83.01322	1.5
83.04971	2.4
83.08613	6.5
85.06532	9.7
91.05470	33.2
93.07040	35.2
95.04974	6.4
95.08010	1.6
95.08600	28.8
97.06513	2.4
97.10139	3.5
98.21365	1.5
99.08061	1.0
103.05467	7.6
105.03385	1.0
105.04456	1.1
105.06339	1.5
105.07019	22.2
107.08580	26.1
109.06484	3.2
109.10149	15.9
110.89230	0.8
111.08079	2.2
115.05440	1.8
117.07009	9.5
118.11426	0.9
119.08574	14.2
120.93987	0.8
121.06474	2.3
121.10139	19.0
123.08052	3.5
123.11704	13.4
125.09615	1.1
127.07531	1.5
128.06151	1.8
129.06975	4.4
130.07777	0.8
131.04910	23.5
131.08553	15.5
133.10124	19.0
135.08037	4.5
135.11697	11.2
137.09566	1.3
137.13251	1.0
139.07521	4.9
139.11227	0.9
141.06953	1.8
143.08533	3.2
145.10097	8.3
147.07976	0.8
147.11711	6.7
149.09610	1.7
149.13252	4.8
151.07530	3.7
151.11145	6.3
153.09131	1.2
153.12750	1.7
155.08522	2.4
157.10101	5.8
159.08031	2.0
159.11676	7.5
161.09608	1.2
161.13271	3.9
163.07518	5.3
163.11079	0.9
163.14832	3.0
165.09114	1.5
167.06967	2.3
167.08472	1.1
169.08604	13.6
169.10056	2.6
169.12213	2.4
171.11649	2.6
173.09595	3.6
173.13271	5.1
175.14825	4.9
177.08978	1.3
181.01633	0.8
181.08607	12.0
181.10109	1.6
183.11659	2.0
185.13217	1.8
187.13286	8.6
187.14836	2.3
187.99484	0.8
189.16432	1.8
195.06505	3.1
195.10124	5.1
195.11656	1.3
197.13249	1.4
199.14804	1.3
201.16393	1.3
207.10135	2.0
213.16441	1.3
215.18039	0.9
219.17503	1.0
221.11635	1.7
223.14879	1.5
227.14299	1.2
227.16281	1.9
233.11668	0.9
241.15863	2.0
247.13145	1.2
257.11700	2.0
259.20596	0.9
261.14825	3.5
261.22046	3.2
299.12756	1.5
335.23578	1.0
371.25586	1.2
373.27127	1.1
381.24359	1.4
393.31528	1.9
399.25226	1.9
411.32385	4.4
429.33450	1.1
485.30240	5.6
485.36340	3.7
503.31226	19.5
503.37210	64.6
504.31461	2.1
504.37567	2.8
518.82074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
53.03936	3.7
55.01867	1.2
55.05508	16.5
57.03429	2.8
57.07078	3.7
59.04990	1.8
60.69165	0.7
65.03929	3.2
67.05497	64.5
69.07057	14.3
71.04973	5.8
71.08635	0.6
71.72437	1.4
73.06541	1.1
79.05486	35.8
80.05811	1.0
80.06236	0.7
81.03406	3.5
81.07049	100.0
82.07369	2.4
83.01325	2.7
83.04955	2.2
83.08616	7.5
85.06532	10.2
91.05466	28.9
92.05788	2.5
93.07034	33.0
94.07347	1.0
95.04956	6.0
95.08595	23.9
96.08949	1.5
97.06529	3.2
97.10159	4.7
103.05437	0.8
105.03394	1.2
105.04510	0.9
105.07017	17.9
106.07297	0.9
107.04956	0.7
107.08589	19.3
107.21480	0.7
108.08925	1.0
109.06500	3.0
109.10143	12.4
109.10879	1.0
111.08089	1.1
117.07006	5.7
119.08567	13.9
120.08855	0.8
121.06515	0.9
121.10123	14.4
122.10433	0.8
123.01442	0.8
123.08007	0.9
123.11702	12.8
125.05999	0.8
125.09623	1.0
127.07599	1.5
129.06989	2.7
131.04912	1.5
131.08546	9.8
133.10115	17.9
135.08101	0.8
135.11694	8.6
137.09644	0.9
143.08546	2.7
145.10114	7.4
146.10484	0.9
147.11687	7.5
149.13226	6.0
150.13603	0.9
150.95607	0.8
151.11166	6.5
155.08578	1.2
157.10135	2.6
159.11708	4.8
161.13220	3.8
163.14836	1.7
169.10066	1.1
169.12245	2.4
171.11758	2.7
173.13245	3.5
175.14853	2.8
179.03398	0.9
181.08583	1.0
183.11739	1.6
185.13283	1.4
187.13297	7.9
187.14862	2.4
189.16399	0.8
191.07065	0.9
193.12315	1.8
195.06503	4.4
196.06914	1.7
197.13272	1.0
201.16322	1.8
203.18097	0.8
213.07579	1.4
213.16565	1.1
259.20673	1.1
261.22195	3.3
272.13101	0.9
273.13821	0.8
293.22440	0.9
298.11502	1.7
299.06192	1.2
299.12381	2.3
313.55023	0.8
393.31824	1.3
407.97513	0.7
411.32666	2.7
421.23016	1.1
429.34247	1.3
457.30292	0.9
485.29721	3.0
485.36282	2.6
503.31003	6.0
503.37372	69.1
504.37878	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	503.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01863	1.4
55.05498	4.2
57.07052	1.7
59.66774	1.2
67.05511	7.9
67.05801	1.2
69.07051	6.7
70.86207	2.5
79.05489	7.0
81.07037	18.9
83.01341	3.0
83.04968	3.5
83.08604	5.0
91.05470	27.4
92.56899	1.2
93.07027	12.0
95.04951	2.4
95.08603	14.5
97.06477	2.0
103.05459	11.9
105.03394	2.6
105.07028	14.1
107.05019	1.5
107.08584	11.6
109.06507	3.6
109.10133	7.7
111.08089	2.6
117.07005	12.5
119.08572	10.4
121.06466	2.5
121.10143	9.5
121.48014	1.2
123.08056	1.5
123.11713	4.3
125.05933	2.5
128.06145	1.7
129.07010	9.9
131.04912	38.3
131.08559	17.0
133.10126	8.0
135.08022	8.5
135.11668	7.4
137.09528	1.4
138.06757	2.6
139.07542	13.1
141.06978	4.4
143.08566	7.2
145.10095	9.3
147.08067	2.1
147.11687	4.4
149.09599	2.3
149.13235	3.1
151.07550	9.4
153.09084	3.1
155.07097	1.7
155.08510	4.2
157.10117	11.8
159.08020	2.2
159.11740	6.0
161.09575	2.1
161.13245	4.4
163.07532	13.0
163.14847	3.6
165.09117	3.0
167.07036	8.0
167.08437	2.3
169.08606	23.3
169.10100	4.3
171.11665	3.0
173.09601	6.8
173.13263	3.6
175.11191	1.6
175.14830	5.8
177.09027	2.3
178.07799	1.3
179.08545	2.2
179.10654	1.9
181.08592	32.9
181.10059	2.6
183.11688	4.6
185.13255	2.8
187.11195	2.9
187.14799	3.0
189.09122	2.0
189.16414	2.5
191.10692	2.4
193.08633	2.5
193.10234	1.6
195.06477	2.0
195.08534	1.5
195.10162	7.2
195.11723	2.6
197.13196	1.7
199.11029	1.4
203.10660	1.5
203.17874	1.3
207.10121	7.2
207.11745	1.4
209.11534	1.8
209.13318	1.9
211.11195	1.9
215.10622	2.3
221.11566	2.4
223.14732	1.8
227.14285	1.7
239.10661	2.2
241.15843	3.7
257.11673	6.6
261.14752	3.8
271.13190	2.0
305.22531	1.6
317.22559	3.5
325.17914	1.8
331.22766	1.9
335.23752	3.2
343.22989	2.1
359.23605	2.4
371.25864	2.0
381.24078	6.0
399.25323	3.8
429.24094	1.8
447.25003	1.7
485.30511	17.3
503.31488	100.0
503.37018	4.5
504.31641	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3153
Annotation	Nemorosone II
Peak:m/z	Relative Intensity
53.03927	2.3
55.05512	10.7
57.07042	3.0
67.05499	22.4
69.03421	1.9
69.07054	18.4
69.48920	16.3
69.49342	3.7
70.63903	1.9
71.04992	2.8
71.34386	1.9
79.05493	16.5
81.03392	7.1
81.07047	45.4
83.01308	8.1
83.04935	6.2
83.08592	8.0
91.04949	3.3
91.05467	42.3
93.07047	24.5
95.04943	7.4
95.08599	28.8
97.06527	2.8
97.10179	2.4
103.05463	31.1
105.03359	3.8
105.06474	1.8
105.07022	26.4
107.08569	27.9
109.06488	4.7
109.10140	19.9
115.05435	6.1
117.06992	18.5
119.08572	19.0
121.06456	4.3
121.10136	21.1
123.08051	6.4
123.11692	10.5
125.05934	4.0
127.07539	6.2
128.06186	2.7
129.06987	14.4
131.04919	84.6
131.05904	4.3
131.08559	14.5
133.06401	1.9
133.10112	12.3
133.10939	1.8
134.75406	1.8
135.08037	14.3
135.11707	11.7
137.09641	3.9
137.13213	2.7
138.06734	3.4
139.07507	18.7
141.07004	4.5
142.07735	2.7
143.08549	12.1
145.10130	10.4
147.11649	8.6
149.05946	2.7
149.09564	4.6
149.13266	9.0
151.03775	2.7
151.07509	12.3
153.09061	5.9
155.08470	7.3
157.10132	12.9
159.08046	4.4
159.11655	6.0
161.09578	3.4
161.13205	5.7
163.07530	20.0
163.14732	5.6
165.09073	5.8
167.06973	11.3
167.08511	5.3
167.44295	1.9
169.08562	41.1
169.10066	8.7
171.07895	2.3
171.11641	5.2
173.09578	8.1
173.13150	4.4
175.14804	15.1
177.09061	4.8
177.16335	4.2
179.03319	8.2
179.08527	3.1
181.07008	3.9
181.08594	49.3
181.10078	5.9
183.11620	7.0
185.13217	5.2
187.11156	2.8
189.09164	2.2
189.16298	2.2
191.10602	2.5
193.08553	2.4
195.06517	31.9
195.10188	11.6
195.11674	3.8
197.04419	6.7
197.09485	2.5
197.13220	4.3
199.11147	2.1
201.12698	2.6
203.17952	3.7
205.12140	3.1
207.10023	9.8
209.13326	4.5
213.07597	12.1
213.16396	3.8
215.10718	4.7
221.11664	2.0
223.09625	3.4
223.14819	3.0
239.10698	2.9
241.15828	6.0
247.13261	3.9
251.12683	6.2
257.11646	12.3
261.14615	9.5
268.44434	1.9
271.13138	2.5
283.09647	6.1
289.17633	1.9
289.25488	2.2
293.22690	2.9
299.12778	19.9
305.22806	2.3
317.22894	4.3
323.23535	3.1
331.22748	2.0
335.23459	3.2
343.22586	7.7
349.17828	2.6
368.90781	2.1
371.25784	5.7
381.24185	11.3
399.25204	12.7
408.87793	1.9
436.24847	2.8
452.63013	2.2
485.24756	2.5
485.30630	26.6
503.31454	100.0
504.31775	5.1
529.27563	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	503.3154
Annotation	Nemorosone II
Peak:m/z	Relative Intensity
53.03941	3.1
55.05491	10.9
57.07059	2.7
58.64900	2.1
65.03936	3.1
67.05500	27.1
69.03373	2.9
69.07052	17.1
71.46336	5.1
76.53900	2.2
79.05491	18.0
81.03407	6.3
81.07047	40.3
82.98690	2.1
83.01329	13.9
83.04968	3.9
83.08583	9.6
91.05462	48.5
93.07034	26.3
95.04974	5.5
95.08591	39.3
95.23860	2.3
97.10093	4.5
103.05446	11.3
105.03370	9.3
105.06439	3.0
105.07027	33.2
107.08569	23.1
109.10143	17.6
111.08047	4.0
115.05414	6.6
117.07017	11.8
119.08587	18.2
121.06479	5.5
121.10142	20.1
123.08033	6.5
123.11717	12.5
125.09611	3.5
126.37314	2.6
129.06970	18.0
131.04083	3.3
131.04909	32.3
131.07828	2.6
131.08575	27.0
133.10126	13.5
135.08012	8.6
135.11652	14.2
136.30362	2.4
137.05968	2.4
138.06657	3.0
139.07553	17.7
141.06996	4.5
142.07735	4.0
143.08517	9.9
145.10066	10.9
147.11633	8.5
149.09583	5.1
149.13188	5.5
151.07545	12.1
153.05283	2.6
155.08530	9.4
157.10110	15.3
159.11664	8.3
161.13274	4.1
163.07530	19.0
163.14786	6.0
165.09082	2.9
167.07019	16.1
167.08336	3.7
169.08563	31.6
169.10095	8.8
171.11603	6.2
173.09561	5.4
173.13197	6.6
175.11259	3.5
175.14789	14.6
177.09212	2.9
181.08617	44.0
181.10098	4.8
181.39345	2.3
183.11641	5.6
185.13132	3.3
189.16440	3.0
192.09329	2.5
193.10138	3.6
195.06468	8.9
195.10126	5.7
195.11725	4.8
205.08492	3.4
207.10085	7.2
207.11789	5.2
209.13286	3.2
211.11003	3.3
213.07535	3.0
213.16245	5.4
214.09886	4.3
215.10628	6.5
219.10005	3.2
223.11348	3.3
223.14835	2.6
239.10664	4.4
241.16028	2.5
245.73790	2.5
253.12135	3.7
257.11722	14.4
269.11865	4.6
271.13123	6.1
273.14581	2.6
295.13165	3.1
297.14691	3.4
298.11508	4.7
299.06177	3.0
299.12677	11.7
305.22400	4.4
307.12921	3.0
317.17569	2.6
317.22394	7.7
335.23566	6.1
351.19626	2.8
359.23517	7.5
371.25867	3.1
381.24225	20.7
399.25372	21.6
411.23334	2.6
429.24188	3.7
447.25027	10.0
467.29337	4.3
485.30396	51.3
503.31384	100.0
504.31763	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	503.3153
Annotation	Nemorosone II
Peak:m/z	Relative Intensity
53.03920	0.9
55.05503	1.6
57.07067	0.7
61.70728	0.6
64.07330	0.6
65.03927	0.7
67.05503	3.2
69.07067	5.7
71.02414	1.7
75.40560	0.6
79.05511	3.2
81.07051	24.9
81.16468	0.6
83.01335	13.0
83.04968	2.4
83.08595	1.8
89.70573	0.6
91.05476	19.5
93.07035	6.8
95.08598	12.2
97.06528	1.6
97.10134	1.0
99.08054	1.1
105.07022	10.9
107.08591	9.0
109.06508	6.7
109.10153	8.1
111.04415	2.2
115.05468	1.5
117.07011	4.3
119.08583	6.2
121.06505	1.0
121.10135	8.1
123.11697	4.6
123.56710	0.6
125.05991	6.0
127.07546	14.5
128.06198	2.0
129.06985	6.5
131.04897	1.0
131.08565	11.5
133.10117	2.2
135.08063	1.1
135.11699	4.0
137.13254	2.2
139.07555	2.5
141.06987	2.5
143.08562	7.2
145.10132	3.4
147.11700	1.7
149.05968	4.2
149.13280	2.9
151.07541	1.2
152.04671	4.4
153.05504	4.3
153.06728	0.8
155.08556	8.5
157.10071	4.1
159.11668	1.1
161.13257	2.4
163.07539	2.0
163.14793	4.2
165.09085	0.6
167.07011	4.1
167.08461	1.2
169.08588	7.0
169.10124	4.4
171.11703	2.2
173.13220	0.8
175.14821	2.0
177.05475	3.6
177.16422	2.4
180.09282	1.0
181.08563	4.6
181.10132	2.7
183.11679	3.0
185.13251	1.7
186.91451	0.7
187.14867	0.8
189.16632	0.8
193.08569	1.6
193.10156	0.9
195.06523	100.0
195.11668	2.6
196.06877	1.7
197.13338	1.1
201.16348	1.3
203.17918	4.2
209.13222	1.4
211.09566	3.8
211.14795	1.3
213.07579	27.1
223.09723	1.5
223.14821	1.2
225.16432	1.0
237.16415	1.8
239.17914	1.1
257.11649	0.8
293.22595	6.7
295.24094	0.9
299.12766	34.5
300.12924	0.8
303.15875	0.7
305.22739	0.8
317.22665	0.8
485.30457	6.6
503.31583	15.4
504.31833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93233	13.6
71.10408	13.1
71.70983	25.5
73.04764	17.9
110.10495	13.4
128.13275	15.9
132.18246	15.3
139.78911	17.3
299.06015	19.6
368.89423	14.6
503.19916	25.3
503.33234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
54.00893	1.4
55.01846	1.5
55.05501	5.5
57.07063	2.0
67.05496	10.6
69.07072	10.2
70.19581	7.6
79.05482	10.0
81.07046	43.1
81.07501	2.8
81.77892	1.3
83.01329	14.8
83.04962	3.8
83.08609	4.8
85.49274	1.4
91.05467	37.1
93.07026	17.2
95.04947	1.9
95.08593	27.7
97.06506	1.3
99.08064	1.9
99.14749	1.5
105.07014	21.8
107.08594	23.6
109.06495	7.7
109.10149	19.4
111.04412	2.3
115.05441	1.7
117.07004	7.9
117.56790	1.3
119.08578	12.6
121.06465	1.4
121.10131	14.2
122.29550	1.3
122.58337	1.2
123.11694	11.3
125.05965	7.2
127.07544	18.0
128.06224	3.0
129.06972	8.3
131.08577	10.7
133.10138	9.3
135.08075	2.7
135.11659	8.6
137.13222	3.2
139.07535	5.4
141.06975	4.5
143.08542	7.8
145.10106	4.4
147.11679	9.7
149.05968	6.1
149.13220	14.0
151.07526	4.2
152.04669	3.9
153.05467	5.5
155.08551	11.0
157.10097	4.2
159.11713	1.8
161.13280	6.1
163.07547	4.9
163.14827	8.0
167.07104	7.6
167.08372	2.0
169.08591	9.0
169.10121	4.4
171.11707	3.7
175.14819	2.9
177.05484	5.4
177.16394	3.9
181.08621	14.8
181.10110	2.9
183.11714	4.3
185.13245	2.9
187.14830	2.3
189.16335	1.5
191.17902	2.1
193.10139	2.8
195.06508	100.0
195.11646	2.4
197.13283	2.3
201.16457	3.8
203.17969	19.3
205.19559	3.4
209.13245	2.9
211.15018	2.1
213.07581	28.7
215.10873	1.3
223.09590	2.3
225.16345	1.6
233.13264	2.2
237.16412	1.7
243.97504	1.5
261.16379	1.5
271.13324	1.5
293.22672	7.7
295.24313	4.4
299.12741	31.0
301.14453	3.5
305.22711	3.9
311.12875	1.7
317.22635	3.9
347.16226	1.4
485.30429	31.4
503.31546	57.7
504.31503	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57333	0.3
53.00288	1.0
54.48864	0.3
55.01860	0.3
55.05494	0.7
65.03913	1.5
67.05492	1.8
68.99774	0.7
69.03410	0.3
69.07050	0.7
70.88732	0.5
70.89104	0.6
79.05480	1.2
81.03391	0.5
81.07045	2.8
83.04958	0.5
83.08594	0.7
85.22945	0.3
87.61282	0.2
88.98097	0.2
91.05479	1.1
93.03403	0.6
93.07026	1.2
95.04984	0.6
95.08595	1.2
97.02882	0.5
97.06487	0.4
105.07010	1.0
107.04977	0.4
107.08568	1.0
108.04494	0.3
109.06501	0.3
109.10133	1.0
111.00789	0.4
111.04450	1.4
117.06960	0.3
119.08585	0.8
121.02865	1.3
121.06503	0.5
121.10120	0.6
123.04392	2.1
131.08554	0.4
133.06454	0.5
133.10135	0.5
135.04382	0.8
137.05963	0.4
139.03885	100.0
140.04260	1.5
144.52527	0.3
145.06453	0.3
145.10085	0.5
147.04375	0.3
149.05951	0.3
149.09505	0.4
151.03891	7.0
151.11143	0.3
153.05469	0.6
159.04395	0.3
159.11626	0.4
161.13251	0.5
163.03891	4.2
167.05571	0.6
177.05472	0.4
179.06981	0.5
181.04878	0.4
205.04958	1.2
235.13225	0.3
289.03836	0.4
289.07025	7.2
289.10052	0.5
299.06198	0.7
393.24384	0.4
411.25177	0.7
429.26587	0.4
485.28925	0.8
503.29477	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	503.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	3.1
56.92312	0.8
63.83976	0.8
67.05491	1.1
68.05000	1.6
69.03433	1.6
69.07052	2.2
70.06573	2.4
70.96227	0.9
71.02839	0.9
71.71539	0.7
71.71981	1.0
76.75732	1.0
81.07073	0.9
83.06084	1.5
84.04498	55.4
84.08160	1.0
85.02902	2.3
86.06059	20.8
86.09697	100.0
87.10061	1.1
91.05820	2.0
93.07047	1.0
95.04984	1.2
95.06101	2.6
95.08595	1.2
96.04511	2.0
97.02905	1.5
102.05536	0.9
107.71428	0.9
110.06097	1.0
112.07583	1.1
113.05980	1.0
113.45743	0.8
114.05521	12.2
121.06482	0.8
121.10283	0.9
124.11246	0.9
127.03914	1.0
129.06737	1.0
130.04980	14.0
131.04893	1.3
132.10191	30.3
134.09592	1.8
137.05923	4.3
139.03864	5.2
142.04997	12.8
151.03874	2.2
151.12262	8.4
151.13116	0.7
152.10687	16.5
167.05579	2.2
167.08194	2.7
170.11778	7.8
175.07539	1.1
187.07590	1.3
195.07689	3.5
197.12868	11.5
198.11226	24.7
215.13982	1.5
219.09979	1.2
223.07159	5.9
225.12047	1.0
241.08150	7.8
242.06427	1.0
243.13478	3.6
244.11847	2.1
260.16171	1.6
261.14505	5.5
278.13394	0.9
280.16470	1.4
299.06122	2.4
306.08563	0.9
308.16031	8.1
326.17065	24.4
327.15329	1.4
336.15543	2.6
344.97760	1.0
354.16641	10.5
355.15063	1.1
372.17636	26.1
373.16284	2.9
390.18570	1.4
393.01303	1.5
415.04520	1.0
440.51019	0.9
443.13519	1.4
467.25095	1.8
485.26025	44.1
486.24609	3.9
503.07721	2.9
503.20602	2.3
503.27161	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01862	1.6
58.74336	0.6
64.61805	0.6
67.05486	2.3
69.03410	1.7
69.07040	1.5
69.81870	0.6
79.05482	3.0
81.07050	5.1
87.04452	0.8
91.05464	4.1
93.03395	1.0
93.07014	1.9
95.01300	0.9
95.04958	1.6
95.08600	3.3
97.06523	1.1
99.62755	0.6
105.07020	4.4
107.04945	2.1
107.08588	3.1
109.06501	1.4
109.10139	1.8
116.71311	0.8
119.04933	2.3
121.10122	2.5
123.00758	6.3
123.11693	1.8
131.04881	0.8
135.11703	1.6
137.05978	1.2
141.01854	0.8
147.04401	2.2
149.13242	2.8
151.03899	15.8
165.05492	1.6
166.22134	0.7
175.03917	2.6
193.04964	10.7
205.19533	1.6
211.06007	100.0
212.06412	2.5
225.07393	0.9
297.11197	78.0
298.11591	2.2
397.23666	5.1
415.24713	1.4
417.09656	0.8
501.30014	12.2
502.30463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01853	2.6
55.05495	7.8
67.05499	18.6
69.07064	16.7
69.37608	2.1
69.48891	20.5
72.61755	1.9
79.05481	9.4
81.07057	29.0
82.59124	1.9
83.01333	26.5
83.04969	2.8
83.08609	5.4
91.05473	47.2
93.07022	19.4
95.04952	4.9
95.08603	37.1
97.06498	4.7
98.21471	4.7
99.08060	2.3
103.05451	5.0
105.03397	40.1
105.07018	37.0
107.08586	29.3
109.06496	2.6
109.10155	28.9
111.07994	1.9
111.11738	2.7
115.05440	7.0
117.07008	13.8
119.08568	25.1
121.10131	24.9
121.23268	2.3
123.08047	4.2
123.11668	6.9
125.05972	8.0
129.07014	8.4
131.04909	7.4
131.08530	8.7
133.10117	19.4
135.08040	8.5
135.11684	12.5
137.05959	2.9
137.13269	5.1
139.07544	8.0
141.07048	4.2
142.07751	3.1
143.08551	8.1
145.06532	2.5
145.10100	6.7
147.07968	3.6
147.11693	22.3
149.09543	3.0
149.13240	20.3
151.07501	3.4
153.06911	3.2
155.07236	2.2
155.08563	7.3
157.06465	2.3
157.10121	6.8
159.11658	4.7
161.09633	3.4
161.13210	11.5
163.07573	14.0
163.14821	5.1
165.07014	6.4
166.07808	4.8
167.07028	15.6
167.08592	7.7
169.08636	4.9
169.10132	7.4
171.08055	4.0
171.11722	6.8
173.13272	5.5
175.07448	2.2
175.14812	12.5
179.08502	5.1
180.09311	4.3
181.08556	9.8
181.10129	8.5
183.07996	2.6
183.11688	5.2
185.09622	8.1
185.13264	3.4
187.15015	2.9
189.16420	2.1
191.06996	26.9
191.08537	3.7
193.10153	4.2
195.08054	5.0
195.11694	8.1
197.09512	3.1
199.11203	2.8
203.17886	19.7
205.09959	2.5
207.11696	2.9
208.08801	5.3
209.09604	4.5
211.06006	5.8
211.07747	3.4
211.11142	3.7
211.14938	2.5
213.09102	8.2
213.16313	5.0
219.11694	3.3
222.10283	2.9
223.11186	11.4
223.14714	2.4
225.09126	2.2
225.12709	3.0
226.09824	2.5
227.10654	5.2
231.17445	7.4
235.11090	4.6
237.12814	4.4
241.12297	19.4
247.14771	2.3
251.10638	21.6
251.14323	3.7
253.12257	5.5
254.09389	16.7
263.14313	2.6
269.11707	35.7
271.13266	27.9
279.10239	4.9
281.11862	5.1
281.31131	2.2
282.09012	5.0
289.15787	2.3
291.13892	3.5
293.22971	2.2
295.13306	3.9
297.11206	100.0
297.14218	3.4
299.12869	8.1
307.13663	2.2
325.14233	4.1
331.16888	2.5
333.22110	2.8
335.16470	2.3
357.22147	3.5
361.17767	2.4
363.15790	6.3
365.17535	3.7
392.23251	2.4
419.22119	2.3
431.25693	2.8
455.29300	6.1
457.31110	2.7
465.27649	3.6
473.30438	5.8
483.28970	33.2
501.29941	76.2
502.30402	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	501.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40388	0.3
53.03943	0.4
55.01872	2.0
55.05505	0.4
55.81360	0.3
57.41590	0.3
65.03922	0.4
67.01859	0.4
67.05509	1.8
68.99790	0.5
69.03427	1.7
69.07040	1.2
71.63251	0.7
79.05492	2.2
81.07048	4.3
83.01306	0.4
87.04441	1.3
91.05482	5.3
92.57516	0.4
93.03398	0.8
93.07037	2.5
95.01317	0.5
95.04945	2.0
95.08585	1.4
97.06509	0.8
103.05454	0.3
105.07026	3.1
107.04933	1.4
107.08580	2.6
107.65580	0.4
109.06498	1.1
109.10152	1.9
115.03912	0.4
115.32184	0.3
119.04939	2.4
119.08564	0.7
121.06424	0.4
121.10162	1.6
123.00786	7.5
123.04378	0.7
123.11697	3.2
127.03979	0.3
131.04991	0.4
135.11658	0.8
137.05956	1.5
141.01802	1.2
147.04401	2.6
147.11678	0.7
149.13245	4.6
151.03894	16.9
159.74658	0.3
161.13229	0.6
163.14775	0.4
165.05432	1.5
165.12717	0.3
175.03879	4.6
183.06516	0.4
193.04944	14.8
195.06502	1.1
205.19554	0.4
211.06003	100.0
212.06332	1.3
226.81209	0.4
234.07559	0.8
239.37914	0.4
269.11841	0.3
277.54672	0.3
297.11197	88.3
298.11578	2.5
313.27155	0.4
379.18988	0.8
397.23679	1.1
453.09204	0.4
501.29962	15.0
502.30099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.5
55.05514	1.9
56.04472	1.3
67.05496	2.9
67.80227	1.3
69.07041	2.0
71.71833	1.7
75.61779	1.4
79.05489	4.5
79.41750	1.4
81.07038	9.0
83.01327	2.5
91.05481	9.8
93.07047	3.4
95.04993	1.5
95.08597	3.5
104.42659	1.4
105.07044	7.9
107.04836	1.6
107.08590	4.3
109.06544	2.0
109.10165	2.8
119.04935	2.0
119.08555	2.7
121.10145	3.5
123.00795	4.3
123.04436	1.6
123.11677	4.6
131.04868	1.9
133.10118	2.2
147.11664	2.4
149.13222	4.6
151.03879	16.9
175.03899	4.9
193.04945	12.0
195.06500	8.8
203.17969	2.3
211.05994	100.0
212.06438	1.9
213.07468	4.3
291.21051	3.5
297.11188	75.3
299.12753	5.9
359.23502	2.1
446.68863	1.9
483.28876	3.9
501.29935	32.4
501.36490	2.2
527.91553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.05506	12.2
57.07066	3.4
58.30771	1.7
64.93993	1.7
66.16114	1.6
67.05500	13.8
69.03431	1.8
69.07059	12.1
71.17392	4.0
74.04047	1.6
75.63889	1.5
75.73897	1.5
79.05491	13.1
81.07054	28.5
83.01338	22.4
83.08609	5.2
83.36030	1.9
87.94820	1.6
91.05469	34.9
91.82710	1.7
93.07036	21.4
95.04961	8.1
95.08591	28.9
97.06521	4.8
97.30457	1.6
103.05474	7.4
105.03389	40.6
105.07024	26.8
107.04972	1.8
107.08594	20.9
109.06519	2.0
109.10138	16.7
113.73203	2.1
115.05422	3.2
117.07041	10.9
119.08590	15.2
121.06510	2.7
121.10133	13.8
123.08080	2.2
123.11712	4.0
125.05991	5.9
127.07570	1.9
128.06229	3.6
129.07010	8.9
130.07719	1.6
131.04929	9.5
131.08545	8.9
133.10129	10.8
135.08034	6.0
135.11674	6.8
137.13255	3.0
139.07501	5.9
141.06960	3.9
142.07811	2.5
143.08508	8.2
145.06502	5.2
145.10126	6.2
147.08011	1.8
147.11673	14.9
149.09598	2.6
149.13260	6.5
151.07542	3.2
151.14844	1.7
153.07043	2.5
155.07309	1.9
155.08551	6.8
157.06418	2.0
157.10130	7.5
159.11722	3.9
161.13211	6.3
163.07526	15.4
163.14835	2.9
165.06961	5.9
166.07736	5.1
167.07031	11.1
167.08551	6.9
169.08662	3.2
169.10107	5.4
171.08044	3.8
171.11694	6.1
173.13342	2.2
175.07576	2.6
175.14798	6.5
178.07753	2.4
179.07088	1.9
179.08549	5.8
180.09317	4.5
181.08548	4.9
181.10149	4.9
185.09593	8.8
191.07025	30.9
191.08682	2.2
193.10139	4.0
195.06499	5.5
195.08080	3.2
195.11713	6.6
197.09721	2.8
197.13188	2.0
199.07523	3.0
199.11078	2.3
203.17891	12.0
204.09361	2.2
207.11708	3.8
208.08809	5.1
209.09634	3.8
210.10162	2.5
213.07446	2.0
213.09189	5.2
213.12755	4.0
213.16406	2.8
218.10730	2.0
221.13223	2.5
223.11137	9.6
225.09128	3.6
227.10684	6.7
231.17416	5.4
235.11243	3.5
237.09196	2.0
237.12782	2.2
241.12256	21.7
245.13339	3.2
249.12811	3.6
251.10631	23.6
251.13428	2.0
251.14273	2.2
253.12378	2.8
254.09377	17.4
258.71713	2.1
259.14844	2.7
261.16238	2.1
265.12396	2.1
269.11682	47.0
270.12125	2.6
270.17307	2.1
271.13226	13.9
277.12207	2.3
279.10110	5.3
281.11609	2.5
282.08896	4.4
291.21274	2.8
297.11191	100.0
298.11377	2.6
299.12909	3.0
329.22723	2.9
347.16406	2.2
351.15805	3.1
357.22153	7.0
363.15677	2.6
379.22363	2.0
401.20914	2.4
419.22119	6.5
427.22635	2.2
439.06635	1.9
455.29425	3.9
465.28305	2.3
473.30899	3.4
483.28897	25.1
501.29810	35.7
501.36365	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	501.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01880	2.5
55.05485	0.6
67.05467	2.1
68.99769	0.9
69.03394	1.8
69.07041	1.5
71.70653	0.7
74.59759	0.4
79.05489	3.6
81.07043	3.8
83.04964	0.5
87.04438	1.4
91.04946	0.6
91.05467	5.1
93.03381	0.7
93.07011	1.2
95.04932	1.7
95.08563	1.7
97.06530	0.9
103.05412	0.6
105.07021	2.5
107.04960	2.4
107.08579	1.5
109.06461	1.8
109.10126	1.6
119.04928	3.3
121.10101	1.5
123.00779	7.5
123.04427	1.2
123.11654	1.4
125.05977	0.7
131.04918	1.0
135.11667	0.8
137.05945	1.4
141.01817	1.3
147.04387	2.7
147.11681	0.7
149.13184	1.7
151.03911	18.7
152.04230	0.6
165.05424	2.1
175.03889	4.6
182.81978	0.4
183.06508	0.9
193.04942	13.8
194.05240	0.7
205.19493	0.6
211.06007	100.0
212.06374	2.1
217.19586	0.6
227.32906	0.6
234.07607	0.5
297.11200	92.4
298.11545	2.6
397.23621	1.8
415.24768	0.7
501.29993	19.5
501.46701	0.7
502.30478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.05496	6.9
67.05508	11.0
69.07072	7.1
70.97497	2.6
70.97868	3.0
79.05489	9.2
81.07051	26.2
83.01328	22.5
83.04990	3.0
83.08601	3.6
91.05466	28.3
93.07029	17.5
95.04958	4.9
95.08593	26.2
97.10146	1.6
98.20794	2.0
103.05440	2.8
105.02686	1.9
105.03381	32.9
105.07018	43.8
107.08587	22.4
109.06482	3.2
109.10135	17.9
111.08071	1.4
115.05454	2.6
116.58463	1.5
117.07029	8.3
119.08566	35.1
119.09406	2.0
121.06474	3.7
121.10118	12.1
123.08111	2.4
123.11701	5.9
125.05985	5.4
127.07516	4.5
128.06123	1.5
129.06996	8.1
131.04922	4.3
131.08548	9.0
133.10107	16.5
135.08054	6.2
135.11638	2.7
139.07545	5.2
141.06984	4.6
142.07784	2.4
143.08524	8.3
145.06499	4.0
145.10164	7.9
147.11665	57.6
149.05981	3.3
149.13255	4.5
151.07545	2.3
153.06950	1.6
155.08556	5.5
157.10094	5.9
159.11639	4.1
161.13272	9.1
163.07495	10.7
163.14801	4.8
165.07025	5.4
166.07745	2.8
167.07024	10.6
167.08521	5.3
169.08659	3.6
169.10147	4.7
171.11699	5.8
175.14844	4.4
177.05536	2.0
179.08571	2.9
180.09357	4.7
181.08580	8.0
181.10110	6.5
183.11734	3.7
185.09615	7.3
187.14851	2.4
189.16354	2.7
191.07002	23.5
191.08527	2.9
195.06538	26.3
195.08122	2.7
195.11708	5.5
197.13232	2.0
199.11168	2.0
201.16434	3.5
203.17938	66.5
206.10892	1.7
207.06465	2.0
208.08810	4.3
209.13245	2.0
213.07521	8.2
213.09219	4.1
213.12668	2.4
223.11163	7.3
225.09152	1.5
227.10748	6.0
231.17415	40.7
231.19728	2.0
235.11206	2.4
237.16293	3.4
241.12173	16.8
251.10617	17.6
254.09360	15.0
269.11697	47.1
271.13202	14.3
279.10159	4.4
281.11615	1.9
282.08902	3.0
291.20996	4.9
293.22635	21.7
297.11200	100.0
298.11514	2.0
299.12796	14.5
309.15063	2.1
315.21088	2.1
333.22177	3.2
335.75903	1.7
398.14777	1.5
431.25204	1.7
483.28952	18.8
501.29901	53.1
501.35947	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	501.2995
Annotation	Plukenetione F
Peak:m/z	Relative Intensity
55.05512	5.5
59.07822	1.0
66.15621	1.1
67.05496	8.4
69.07058	8.9
70.66827	2.4
70.67196	2.5
79.05491	7.2
81.07046	15.7
83.01335	15.6
83.07984	1.1
83.08617	3.8
91.05466	22.1
93.07027	9.9
95.04951	4.2
95.08598	18.5
97.06551	3.5
97.10145	1.4
101.30138	1.1
103.05452	3.2
105.03384	35.8
105.04448	1.5
105.07024	19.0
107.08580	13.9
109.10137	13.5
115.05457	2.1
117.07006	6.2
119.08572	14.0
121.10122	8.5
123.08018	1.7
123.11677	4.3
125.05968	5.1
125.30656	1.3
128.06215	1.6
129.07005	4.5
131.04912	4.1
131.08566	3.3
133.10123	10.0
135.08047	4.5
135.11681	3.5
137.13249	1.8
139.07501	3.7
141.06964	5.1
142.07689	1.5
143.08580	4.1
145.06470	3.4
145.10092	5.6
147.11664	11.5
149.05988	2.4
149.13219	5.7
151.07614	1.3
153.06976	2.3
155.08492	3.1
157.06477	1.6
157.10107	5.2
159.11732	1.8
161.13261	4.6
163.07542	8.8
165.07004	2.9
166.07790	2.1
167.07024	6.6
167.08531	3.7
169.08621	1.9
169.10104	2.7
171.08066	3.0
171.11700	3.8
173.09752	1.3
175.14917	5.4
178.07764	1.2
179.08534	2.2
180.09332	4.2
181.08630	2.5
181.10123	5.7
183.07944	1.3
185.09595	8.4
185.13235	2.1
189.16417	1.9
191.07005	29.2
192.09265	2.0
193.10132	1.9
195.06404	1.1
195.08107	2.6
195.11671	5.7
197.13364	1.2
198.10458	1.4
199.07552	3.3
199.11214	1.6
199.20239	1.1
201.16528	1.5
203.17917	8.7
205.10175	1.5
207.11671	2.7
208.08792	4.5
209.09579	4.0
211.07430	1.3
213.09122	5.9
213.12732	3.3
213.16344	2.3
220.08775	1.4
223.11145	10.3
225.09212	1.9
225.12743	2.1
226.09927	1.7
227.10626	6.3
231.17345	6.6
235.11205	2.1
236.08504	1.2
237.09207	1.9
241.12215	18.0
247.11154	1.5
249.12697	1.8
251.10638	22.0
253.08665	1.5
254.09306	19.4
265.12244	1.3
269.11700	44.1
270.12009	1.4
271.13254	11.4
275.14548	1.1
279.10190	6.0
279.12979	1.1
282.08887	4.0
293.22446	1.7
297.11185	100.0
298.11536	4.2
333.14966	1.3
335.16290	1.7
357.22162	3.8
363.15683	1.3
413.24738	1.4
455.29391	3.8
483.29086	10.5
501.29922	20.8
502.30338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11779	2.8
53.03939	5.0
55.05496	13.8
57.07066	4.0
61.01380	3.2
65.03926	4.0
67.05503	24.5
69.03420	3.5
69.07055	21.7
69.51737	26.6
69.52148	4.3
78.65653	3.1
79.05483	19.3
81.06569	3.7
81.07042	64.9
83.01332	49.3
83.04983	5.7
83.08605	5.5
91.04931	5.7
91.05476	83.8
93.07043	31.3
95.04971	7.0
95.08597	53.1
97.06510	10.6
103.05489	6.9
105.03391	35.9
105.07014	40.6
107.08595	37.9
109.06507	13.3
109.10133	25.9
111.04411	3.8
111.08110	3.8
115.05445	5.2
117.06995	23.8
119.08556	32.9
121.06521	4.1
121.10134	28.9
123.08040	4.6
123.11710	13.1
125.05992	14.3
127.07570	15.5
129.07001	16.1
131.04893	10.0
131.08516	18.6
133.10086	16.6
135.08046	9.2
135.11664	20.1
137.13225	8.3
139.07503	11.9
141.06969	13.2
142.07809	4.4
143.08539	14.4
145.06503	6.4
145.10098	14.8
145.11108	3.2
147.11681	19.1
148.17715	3.3
149.05957	4.5
149.13272	20.2
153.05432	4.7
153.06885	3.5
155.07196	5.8
155.08562	15.9
157.06441	3.5
157.10118	14.8
159.11684	9.1
161.13208	9.3
163.07585	17.2
163.14833	3.4
165.07037	7.3
167.07013	22.5
167.08528	12.6
169.08578	12.8
169.10149	11.1
171.08089	4.3
171.11632	9.5
173.13235	5.5
175.14828	9.1
177.05522	4.5
179.08572	5.2
180.09264	9.1
181.08611	15.5
181.10104	11.7
183.11693	9.7
185.09631	9.7
185.13184	3.6
191.07018	20.3
191.08496	4.1
192.09372	4.6
193.10170	5.8
195.06519	73.3
195.08145	8.0
195.11670	14.6
197.09677	7.0
197.13286	4.2
201.16342	4.5
203.17949	11.9
205.10100	3.9
206.10847	3.8
207.11746	7.5
209.09642	6.7
211.07678	3.7
211.09531	4.8
213.07474	22.8
213.09235	4.7
213.12660	3.6
223.11194	11.9
225.09029	7.4
225.12683	3.7
227.10643	6.1
231.11769	4.1
231.17329	6.8
233.13225	7.9
235.11105	4.6
235.14825	7.0
241.12274	17.2
245.13300	3.3
247.11137	4.0
251.10721	16.6
251.14288	8.7
251.17967	4.6
253.12161	8.7
254.09343	11.6
261.12622	5.0
269.11609	25.3
271.13297	24.2
279.10175	3.9
281.11639	6.2
291.20938	18.9
293.15390	4.2
293.30762	3.7
295.13123	5.0
297.11188	47.7
299.12787	12.6
309.14502	4.0
323.16553	4.2
327.19638	4.8
333.21906	4.8
351.15878	5.6
357.21967	9.2
363.15915	5.2
365.17044	4.3
375.23169	5.3
395.25665	7.3
413.25018	4.7
419.22244	17.5
437.28363	3.4
442.62106	3.7
473.30576	7.3
483.28882	42.4
501.23199	6.5
501.30002	100.0
502.30502	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	501.2995
Annotation	Plukenetione F
Peak:m/z	Relative Intensity
55.05507	14.8
58.87284	2.7
67.05498	19.3
69.03443	3.8
69.07069	25.5
69.41013	36.7
79.05500	18.7
81.07044	35.9
83.01324	27.4
83.04993	3.5
83.08607	9.1
91.05470	60.1
93.07040	26.4
95.04966	6.9
95.08603	59.1
97.06548	6.4
103.05457	6.2
105.03387	38.2
105.07020	48.6
107.08600	35.9
109.06495	3.8
109.10138	36.3
111.11701	5.2
115.05459	5.1
117.07024	16.6
119.08585	26.1
121.06448	4.4
121.10143	25.2
123.11681	12.5
129.07002	12.1
131.04939	7.2
131.08582	8.4
133.10092	26.6
135.08011	5.2
135.11685	13.9
137.13217	8.5
138.10298	3.0
139.07555	6.1
141.07002	4.6
143.08528	11.6
145.06479	4.3
145.10097	9.8
147.11656	21.9
149.13251	30.9
151.07568	5.7
151.10367	2.8
153.05623	2.8
153.07005	3.4
155.08574	7.8
157.10112	7.4
159.11630	4.4
161.13251	13.1
163.07535	13.5
163.14799	5.4
165.07039	10.0
165.09152	3.4
167.07036	22.7
167.08443	5.7
169.08591	4.2
169.10077	6.9
171.08066	7.3
171.11694	7.6
173.13277	7.8
175.14783	16.6
177.16284	4.9
179.08582	6.8
180.09363	7.1
181.08594	9.2
181.10048	5.5
183.11694	4.5
185.09639	8.4
191.07030	20.2
191.08577	4.3
193.10118	6.4
195.06555	11.2
195.11717	11.2
197.09633	3.9
197.13223	3.4
203.17955	26.5
205.19530	5.9
207.11661	5.2
209.09688	6.2
211.11293	4.0
213.09264	6.5
213.16374	4.9
219.11731	6.0
220.08955	3.5
221.13246	6.4
223.11282	8.9
225.09067	6.2
231.11775	4.4
231.17517	6.7
233.09621	3.4
233.13239	5.2
238.09914	4.3
241.12241	9.0
245.13271	5.5
251.10736	16.0
251.14282	3.7
253.12305	5.6
254.09367	13.3
269.11642	38.7
271.13321	40.9
279.10187	4.7
281.11877	3.6
293.15207	3.1
295.13293	4.4
297.11191	65.6
298.11581	4.0
299.12619	14.8
323.16464	4.1
325.14377	6.8
335.16635	4.0
339.16544	3.7
347.16217	3.5
352.15924	3.8
357.22260	7.2
363.15952	8.7
405.20364	3.6
413.24872	3.9
419.22604	5.5
455.29410	10.4
465.28046	3.8
473.30484	11.5
478.71176	3.3
483.28885	53.3
501.29944	100.0
502.30386	4.8
519.85327	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	501.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33860	0.3
53.00281	0.6
55.01842	0.4
55.05492	0.7
59.42839	0.3
61.04868	0.3
65.03923	1.6
67.05489	0.9
67.47089	0.3
68.99780	0.6
69.03397	0.5
69.07043	0.7
71.71936	0.4
79.05468	1.1
81.07039	1.5
83.04952	0.7
83.08591	0.4
85.06531	9.0
85.07042	0.5
90.74644	0.4
91.05464	1.1
93.03374	0.4
93.07037	1.9
95.04934	0.6
95.08582	0.5
97.06512	3.1
97.10156	0.4
105.07005	1.0
107.04946	0.4
107.08588	1.2
109.10155	0.5
111.00780	1.0
111.04463	1.7
117.07019	0.5
119.08572	0.9
121.02843	1.3
121.10116	3.1
123.04443	1.8
123.08043	0.4
127.03893	0.9
131.08578	0.5
135.04411	0.7
137.05954	0.4
139.03882	100.0
140.04214	0.6
147.04324	0.4
147.11688	0.3
149.05949	0.4
149.13213	1.7
151.03880	6.3
153.05415	0.3
155.04887	0.3
159.11655	1.0
161.05977	0.6
163.03880	6.2
163.11162	0.4
167.14259	0.5
171.07990	0.4
177.05440	1.5
177.12668	1.8
179.07050	1.2
181.04903	0.4
189.05472	0.3
189.11023	0.4
195.13783	6.0
199.97110	0.3
205.04950	2.6
213.14786	1.8
223.34380	0.3
251.09235	0.5
257.15323	0.3
289.07031	16.2
301.07138	0.3
315.15625	0.3
333.16885	0.4
409.23660	0.7
496.43387	0.3
501.17038	0.6
501.28458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01860	2.8
55.05494	1.2
57.03426	2.8
59.05000	1.2
61.02909	4.6
61.16970	1.0
64.70734	1.2
67.05479	2.7
69.03413	14.7
69.07030	1.3
71.04988	1.5
73.02908	2.2
77.02460	1.3
79.05479	4.4
81.03406	6.4
81.07053	2.7
85.02400	1.8
85.02895	33.7
87.04459	2.0
91.03940	1.4
91.05458	4.2
95.04962	1.8
95.08604	2.5
97.02885	13.1
99.04453	3.1
103.05415	1.2
105.07024	2.2
107.04948	3.8
107.08527	1.7
109.02861	3.7
109.10109	1.9
110.03564	1.1
111.04443	2.1
115.05452	2.7
119.08518	1.5
121.06452	1.8
125.05936	2.3
125.09633	1.3
127.03892	6.7
128.06264	2.4
129.07001	7.0
131.08548	1.5
133.06512	6.1
137.05945	4.4
139.03868	11.2
141.07022	2.0
143.04912	2.3
145.04851	2.5
145.06537	2.6
147.04431	1.9
147.07986	1.4
153.05423	3.3
153.06973	1.3
157.06505	5.7
157.10110	5.7
161.05951	2.5
163.07529	1.5
165.06996	1.8
167.07027	3.9
169.06406	2.4
171.08086	2.6
175.07494	1.8
176.06215	1.5
178.07767	2.0
179.08559	2.1
181.06378	2.1
183.08093	2.3
185.09598	9.4
189.07019	2.2
190.07709	2.1
191.08508	1.8
193.06358	2.3
193.08641	1.3
194.07306	1.2
195.08049	2.2
202.07759	1.9
203.08531	1.5
204.09288	1.8
205.06442	7.1
205.10052	2.3
206.07095	1.4
207.08066	2.5
207.10092	1.8
209.09555	2.3
211.07515	2.1
218.07219	4.0
219.07997	8.5
219.11623	3.2
220.08775	2.1
221.05991	2.4
221.09584	2.0
222.06744	2.4
223.07520	4.8
225.09006	1.9
227.07039	1.8
229.10022	4.2
231.08034	3.0
232.08794	5.5
233.05948	5.3
233.09630	3.1
234.06793	2.5
235.07500	4.2
236.08224	2.1
237.09015	8.2
239.07048	1.7
245.09552	1.7
246.06790	2.1
246.10590	1.6
247.07526	8.5
247.11139	13.0
248.11801	1.2
249.09091	3.2
250.06177	3.9
250.09894	1.8
251.07068	7.2
251.10751	2.8
253.08556	3.5
257.09851	1.5
259.07440	2.0
260.08337	3.0
261.09021	8.4
263.07034	2.7
263.10742	1.9
264.07883	3.2
264.11496	3.6
265.08624	20.7
265.11905	2.9
266.09332	2.1
268.07318	1.7
271.09692	1.6
274.09610	1.2
275.10599	18.5
276.11365	4.4
277.08606	7.6
278.09335	5.4
279.10190	4.8
279.13766	8.7
282.08536	1.3
283.09683	6.5
289.12347	5.0
292.10947	3.9
297.11176	3.0
307.09686	2.3
307.13239	47.7
308.13724	1.8
324.13388	1.8
339.15875	100.0
340.16220	3.7
409.23648	1.7
427.24905	1.4
483.26489	1.4
501.28174	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	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74847	2.0
53.03942	7.4
53.15785	2.3
54.66921	1.9
55.00121	1.9
55.01860	8.0
55.05509	35.1
56.48453	1.8
57.03434	29.0
57.07072	7.1
61.02925	64.8
65.03953	2.7
67.05140	4.6
67.05499	83.6
67.13771	2.1
69.03426	40.2
69.07066	39.8
71.01344	6.1
71.04987	8.3
71.08617	4.9
73.02914	31.0
78.63070	1.9
79.05490	30.1
81.03413	23.1
81.07053	100.0
81.49895	2.0
83.04972	8.6
83.08623	23.9
85.02902	66.7
85.06535	4.3
87.04478	3.7
91.03951	39.6
91.05481	23.7
93.07034	37.2
95.04963	8.5
95.08009	4.7
95.08600	73.3
97.02885	56.5
97.06530	7.6
97.10156	15.6
99.04467	12.0
99.08089	3.9
101.02387	12.9
102.39883	2.1
103.03933	10.0
105.07019	20.9
107.04977	3.0
107.07895	3.2
107.08578	21.6
109.02855	10.1
109.10149	33.7
111.04465	3.9
111.08072	6.3
111.11738	3.4
115.03935	5.8
117.05498	4.1
117.07037	4.7
119.08572	17.5
121.10109	18.6
123.08053	2.2
123.11691	15.7
125.09648	4.8
127.03928	19.5
129.05469	7.8
129.06973	3.4
131.08556	9.6
133.10123	14.1
135.11687	13.5
137.09621	4.4
137.13271	6.6
139.11240	2.5
143.08551	2.0
145.04936	10.0
145.10138	6.6
147.11685	15.1
149.09688	2.3
149.13266	9.3
151.14833	4.4
153.12730	2.7
155.14261	2.0
157.51160	2.7
159.11661	4.1
161.13231	10.3
163.14795	9.6
173.13318	3.5
175.14798	7.2
177.16438	3.0
179.14394	2.3
183.06554	7.3
187.14824	4.1
189.16277	2.4
193.15848	2.5
201.07507	4.0
245.22766	10.4
261.22159	3.5
263.23685	24.6
270.17810	2.8
292.25537	2.4
293.24844	2.5
303.22992	2.8
305.24567	2.8
317.24692	3.7
329.24701	4.5
335.25519	3.1
337.27353	90.2
338.27628	2.8
343.26111	2.4
365.26807	6.9
371.25641	8.0
421.29395	3.1
439.82794	2.1
445.29605	4.3
463.30203	3.5
464.30768	3.5
481.31546	5.0
499.32663	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	499.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.9
57.41714	4.6
65.55108	4.3
67.05481	19.8
69.03403	7.5
69.07061	12.3
70.34608	19.9
78.71272	4.4
79.05470	19.7
81.03428	4.7
81.07064	31.1
83.01346	24.0
83.05015	5.2
83.08643	6.6
91.05476	32.5
93.07033	19.6
95.04985	6.8
95.08584	27.7
97.53096	4.6
99.73414	4.8
103.05457	9.7
105.03384	50.3
105.07029	27.6
107.08569	20.2
109.10137	17.0
115.05446	5.0
117.06958	14.1
119.08569	22.1
121.06496	5.2
121.10133	22.7
129.07004	11.0
131.08554	15.3
133.10107	18.3
135.07993	7.4
135.11673	5.8
143.08554	11.8
145.09122	4.9
145.10124	21.4
147.11655	16.4
149.05864	6.8
149.13251	6.5
155.08562	9.3
157.10178	7.4
159.11659	23.1
163.07590	11.6
165.07001	7.7
167.07108	8.7
167.08528	11.1
169.10135	5.9
171.11650	5.2
173.13289	11.0
175.14809	13.1
180.09341	4.9
181.10101	8.3
182.11189	5.4
185.09595	11.2
191.07039	22.1
195.11682	6.2
201.16367	31.4
203.17992	6.3
223.11215	9.4
227.10669	5.1
229.15849	10.0
241.12219	34.2
251.10594	18.0
254.09387	15.4
269.11743	47.0
271.13098	6.5
279.10422	5.9
284.76819	4.8
289.62369	5.0
297.11224	100.0
313.19565	6.8
355.21045	6.1
410.79758	5.0
436.63589	4.8
439.73322	4.9
464.31058	7.4
471.28751	8.3
481.27805	32.0
499.28378	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	498.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08838	1.9
55.05495	3.2
57.07068	34.5
65.93817	1.6
67.05515	2.3
67.48612	1.6
69.07096	2.6
71.08624	23.3
71.72827	3.6
73.06557	7.4
83.72504	1.7
85.10173	18.7
87.04476	4.2
89.06022	100.0
97.10150	3.0
99.11744	3.7
107.07046	4.2
113.13289	2.9
117.09109	2.7
130.08638	4.3
131.07039	2.1
133.08583	45.8
155.17873	3.3
169.00723	1.7
172.96970	1.9
177.11212	19.0
178.54050	1.9
199.20534	3.2
239.14877	3.1
243.23161	7.2
283.17438	3.1
287.25760	4.8
327.20050	11.4
481.37445	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	499.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
136.93976	1.0
250.08208	0.7
268.98230	100.0
279.66638	0.7
339.41968	0.8
499.15955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	2.6
70.86166	2.0
70.95846	4.9
71.71000	3.9
72.93781	7.1
77.49416	2.0
77.78793	1.8
81.78197	2.1
83.04967	4.0
85.02879	3.3
88.96884	3.3
90.94798	2.9
93.07019	2.5
95.04971	2.7
97.02848	2.2
105.07025	6.0
107.08508	2.1
119.08570	2.5
132.95766	2.3
137.05968	4.2
138.06293	3.8
139.03883	12.9
150.96925	2.5
151.03835	3.0
153.01820	14.8
155.08492	2.7
156.09331	5.7
157.10095	3.4
159.07916	2.7
163.03914	4.8
166.04944	5.6
171.11658	4.0
172.98969	2.4
174.96964	3.1
180.06590	2.4
180.99411	3.6
184.99046	3.8
192.99469	3.1
199.11180	2.7
200.02773	3.7
203.01614	2.1
207.01022	4.2
213.03673	3.9
215.05231	4.6
217.06740	16.2
220.98877	2.4
227.05243	2.8
235.00584	2.5
235.04080	2.4
243.04659	4.6
245.06400	2.9
259.04401	3.2
275.07272	16.0
283.10770	4.4
287.05481	4.5
293.08316	53.8
301.11826	11.8
307.06207	6.8
316.10016	3.0
319.06314	3.0
319.12820	14.5
337.07358	28.2
360.08832	3.2
379.08334	100.0
391.08420	15.8
408.11255	2.2
427.29813	2.0
433.08716	2.3
499.12286	11.6
515.45172	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	499.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
57.49215	0.6
61.02911	1.3
65.03925	1.9
69.03415	1.6
69.86897	4.5
70.06590	0.9
77.69969	0.6
79.05500	0.8
81.03394	1.0
81.07034	0.8
82.06573	0.9
85.02902	5.1
88.45244	0.7
91.05460	1.0
92.04969	1.2
92.12749	0.7
96.08119	2.6
97.02876	2.3
98.20826	0.8
106.06567	0.9
109.02847	0.8
110.05944	0.8
110.07153	1.0
123.04424	0.7
124.07586	7.3
126.09142	7.0
127.03898	1.2
137.02350	0.7
138.05467	1.2
138.09161	1.5
139.03888	7.8
140.04198	1.6
147.04355	0.7
148.03995	0.8
150.05476	1.2
151.03908	1.0
152.03380	3.8
152.07013	3.2
153.01808	4.4
163.03880	2.4
166.04987	25.0
168.06581	3.0
172.02994	0.8
175.05063	1.3
176.03432	3.9
178.04993	2.0
180.06523	2.8
182.04448	2.7
184.09930	0.9
192.06464	0.8
193.06149	1.0
194.04520	4.5
198.07927	2.1
199.08665	2.8
205.04901	1.0
208.23581	0.7
209.10680	1.1
210.11400	0.6
211.08829	0.9
211.12296	1.9
212.09422	2.5
213.06467	0.8
226.11002	1.8
227.08139	2.1
227.11792	5.4
229.13348	1.5
233.09200	2.2
236.09351	1.2
237.10280	3.3
239.11761	0.9
240.08923	1.6
242.10443	0.7
244.08403	10.6
245.09143	1.9
246.16228	0.7
252.08852	1.0
253.09538	1.6
255.11153	5.1
257.13019	0.8
265.09647	6.1
270.09973	0.9
271.10632	2.1
272.11636	1.6
273.12311	5.6
283.10764	27.1
289.06818	0.7
289.11768	2.2
301.11798	58.1
302.12012	1.3
319.12854	100.0
320.13181	2.5
330.09723	1.6
337.04672	2.0
481.18027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.3
57.03423	7.9
57.84065	2.0
63.37008	1.9
67.05497	36.4
69.07059	12.0
71.04989	4.6
71.08629	2.3
71.71616	3.4
79.05487	23.5
81.07056	54.3
81.07547	2.8
81.31515	1.9
83.04961	3.5
83.08615	17.1
90.56182	1.9
91.05464	16.6
91.51035	2.1
93.07037	34.1
95.08610	11.0
97.06512	9.2
105.07025	5.7
107.08577	21.9
110.52687	2.0
111.08047	2.4
112.51968	2.4
112.75184	2.5
117.06990	10.5
121.06480	2.3
121.10113	9.8
122.32776	2.2
123.11693	3.2
131.08559	4.2
133.10126	12.4
135.11676	7.3
149.13219	14.9
159.11707	6.1
176.66533	2.2
177.12718	3.7
195.13809	17.5
213.14777	2.7
269.17456	100.0
412.86371	2.3
463.30515	62.5
498.17627	3.4
498.37402	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	498.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.05513	9.5
57.03434	7.4
57.07050	1.9
59.04965	2.2
67.05499	48.6
69.07066	14.3
69.59663	15.2
71.04978	2.3
79.05486	26.2
79.65012	1.7
81.03406	3.0
81.07053	60.1
83.04954	4.2
83.08605	14.7
85.06546	3.9
87.09962	1.5
91.05472	22.9
92.87918	1.6
93.07039	42.7
95.04953	6.2
95.08590	19.8
97.06530	8.9
97.10161	1.8
103.56322	1.7
105.07026	12.5
106.17303	1.7
107.08584	25.4
109.06476	3.1
109.10152	5.9
111.08085	5.5
117.07014	11.7
119.04926	1.8
119.08565	5.8
119.55699	1.5
121.06490	2.1
121.10145	15.4
123.11697	3.0
129.07014	3.7
131.08553	11.5
133.10149	13.2
135.08063	1.8
135.11658	7.8
143.08595	4.5
145.10123	3.7
147.11674	2.3
149.13245	15.8
151.11078	2.6
157.10178	2.2
159.11671	11.7
177.12743	5.5
195.13814	12.7
213.14969	2.1
214.51141	1.8
251.16302	2.4
268.26932	1.7
269.17465	64.7
323.42612	2.0
353.24725	3.6
371.25607	4.0
389.27042	2.2
445.29572	13.0
450.73630	1.9
463.30530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09508	1.2
53.03948	2.4
55.01875	1.7
55.05509	11.9
56.38931	1.1
57.03434	12.7
57.07071	2.9
65.03931	1.5
67.05499	53.9
69.03443	1.7
69.07057	18.7
69.35448	1.2
69.49210	12.4
71.04986	4.2
79.05489	30.8
81.03411	1.9
81.07049	67.7
83.04971	5.3
83.08619	10.8
85.06528	4.2
86.09689	1.6
88.10344	1.2
91.05466	17.4
93.07037	52.8
95.04955	3.9
95.08600	17.7
97.06504	8.7
97.13022	1.1
99.08099	2.7
104.10750	2.7
105.07014	7.6
107.08585	25.5
109.06496	1.4
109.10143	3.1
111.08095	6.7
111.11752	1.2
115.50044	1.1
117.07001	6.1
119.08551	2.0
121.06490	3.0
121.10149	13.7
123.11680	2.8
131.08566	7.8
133.10120	10.7
135.08015	1.8
135.11714	7.4
149.13245	27.8
151.11182	2.5
155.08603	1.3
159.11693	11.6
167.17656	1.3
177.12784	4.6
180.78296	1.4
184.07382	2.7
194.02795	1.2
195.13786	17.6
213.14868	2.2
269.17462	100.0
270.17697	3.4
463.30496	98.1
464.30978	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	498.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68253	2.0
53.03936	2.9
55.05509	10.6
57.03434	14.8
58.06604	5.2
59.07378	2.2
60.00121	2.1
67.05497	62.2
69.07062	21.4
70.32744	8.4
71.04991	5.0
79.05484	34.0
79.35894	2.1
81.07050	79.4
83.04980	5.0
83.08608	13.9
85.06532	2.3
86.36812	2.3
91.05460	15.9
93.07038	62.3
95.04968	5.0
95.08599	18.3
97.06513	12.7
97.10168	2.4
104.10773	2.8
105.07036	6.0
107.08585	34.4
109.06484	3.1
109.10137	3.7
111.08069	6.0
117.06999	9.2
119.08562	3.2
121.10138	13.5
123.11710	3.6
131.08543	9.9
133.10133	7.7
135.08040	2.8
135.11690	10.4
149.09555	2.3
149.13239	39.2
159.11690	15.1
167.25352	2.3
177.12755	9.0
189.09828	2.1
195.13766	20.3
213.14856	2.9
236.14926	33.3
269.17456	100.0
305.40417	2.5
401.38510	2.2
463.30545	93.3
464.30618	2.7
476.67520	2.1
480.36597	6.8
498.37802	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
55.05499	4.7
57.03426	6.6
59.04988	2.3
59.99589	1.7
61.02921	2.5
63.62715	1.6
63.98579	1.5
66.68370	1.3
67.05493	36.4
69.03429	3.2
69.07049	5.6
70.56245	1.4
71.04993	8.7
71.71738	2.9
73.02941	1.9
79.05492	8.8
81.03386	2.5
81.07048	48.5
83.04961	2.9
83.08601	5.7
85.02895	3.8
85.06531	5.0
91.05460	10.6
93.07040	18.2
95.04958	3.4
95.08581	8.5
97.02871	2.5
97.06532	3.9
99.08073	2.0
105.07015	6.3
107.08578	7.8
108.04478	4.0
109.06520	1.8
109.10136	2.9
110.64026	1.5
111.08070	1.6
116.98572	1.5
117.07012	4.7
121.10138	2.9
123.11691	9.0
124.07574	3.7
124.85181	1.9
131.08575	4.0
133.10112	11.7
135.11699	4.6
139.03880	18.5
140.04181	5.5
146.05992	3.8
149.13229	11.9
151.11177	4.0
159.11688	19.8
168.06538	6.1
169.10114	6.1
169.12212	2.2
177.12733	27.5
179.14305	6.5
187.13336	5.0
195.13797	5.1
199.08545	1.7
206.08086	2.0
211.08736	5.4
213.97997	1.6
221.10645	1.9
225.10201	5.7
239.11794	6.9
243.15919	28.8
251.08214	1.9
251.16302	8.2
252.08882	2.3
253.09720	3.9
255.10912	1.8
267.11301	13.4
269.17441	84.5
283.10812	1.7
295.10739	7.1
297.12314	2.2
301.20111	13.6
313.11768	38.9
313.15329	2.5
341.11322	11.7
355.12827	3.8
359.12381	3.3
373.13904	100.0
374.14429	3.8
445.24393	4.4
466.19672	3.8
480.21277	2.1
498.21017	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91262	2.3
53.03939	7.7
55.01858	6.2
55.05513	28.5
57.03429	31.5
57.31657	2.3
61.02921	50.5
65.03957	5.0
67.05499	92.1
69.03426	52.2
69.07060	21.7
71.01338	8.8
71.04985	8.4
72.06917	2.5
73.02901	27.6
75.04470	4.4
79.05486	61.8
81.03410	27.6
81.07052	100.0
83.04982	8.4
83.08612	16.4
85.02396	4.5
85.02895	62.6
85.06546	3.8
85.09618	2.6
87.04473	3.5
89.05183	2.4
91.03954	32.4
91.05473	45.3
93.07035	76.4
95.04972	13.3
95.08598	71.5
97.02881	48.7
97.06522	8.8
97.10137	4.8
99.04431	12.9
101.02353	9.6
101.54366	2.4
103.03925	9.9
105.07014	41.2
107.08590	43.4
109.02879	11.3
109.06520	4.6
109.10144	33.3
109.89791	2.5
111.04418	7.4
111.08075	3.6
114.40162	2.6
115.03948	5.7
115.05415	3.5
117.06999	20.5
118.06495	2.8
119.08573	32.6
121.06514	3.4
121.10144	33.8
123.04429	3.1
123.08059	4.9
123.11694	13.0
125.09669	2.9
127.03914	20.0
129.05490	6.7
129.06985	11.6
131.08536	28.5
133.10135	22.7
135.08038	5.3
135.11676	24.0
137.09637	3.3
137.13264	4.6
141.07027	3.4
143.08537	9.8
145.04951	10.7
145.06522	3.6
145.10112	22.4
147.08035	5.7
147.11688	18.6
149.09683	5.3
149.13237	13.8
155.08556	4.1
157.10126	10.2
159.11662	17.5
161.13239	10.8
163.11212	3.8
163.14796	5.1
165.12697	3.5
169.10126	5.4
171.07977	3.4
171.11658	5.8
173.13220	14.0
175.14798	4.2
177.12669	4.2
181.10117	4.4
183.11679	4.6
185.13246	5.7
187.14833	8.6
189.12708	3.7
189.16376	2.5
197.13216	4.1
199.14836	5.2
225.12939	2.7
243.21011	5.1
253.71536	2.6
259.20584	6.0
261.22101	18.5
273.22064	4.1
277.21631	3.4
301.21552	5.5
302.13525	2.8
303.23199	5.9
335.25781	55.8
341.24823	3.9
345.24017	4.0
351.23019	4.3
363.25208	5.6
369.24155	7.4
387.25223	6.1
405.26266	4.6
443.27957	3.7
461.28900	5.5
479.30176	5.6
497.22525	2.7
497.30167	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	22.0
57.03420	34.5
61.02910	49.5
67.05486	68.8
69.03421	48.3
71.72411	15.2
71.72855	25.8
73.02904	20.2
75.22961	17.8
78.72981	14.5
79.05476	65.9
79.38174	14.2
81.03391	37.5
81.07047	100.0
85.02889	35.4
87.79604	15.7
91.03952	26.5
91.05463	42.5
93.07030	54.1
95.08597	74.5
97.02888	38.2
98.85680	15.8
103.03929	22.1
105.07050	25.4
107.08617	33.8
109.10135	42.4
117.06996	24.6
119.08596	32.8
121.10114	37.4
127.03972	21.6
131.08566	23.9
131.89722	16.3
135.11658	19.7
145.10068	23.2
147.11775	17.1
182.99973	19.9
200.76723	21.2
335.25977	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	497.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.2
53.03944	9.0
53.73674	1.3
55.01870	7.8
55.05506	26.0
57.03173	1.9
57.03434	35.5
57.07056	3.6
59.04963	1.2
61.02922	73.6
65.03943	2.4
67.05500	95.9
69.03047	2.6
69.03423	40.1
69.07055	23.1
70.03227	7.3
71.01351	6.9
71.04993	9.6
73.02909	35.9
75.04455	2.0
79.05486	62.4
81.03413	30.3
81.07050	100.0
83.01340	1.8
83.04977	7.0
83.08616	11.6
85.02898	72.7
85.06525	3.7
87.04440	4.0
91.03947	44.6
91.05473	45.2
93.07037	69.6
93.07520	0.9
93.07657	1.2
95.04963	9.8
95.08597	77.9
97.02884	62.2
97.06509	5.7
97.10148	5.7
99.04442	13.1
99.08083	2.5
101.02378	15.8
103.03940	11.3
103.82037	1.5
105.06337	2.7
105.07017	29.4
107.04958	2.3
107.08583	42.6
109.02861	11.7
109.06516	5.4
109.10140	33.7
111.04427	4.0
111.08079	2.8
113.09653	1.4
115.03916	6.1
115.05396	1.7
117.05472	3.5
117.07004	14.2
119.08571	26.8
121.06490	3.5
121.10135	35.0
123.08062	3.9
123.11700	16.1
123.98695	1.5
125.09602	2.5
127.03907	26.9
128.06166	2.0
129.05502	7.6
129.06979	4.9
131.08563	22.6
133.06448	1.7
133.10118	20.8
135.08051	4.1
135.11673	24.9
136.12045	1.5
137.05974	1.7
137.09621	2.8
137.13232	4.2
141.05399	1.5
143.08549	3.5
145.04955	10.2
145.10095	17.2
147.11696	15.5
149.09604	1.9
149.13255	14.3
153.08969	1.5
155.08562	2.2
157.10126	5.2
159.06516	3.1
159.11682	14.3
161.09615	2.0
161.13243	10.3
163.11185	2.4
163.14824	5.6
169.10120	1.7
171.11665	4.4
173.09561	1.9
173.13248	11.0
175.11229	1.5
175.14774	4.5
177.12729	1.7
177.16400	2.8
183.06506	5.8
183.11798	1.2
185.13251	3.6
187.14772	6.7
189.16364	1.6
191.14236	1.7
199.14679	2.4
201.07549	4.3
201.16418	2.3
211.14810	1.6
241.19380	1.5
243.21146	6.1
259.20493	2.0
261.22137	26.7
271.03711	1.5
275.23752	1.5
277.21646	1.7
279.23169	2.3
285.22113	3.1
299.23563	1.7
301.21564	3.0
303.23166	3.9
310.26965	1.5
315.23035	2.2
317.24713	3.0
319.22803	2.4
335.25781	87.0
336.26108	1.8
341.24487	2.6
345.24197	3.5
351.23090	2.4
357.24466	1.5
359.25604	1.8
363.25223	3.8
369.24216	3.7
387.25174	2.4
405.26260	1.6
443.27884	3.4
461.28732	3.2
479.30176	7.9
497.30963	21.6
498.30960	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
54.64585	0.8
59.82018	0.7
61.02924	1.1
61.85757	0.7
65.03938	0.8
67.05489	3.3
69.03423	2.5
69.07064	47.5
70.16402	0.9
70.27602	4.0
71.04964	1.0
75.94948	0.7
79.05489	1.1
80.04982	1.0
81.03407	0.8
81.07041	2.7
85.02901	7.7
92.04999	0.8
94.06549	2.1
95.04887	0.8
97.02885	2.7
97.06519	8.5
98.20803	1.4
117.96171	0.7
121.05274	0.9
121.06418	0.9
122.06033	4.8
124.07584	1.6
125.05925	0.9
127.03872	1.2
137.05965	2.0
138.05487	4.4
139.03958	0.8
140.07077	5.7
145.08844	1.5
146.09628	2.7
150.05495	60.7
152.03398	1.0
157.08849	1.3
160.11142	0.9
161.08319	2.8
162.09140	3.3
166.05006	14.6
168.06470	1.0
172.07617	1.3
172.11180	2.3
173.08318	1.7
174.12744	4.0
176.03429	5.1
178.04918	0.9
182.04567	0.9
190.12244	4.4
194.04483	2.1
200.07068	1.1
200.10690	5.4
202.12256	5.8
204.10280	1.3
213.10141	1.2
216.10155	3.0
218.08391	1.0
218.11758	16.7
228.10168	10.5
229.13278	1.2
234.11191	3.5
244.09663	1.9
246.11203	16.9
255.11340	0.9
262.10751	0.9
271.10718	3.0
272.08994	1.7
273.12329	1.5
274.10660	2.0
287.10208	6.9
289.11826	6.3
290.10074	1.2
299.10233	4.7
317.11319	27.8
318.09650	1.5
335.12350	100.0
336.12531	1.6
342.70523	1.0
420.91174	0.8
468.27951	0.8
497.17728	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	497.092
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
53.73356	0.2
55.01857	0.7
57.03435	0.3
61.02919	6.2
68.99781	0.8
69.03411	0.9
70.87783	0.5
70.88151	0.2
71.04996	0.2
73.02913	1.2
79.01820	0.7
80.33308	0.2
81.03384	0.4
85.02894	5.1
91.03946	2.9
95.01309	0.5
97.02888	3.5
98.26590	0.2
107.01296	0.3
109.02835	0.7
111.00758	0.3
111.04405	0.3
115.03918	0.2
115.05403	0.2
121.02837	0.4
123.00802	0.6
125.02345	1.3
127.00262	0.3
127.03880	0.9
131.04884	0.5
135.04454	0.2
137.02318	0.8
139.00206	0.3
139.03868	1.1
141.01781	0.5
143.03395	1.0
145.04961	0.6
147.04410	0.2
149.02356	0.2
153.01807	16.8
155.78253	0.2
159.04407	0.6
163.03883	0.6
165.01810	0.8
166.02647	0.4
169.01308	5.3
171.02876	0.3
171.04285	0.2
177.05435	0.3
179.03412	0.6
181.01280	2.2
185.00807	1.1
187.03876	1.2
191.03352	1.1
195.02847	0.4
205.04889	1.2
211.02310	0.2
215.03351	2.3
219.02895	0.8
233.04398	2.0
235.02289	0.3
237.04002	0.3
243.02814	1.5
247.02245	0.2
261.03940	4.2
265.03403	0.5
271.02310	1.4
279.04935	0.7
289.03400	10.0
290.03787	0.4
299.01849	1.0
300.02551	0.2
306.03674	0.5
307.04416	0.3
317.02866	10.2
318.03305	0.3
319.04462	0.7
331.00830	0.2
335.03931	100.0
336.04236	2.9
355.10864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.83680	0.3
55.05490	0.5
56.05025	1.1
57.03421	0.7
57.07069	3.5
58.06553	1.4
60.08158	16.7
62.18562	0.3
62.73898	0.3
67.05498	0.9
69.07060	0.6
69.51214	2.8
71.04979	0.4
71.07368	6.3
71.08627	2.1
71.17065	0.4
81.07040	1.3
83.08605	0.5
85.10162	0.8
86.09699	46.9
93.07001	0.4
95.08580	0.9
97.62856	0.3
98.98456	3.3
104.10735	100.0
105.11059	1.1
109.10109	0.5
112.93742	0.3
113.03690	0.3
124.99992	29.9
143.01047	0.4
161.52831	0.3
163.01633	0.7
166.02621	0.3
184.07329	99.7
185.07712	0.7
212.59100	0.3
258.11041	1.0
313.27386	1.9
463.10452	0.3
478.32910	9.4
479.33398	0.5
496.33960	24.5
497.33997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02014	0.8
53.03952	4.0
53.87242	0.9
55.01867	5.1
55.05508	18.0
57.03440	4.2
57.07069	2.8
59.04996	1.5
61.02923	1.8
65.03927	2.5
66.04702	0.8
67.05499	73.4
69.03417	2.0
69.06700	1.3
69.07061	18.5
70.05102	2.1
70.05488	2.6
71.01344	1.6
71.04987	47.0
77.03902	1.6
79.05490	47.2
80.37129	0.9
81.03415	4.7
81.07051	100.0
82.07328	0.8
83.04972	11.1
83.08619	14.0
85.02896	2.1
85.06525	6.3
87.04476	0.9
91.05473	43.3
93.07040	54.4
95.04972	7.9
95.08598	22.6
97.06523	13.6
97.10146	2.6
99.08088	2.4
101.24055	0.9
105.07020	22.0
107.04953	2.5
107.08589	30.3
109.06533	4.1
109.10138	9.8
111.04440	0.9
111.08065	7.4
117.07001	9.1
119.08583	6.4
121.06509	2.2
121.10136	16.5
123.08081	3.4
123.11700	15.9
125.09647	2.8
129.06990	1.9
131.08566	8.6
133.10123	22.3
135.08066	1.7
135.11685	10.8
137.09616	1.0
139.11176	1.2
142.26181	1.1
145.10126	2.1
147.11703	3.4
149.09666	1.7
149.13254	29.7
151.11177	11.7
157.10126	1.2
159.11687	13.3
163.11191	1.8
165.12805	2.3
167.07220	0.9
167.14331	1.6
169.12262	1.0
173.11688	1.1
177.12730	7.9
181.12242	1.4
183.13789	13.4
187.13345	1.6
193.12158	1.9
195.13794	11.2
196.09087	0.9
209.11580	1.2
211.13307	1.0
213.14894	1.9
217.05708	0.9
227.12776	1.3
227.16347	1.3
267.15927	2.4
269.17584	1.2
283.19125	2.0
285.17203	1.5
297.17130	1.0
391.28275	2.9
402.06781	1.1
423.27505	1.4
451.24411	1.7
451.30579	33.2
463.30542	4.9
477.28366	1.8
495.33771	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13193	1.3
53.03933	3.4
55.01862	4.3
55.05504	24.8
57.03432	10.8
59.04965	1.9
65.03930	3.3
67.05145	2.9
67.05498	45.3
69.03422	3.9
69.07063	18.5
70.27371	3.1
70.27742	5.9
71.04978	8.0
79.05484	38.9
81.03411	44.1
81.07052	100.0
81.36179	1.3
83.04972	16.6
83.08616	22.7
85.02891	21.4
85.06547	7.1
91.05476	47.3
93.07040	27.4
95.04958	21.9
95.08597	22.3
97.02895	3.8
97.06515	8.6
97.10166	2.6
99.08085	3.2
105.07021	50.4
107.04954	5.5
107.08587	18.4
109.06519	8.2
109.10145	5.3
111.04445	3.6
111.08083	11.6
113.06004	2.7
115.02520	1.4
115.05397	1.9
117.07020	5.6
119.08570	40.5
119.09426	2.0
121.06520	1.7
121.10137	22.2
123.08057	3.1
123.11698	25.6
125.09661	4.1
127.07571	3.8
129.06996	6.3
131.08549	13.0
133.06529	1.9
133.10089	8.3
135.11710	1.8
137.13223	3.1
142.07771	2.2
145.10110	4.1
147.08040	2.6
147.11682	64.2
149.09636	5.4
149.13252	2.2
157.10130	9.5
163.11159	2.0
165.12747	28.5
165.14061	1.7
175.11143	12.1
183.13831	4.2
191.10675	1.9
193.12218	46.1
194.12489	1.8
209.11696	3.0
211.13281	51.7
229.14276	3.5
267.15891	36.9
269.04678	1.2
269.17587	1.4
285.17050	5.5
459.27597	2.0
477.28482	6.5
495.29541	52.4
496.29941	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	495.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01859	4.6
55.05510	21.5
57.03427	15.1
57.07052	1.2
59.04992	2.2
65.03931	3.4
67.05154	2.4
67.05501	36.7
69.03419	4.9
69.07053	10.0
70.82097	3.5
71.04977	9.5
71.43454	1.1
79.05040	1.9
79.05486	37.5
81.03411	100.0
81.07051	43.1
81.07507	1.1
83.04974	20.7
83.08614	33.3
85.02900	48.1
85.03413	2.4
85.06535	3.4
91.05472	49.0
93.07042	24.4
94.62306	1.3
95.04961	43.6
95.08593	14.0
97.02878	3.6
97.06517	6.1
97.10152	5.5
105.07023	36.2
106.83562	1.2
107.04964	10.2
107.08585	11.5
109.06537	6.1
109.10144	5.0
111.04430	4.4
111.08080	13.7
113.05990	4.7
115.05405	2.1
117.07032	3.0
117.07887	1.5
119.04942	1.5
119.08566	32.1
121.06505	2.1
121.10135	16.4
123.08043	4.9
123.11708	3.1
125.09589	2.0
127.07515	1.3
128.06149	1.2
129.06982	17.7
131.08563	17.8
133.06436	2.7
133.10115	12.5
135.11646	1.2
137.09563	2.8
142.07787	3.9
145.10153	2.1
147.08044	4.7
147.11682	19.5
149.09619	8.1
157.10114	18.2
163.11179	1.9
165.12773	4.4
175.11172	20.9
193.12230	76.7
211.13275	87.1
212.13643	2.4
235.07005	1.4
267.15869	5.8
285.17023	3.2
385.23611	2.5
403.24835	2.0
449.37610	1.3
459.27606	2.4
464.71002	1.3
477.28461	5.3
495.29495	72.7
496.29694	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	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01867	5.1
55.05511	23.7
57.03435	14.7
57.07071	1.4
59.04984	1.2
65.03937	3.0
67.05151	2.5
67.05499	38.6
69.03423	5.5
69.07069	12.2
69.62877	2.9
69.63284	7.5
71.04993	9.9
74.92436	1.1
79.05486	35.9
81.03411	86.8
81.07053	50.8
83.04979	20.5
83.08614	35.0
85.02899	44.3
85.06539	2.6
87.04946	1.3
89.17385	1.2
91.05474	57.9
93.07043	29.1
95.04964	39.1
95.08601	17.6
97.02879	3.4
97.06521	4.9
97.10148	6.8
99.04485	1.3
99.08153	1.3
100.11230	1.7
105.04526	1.1
105.07024	31.9
107.04944	10.0
107.08578	13.0
109.06535	9.0
109.10162	5.9
111.04440	5.2
111.08083	14.4
113.05999	3.0
115.05431	2.5
117.07011	4.4
119.04918	1.6
119.08573	31.1
121.06517	3.1
121.10133	14.4
123.08067	4.8
123.11720	3.7
125.09631	3.1
126.57495	1.1
129.07004	15.8
131.08565	16.1
133.06517	5.2
133.10104	14.0
135.08076	2.5
135.11716	2.9
137.09602	3.0
142.07742	3.8
143.08580	1.4
145.06538	1.5
145.10139	4.1
147.08083	5.3
147.11678	22.0
147.20705	1.2
149.09595	8.5
157.10123	22.0
163.11200	1.4
165.12753	3.2
167.07039	4.5
173.13281	1.3
175.11172	21.7
189.11252	1.6
193.12231	83.6
194.12552	1.3
211.13277	100.0
212.13609	1.3
219.13799	1.6
227.12756	1.5
233.15207	1.3
237.46031	1.0
243.04311	1.0
249.14923	1.3
258.61719	1.2
267.15973	6.5
285.16919	4.5
313.36023	1.2
367.22757	1.6
385.23764	2.7
403.24991	2.0
459.27173	2.2
477.28436	5.3
495.29553	68.4
496.29813	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	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52612	0.7
53.03941	2.4
55.01863	2.2
55.05505	15.7
56.70539	0.7
57.03425	2.8
57.07066	1.2
58.84673	0.7
58.98959	0.6
59.04996	1.3
63.71778	0.6
65.03938	2.2
67.05498	41.0
69.03420	1.2
69.07060	14.9
70.96490	0.9
70.96805	1.5
71.04989	11.6
72.07333	0.9
73.06567	1.2
75.10415	0.7
77.03902	0.9
79.05483	27.7
81.03414	2.1
81.07048	100.0
83.04965	7.8
83.08618	10.6
85.02871	1.1
85.06528	5.7
85.83858	0.7
91.05473	28.7
93.07039	20.3
95.04965	3.8
95.08596	17.1
97.06503	7.1
97.10164	1.7
99.04446	0.7
99.08080	3.0
101.06039	1.0
105.07019	37.4
107.08593	13.9
109.06498	5.5
109.10154	3.1
111.08067	1.2
117.07021	1.8
119.08567	24.6
121.10131	22.3
123.08080	3.6
123.11691	29.1
125.09625	1.5
127.07584	2.4
131.08546	2.3
133.10094	5.3
135.11684	2.4
137.09544	1.3
137.13242	0.9
141.09062	0.9
145.10156	1.6
145.13782	0.7
147.11671	60.8
148.12016	0.9
149.13246	4.4
151.11183	1.7
157.10039	0.9
159.11693	3.3
165.12752	28.7
175.11195	1.1
177.12782	1.6
183.13782	6.2
189.57616	0.9
193.12244	1.8
195.13823	2.3
211.13306	1.7
229.14296	5.6
267.15891	35.2
271.21790	0.8
285.17007	3.0
296.64832	0.8
449.28607	1.8
451.30386	4.2
463.30545	0.8
477.28406	5.0
495.28635	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	493.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.01861	2.3
55.05508	20.3
57.03426	9.0
57.07069	53.5
65.03926	2.8
67.05496	60.7
69.07057	19.7
70.07080	2.0
70.07480	3.7
71.01373	3.0
71.04967	3.7
71.08626	35.7
79.05035	2.2
79.05484	40.0
79.05943	2.3
81.03403	5.6
81.07047	41.7
83.04987	9.2
83.08608	18.9
85.06541	2.9
85.10169	18.8
91.05468	16.5
93.07037	42.9
95.04974	6.1
95.08595	39.1
97.06532	9.5
97.10152	15.8
99.08080	2.2
99.11727	1.9
105.07026	3.7
106.93141	1.1
107.08584	26.8
109.10138	20.9
111.08073	2.2
111.11728	1.6
115.27711	1.0
117.06994	4.5
119.08582	5.2
121.06573	1.7
121.10101	6.6
123.11702	6.7
125.13212	1.6
133.10074	2.7
135.07991	1.3
135.11684	51.7
137.13251	3.0
143.08531	1.2
145.10085	9.0
148.53780	1.2
153.12782	1.7
163.11177	7.8
164.99837	1.2
181.12201	11.3
181.28259	1.1
193.12225	1.5
199.13240	1.6
221.22636	2.9
239.23636	10.0
253.95424	1.4
255.79390	1.2
325.63800	1.1
435.74832	1.2
493.30609	4.6
493.38837	100.0
494.39227	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	495.1127
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.05494	0.6
61.02922	6.8
68.99786	1.1
69.03428	1.2
69.57004	1.2
69.57413	4.7
73.02905	2.1
74.72402	0.6
78.44353	0.6
81.07014	0.7
85.02890	5.1
90.82855	0.6
91.03954	4.0
97.02862	2.6
98.09685	1.0
100.11246	2.5
109.02859	1.5
111.00742	1.1
120.77112	0.6
127.04002	0.7
137.02325	0.9
139.03894	1.7
145.04970	0.6
151.04045	0.7
153.01826	7.2
157.05104	0.7
165.01808	2.1
167.02032	0.5
167.03418	1.6
168.93282	0.7
182.15417	0.9
189.05434	0.7
193.04959	1.2
206.05792	0.7
208.03618	0.7
210.14886	0.8
216.04250	0.7
217.04956	2.6
219.02803	3.2
233.04489	1.8
234.05150	0.6
244.03738	1.5
245.04478	5.6
259.05844	0.7
273.03976	3.8
277.07007	1.1
287.05365	0.9
289.03415	2.6
290.04199	1.1
301.03433	6.2
304.05765	0.6
318.03696	11.0
325.56671	0.6
333.06024	100.0
334.06387	2.9
476.35315	1.0
494.30408	0.7
494.36624	3.8
495.37222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01860	2.6
55.05505	18.3
55.80729	1.3
57.03430	7.8
57.07071	40.9
65.03946	2.3
67.05505	51.4
69.07066	17.8
71.01340	1.8
71.04995	1.7
71.08624	28.2
71.16737	2.7
71.17075	2.1
79.05490	29.1
81.03389	5.3
81.07054	34.5
83.04984	9.2
83.08618	16.2
83.53384	1.2
85.06520	3.6
85.10189	16.3
91.05472	17.3
93.07042	37.1
95.04976	3.6
95.08015	2.8
95.08599	34.8
97.06531	10.0
97.10162	14.9
105.07014	4.0
107.07925	2.4
107.08595	25.3
109.10140	16.7
111.08103	1.6
111.11700	2.8
117.07014	3.8
119.08571	3.3
121.10141	5.7
123.11675	6.2
123.16360	1.3
125.09658	1.4
133.10094	2.0
135.11687	47.4
137.09534	1.6
137.13261	2.6
141.21761	1.5
144.86937	1.4
145.10078	7.2
153.12721	3.1
163.11177	5.7
181.12228	10.4
184.73119	1.2
193.12373	1.5
199.13246	3.5
239.23723	10.3
260.92850	1.6
325.49847	1.4
366.65552	1.4
399.12640	1.9
406.34717	1.4
455.32410	1.3
493.30368	11.3
493.38806	100.0
494.39124	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	493.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01868	13.9
55.05248	2.6
55.05505	42.4
56.09388	2.2
57.03424	15.2
59.04993	5.7
65.03932	5.4
67.05499	66.8
69.03415	9.3
69.07076	15.4
70.66479	8.2
71.01324	2.8
71.04991	9.4
71.06956	2.5
79.05489	67.1
81.02956	5.2
81.03414	85.0
81.07055	55.3
83.04976	25.9
83.08614	34.2
85.02900	21.2
85.06528	6.5
91.05475	61.5
93.07040	51.4
95.04960	42.5
95.08590	26.5
97.02890	6.3
97.06522	12.0
97.10162	15.5
99.04457	2.9
105.07021	35.0
106.07342	3.0
106.54637	2.2
107.04932	24.0
107.08588	29.6
109.06498	9.0
109.10140	18.6
111.04430	13.4
111.08075	13.4
115.05437	3.5
117.06999	12.9
119.04967	4.1
119.08569	33.5
121.02827	4.2
121.06496	10.3
121.10126	20.8
123.04398	5.6
123.08048	10.4
123.11710	4.4
125.06016	3.5
125.09624	12.4
128.06209	4.7
129.06982	16.6
131.04942	3.0
131.08592	18.1
133.06516	3.5
133.10135	16.4
135.04416	5.7
135.08072	6.3
135.11665	19.4
137.05946	3.0
137.09634	4.2
141.06960	2.8
143.08565	4.2
145.10107	20.6
147.04367	4.4
147.08020	7.6
147.11671	17.5
149.05981	2.8
149.09615	13.6
151.11185	4.1
153.09190	3.5
153.12744	13.2
155.08519	2.7
157.10109	14.2
159.08080	2.8
161.09627	2.7
163.11165	26.1
165.12753	3.7
168.43268	2.9
173.09575	7.1
173.11845	3.6
175.11154	12.9
175.50014	2.9
181.12192	11.8
189.11237	9.4
191.10706	8.9
193.12227	57.5
201.12836	3.9
209.11705	22.9
211.13254	52.8
227.12767	21.0
229.14374	3.2
231.13869	4.5
247.13336	11.1
249.14896	7.3
265.14316	3.5
267.16028	9.8
283.15399	9.1
321.17007	3.0
321.23416	2.9
337.21579	2.7
355.22714	3.0
365.21072	5.2
373.23206	3.5
383.22153	6.8
401.23248	10.1
406.59467	3.1
419.24680	2.4
447.26935	2.3
457.25732	2.8
475.26889	31.8
493.27939	100.0
505.75204	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	493.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.4
55.01864	15.2
55.05253	2.7
55.05504	49.0
56.99738	2.7
57.03431	16.9
59.04996	4.6
65.03925	4.6
67.05499	78.2
69.03413	9.1
69.07049	20.3
70.84151	8.1
71.04981	5.7
73.02853	3.1
79.05032	4.0
79.05482	68.2
81.02955	4.7
81.03409	81.8
81.07047	61.6
83.04978	28.6
83.08619	36.7
85.02900	17.9
91.04940	4.2
91.05473	66.9
93.07034	74.5
95.04958	51.4
95.08599	43.5
97.02856	9.3
97.06492	11.8
97.10144	15.4
99.04473	4.1
105.07015	37.4
107.04943	28.2
107.08579	41.3
109.06507	14.5
109.10159	22.0
111.04426	18.5
111.08097	15.4
115.05426	4.7
117.07014	20.8
119.08560	39.1
121.02847	9.0
121.06501	14.0
121.10122	25.6
123.04401	5.9
123.08040	8.3
123.11729	3.8
125.09601	13.8
129.06993	17.5
130.30107	2.9
131.08528	20.1
133.06454	5.7
133.10088	14.5
135.04364	6.4
135.08035	9.0
135.11690	50.2
137.09595	4.5
140.34865	3.0
142.07744	3.8
143.08496	3.6
145.06433	3.4
145.10110	35.4
147.04420	3.9
147.08044	6.5
147.11649	15.6
149.09602	7.6
153.09045	5.0
153.12720	10.5
157.10110	12.5
159.11707	5.3
161.09618	4.2
163.11156	57.4
169.10080	3.0
171.10165	3.2
173.09567	6.1
173.11737	4.1
173.13228	3.0
175.11150	14.4
181.12238	21.9
183.11597	4.3
189.11174	7.1
191.10605	10.3
193.12244	48.2
201.12769	2.8
205.12270	3.9
209.11674	15.5
211.11255	5.5
211.13246	60.8
219.13667	5.5
221.15508	3.8
227.12764	100.0
229.12354	4.0
229.14386	9.4
231.13692	3.5
247.13268	27.3
249.14870	8.0
254.68993	3.0
259.13339	3.3
265.14410	5.1
267.15921	21.8
269.78714	2.7
283.15305	13.8
321.16898	6.0
355.22797	3.7
365.21042	3.1
383.22052	14.3
401.23184	10.8
419.24408	3.0
449.41855	2.7
475.26871	38.1
493.27817	93.3
494.27612	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	493.2792
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03930	6.0
55.01867	14.1
55.05506	46.0
55.74508	1.8
57.03431	15.5
57.07057	3.0
57.33867	1.7
59.04984	7.4
65.03904	5.3
67.05161	3.0
67.05500	52.6
67.36110	1.7
69.03404	6.1
69.07060	16.2
69.44122	16.9
71.04991	12.5
79.05482	63.6
81.03412	81.2
81.07049	64.1
83.01333	9.8
83.04517	2.7
83.04969	32.5
83.08611	33.0
85.02898	35.5
85.06525	4.3
91.05469	64.4
93.06441	3.1
93.07036	62.2
95.04955	44.1
95.08601	24.5
97.02859	5.8
97.06521	10.2
97.10130	7.2
98.21539	2.8
99.04451	2.6
105.07015	48.9
107.04938	17.6
107.08583	31.1
109.06499	13.2
109.10143	10.6
110.07191	1.6
111.04395	7.8
111.08062	16.3
113.05960	4.8
115.05453	1.7
117.06992	15.2
119.07751	2.9
119.08561	34.9
121.06500	8.4
121.09404	2.1
121.10133	21.9
123.04362	2.8
123.08063	12.9
123.11675	3.9
125.05962	5.6
125.09598	5.6
129.07021	17.2
130.07779	3.1
131.08563	24.7
133.06438	4.3
133.10114	16.9
135.08029	6.7
135.11678	19.9
137.09563	4.2
139.07495	3.0
142.07762	2.8
143.08501	5.0
145.06456	3.6
145.10086	21.0
147.08000	7.7
147.11696	15.6
149.09621	8.8
151.11127	1.9
153.12694	5.9
155.08543	3.1
157.10097	14.9
159.11647	3.1
163.11172	35.5
165.12648	5.9
169.10207	2.1
173.09572	4.3
175.11168	15.7
181.12189	7.7
189.11105	2.4
191.10576	5.1
193.12227	67.5
195.13626	2.0
209.11708	9.6
211.13275	68.2
227.12767	12.1
267.15866	7.7
283.15225	3.6
351.22723	2.1
383.21872	4.8
405.26495	2.3
447.27222	2.1
461.28748	6.4
462.06808	1.8
475.26736	6.2
493.27695	100.0
494.28006	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	493.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09215	4.4
55.01861	14.4
57.03419	6.8
57.15289	4.7
59.00077	4.1
69.60888	11.0
69.61287	38.3
81.03425	6.9
85.02895	29.7
93.03382	9.0
97.02896	8.6
103.03936	6.5
109.02875	8.3
121.02862	16.9
123.04435	12.3
124.97715	4.6
127.03960	4.3
129.07004	7.4
133.06450	10.3
134.06786	5.6
135.04367	6.3
139.03891	46.1
147.04428	15.2
151.03873	12.3
153.01851	32.2
159.04366	10.0
161.05986	11.7
163.03955	17.9
165.05504	7.5
167.03528	6.5
169.06503	5.2
169.23203	4.7
171.04379	16.6
172.26871	4.4
173.02318	5.6
173.05972	8.2
175.03900	27.1
175.07552	7.0
175.09247	4.4
177.05443	23.6
181.04965	25.5
181.06383	7.4
184.23442	4.6
185.06023	11.9
187.03920	23.2
189.05464	18.5
191.03322	5.4
193.04942	37.2
199.03915	10.7
201.05463	21.0
203.03497	7.1
203.07047	12.2
203.43079	4.4
205.04936	46.2
207.06525	5.7
211.06027	12.6
213.05493	19.4
217.04968	44.4
219.02934	6.2
219.06400	15.8
221.04425	19.6
223.05992	40.2
225.05386	11.4
227.06960	10.5
229.04988	24.7
231.06581	33.2
235.05963	50.9
237.05481	8.4
241.04956	20.7
243.06535	19.4
245.08049	10.2
247.06010	92.2
249.07613	9.3
253.04965	13.6
255.06534	14.7
257.04523	7.3
257.08154	7.8
259.06018	98.7
271.05942	34.9
273.04169	4.5
273.07516	17.6
277.07095	54.4
283.06076	23.1
285.07574	16.1
289.07065	100.0
295.05975	9.1
297.07443	11.4
301.07068	73.7
307.08179	35.9
307.96561	4.9
313.06924	65.8
319.08231	26.0
325.09720	69.6
331.08136	6.2
335.82974	5.2
337.09058	21.5
343.08057	37.1
355.07565	28.0
361.09143	27.8
367.08057	13.3
373.09149	35.8
379.10275	16.9
385.09091	19.2
391.10126	44.8
403.10226	19.7
421.11221	19.1
439.12372	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05491	0.6
57.03419	0.5
61.02921	0.6
65.03923	1.1
66.04713	0.7
67.05470	0.9
69.03417	0.5
70.06583	0.6
71.70975	0.9
79.05486	2.5
79.47374	0.4
81.03399	1.1
81.07042	1.8
83.04959	0.8
85.02908	1.2
86.09684	0.7
91.05476	7.6
93.07047	0.8
94.04176	3.5
95.04961	3.0
103.05448	4.5
105.07033	2.5
107.04953	1.6
107.08621	0.6
109.06509	1.5
115.05459	1.6
117.07018	1.4
119.04914	4.1
120.08034	0.9
121.06510	2.1
121.91397	0.5
122.03640	10.2
123.04387	1.6
128.06200	0.9
129.07008	2.1
131.04922	7.6
133.02740	0.6
133.06447	3.2
135.08044	1.7
137.05966	100.0
138.06325	1.8
139.03906	0.5
141.06955	1.1
143.08577	0.5
145.06461	1.8
147.04396	0.8
147.08070	0.6
149.05966	3.2
151.07535	24.0
152.06187	0.7
153.05394	0.6
153.06967	0.5
157.06471	1.4
159.08156	0.6
161.05956	4.3
161.09645	0.6
162.06760	0.6
163.03934	0.5
163.07532	16.3
165.06985	4.9
165.09035	2.5
167.07079	1.3
167.08548	4.0
169.06441	0.6
173.06052	0.7
174.06747	0.9
175.07524	3.8
177.06985	0.8
177.09047	1.7
182.07234	0.9
187.07544	2.1
189.09064	3.9
191.08231	0.9
191.10666	1.0
193.06491	2.1
194.07150	0.7
195.08037	7.2
201.09094	1.5
203.08676	0.8
203.10576	0.9
206.07361	0.6
207.08020	0.6
209.09682	1.1
210.06691	1.8
212.08351	1.0
213.09097	0.8
219.08040	1.6
221.05933	3.1
221.09608	1.0
223.07513	2.7
224.08318	1.1
225.09108	1.4
227.07167	0.7
227.10651	6.6
237.08997	0.6
238.06230	1.2
239.07121	0.6
249.09140	0.6
251.10667	1.3
252.07835	0.8
253.08589	3.2
255.07294	0.6
255.10139	8.3
267.10202	1.7
269.11789	0.7
270.05341	0.5
279.10257	1.0
281.11533	0.8
285.11221	5.9
287.12759	15.5
301.14474	0.7
305.11661	1.6
307.13177	0.7
313.14175	2.8
315.04962	2.5
319.13333	1.0
325.14444	1.7
331.08051	7.5
337.14261	0.7
347.07657	1.0
351.15912	3.3
369.16849	0.7
415.19443	3.2
443.18378	2.5
475.21228	1.4
493.28223	0.6
494.17795	0.5
507.36810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1339
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.86849	0.1
79.52893	0.1
85.02888	0.2
91.05456	0.3
92.77456	0.2
101.38071	0.2
131.04880	0.2
137.05948	1.6
139.03853	0.5
151.07549	0.4
153.01793	0.6
154.02585	0.3
162.09306	0.2
163.07483	0.4
178.02640	0.5
214.06190	0.2
241.04773	0.2
242.05664	1.7
253.04993	0.2
258.05222	1.5
269.04535	0.2
270.05212	8.8
271.05597	0.2
273.03830	1.0
285.03906	0.2
286.04752	1.3
287.05487	3.5
287.12677	0.3
298.04453	0.3
299.05524	0.7
301.03452	1.8
302.04187	2.4
313.03372	0.8
313.06448	0.2
315.04956	33.5
316.05701	4.6
331.08087	100.0
332.08438	2.1
493.13358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2998
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03935	10.2
55.01861	7.4
55.05510	35.4
56.80199	2.3
57.03429	9.5
57.07081	2.3
59.05003	3.9
65.03935	3.6
67.05496	73.6
69.03422	5.6
69.07044	14.7
69.72567	9.2
69.73000	7.4
71.04974	5.4
79.05482	94.8
81.03413	58.5
81.07048	86.4
83.04971	19.2
83.08613	29.9
84.97527	2.6
85.02908	13.0
85.06545	6.8
91.05471	100.0
93.07035	69.7
93.07493	1.6
95.04958	35.5
95.08598	35.1
97.06535	8.8
97.10159	13.1
99.08088	4.2
105.07018	63.0
107.04956	10.3
107.08585	22.2
109.06496	13.7
109.10150	7.1
111.08091	9.1
115.05445	2.8
117.07015	17.5
118.83882	2.2
119.08578	38.8
121.06492	6.8
121.10139	9.0
123.08044	9.3
123.11686	14.2
125.09650	7.4
128.06233	4.0
129.06995	26.4
131.04849	2.5
131.08551	18.4
133.10112	20.2
135.07996	4.0
135.11685	3.8
141.06969	3.5
143.08553	11.2
145.10127	13.4
147.07999	4.9
147.11671	42.9
149.09660	6.0
155.08577	3.1
157.10132	10.1
159.11713	4.2
161.09630	6.1
161.13225	10.8
165.12733	6.8
169.10214	3.4
171.08061	2.7
171.11711	28.2
175.11214	8.8
179.14278	4.5
185.13316	4.7
187.13321	5.7
189.11252	5.5
189.12764	9.7
192.29840	2.4
193.12209	31.0
207.13809	27.1
211.13281	23.3
227.12743	6.0
229.15860	3.3
231.13693	3.2
243.16006	3.6
249.14972	6.6
267.15894	27.4
276.92947	2.6
277.18091	3.7
281.17361	19.0
305.17328	4.7
335.23566	2.5
351.25244	8.2
363.23358	3.8
381.24133	4.9
385.51205	3.7
399.24982	5.8
413.02271	2.3
455.27359	2.7
473.29007	42.1
491.30008	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	491.2991
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
55.05511	40.6
58.84425	14.3
65.16610	14.7
66.25806	19.5
66.87151	16.6
67.05508	100.0
79.05499	96.8
81.03410	38.3
81.07053	96.4
83.01273	16.3
83.08631	21.1
84.20023	15.4
85.53608	14.7
91.05502	87.8
93.07028	71.3
95.04983	27.2
95.08591	51.8
97.10174	21.0
105.07024	49.4
107.04961	21.9
107.08589	40.0
109.10146	31.1
117.07053	26.5
117.08674	15.6
119.08572	40.2
121.06525	18.8
129.06966	23.7
131.04904	22.4
131.08528	26.2
133.10144	19.3
142.77332	16.5
143.08549	22.6
145.10133	21.6
147.11659	29.3
220.07349	19.7
235.09674	35.7
281.17697	25.2
288.04593	16.6
291.30090	16.4
384.63940	15.6
473.28983	30.6
491.30023	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01860	3.6
55.05511	26.8
56.81212	1.1
57.03424	3.8
57.07062	1.4
65.03925	4.0
67.05499	65.6
69.03423	2.6
69.06697	1.6
69.07064	24.7
71.04982	5.4
71.15228	1.1
71.72456	1.7
79.05490	72.0
81.03425	7.5
81.07051	100.0
82.07382	1.8
83.04971	12.2
83.08612	14.0
84.45137	1.1
85.02876	1.4
85.06538	6.1
91.05473	61.4
93.07036	53.1
95.04962	20.0
95.08604	38.0
97.06516	9.8
97.10170	6.5
99.08069	1.7
103.05441	1.6
105.07020	53.9
105.07735	2.7
107.04947	9.1
107.08574	25.8
109.06498	7.3
109.10152	8.7
111.08087	2.9
113.06010	1.7
115.05496	1.8
117.07005	9.2
119.04938	16.4
119.08575	36.6
119.09418	2.2
120.05301	1.6
121.06502	3.0
121.10133	20.8
123.08059	7.8
123.10883	2.0
123.11696	23.4
127.07539	3.7
128.06244	3.7
129.07005	8.9
131.08553	4.8
133.10126	10.4
135.08029	2.0
135.11687	4.3
137.13210	1.9
139.11227	1.8
143.08611	5.9
145.10120	5.3
147.04402	80.7
147.11678	66.9
148.04713	7.5
149.13280	1.8
157.10191	1.3
159.11687	2.1
161.09572	2.9
161.13220	8.1
165.05460	6.1
165.12761	22.1
171.11665	17.3
177.12709	1.4
179.14275	1.4
183.13791	2.6
189.12711	9.1
205.12265	2.5
207.13797	20.8
223.13300	7.4
225.14725	2.1
229.14337	2.9
235.20654	2.0
267.15915	33.8
279.15982	1.5
327.25204	8.2
367.22745	1.3
385.24252	1.6
459.27484	2.4
491.29941	57.8
492.30521	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	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01859	0.5
55.05509	7.6
57.02140	0.3
57.03438	3.7
57.07067	1.5
61.63692	0.2
65.03934	1.3
67.05147	0.6
67.05501	10.5
69.07065	10.4
69.57556	0.3
71.04977	0.8
71.08604	0.3
71.28532	0.3
72.32597	0.3
79.05489	3.9
81.07051	13.8
83.04956	1.0
83.08114	0.3
83.08612	6.4
85.06530	1.0
91.05472	12.4
93.07040	4.9
93.75926	0.3
95.04948	0.5
95.08603	12.2
97.06516	2.1
97.09604	0.2
97.10163	5.5
99.08091	0.7
105.07027	2.8
107.08577	3.7
109.10146	4.5
110.97845	0.3
111.08056	0.8
111.11701	1.7
113.09653	0.4
115.07568	0.4
119.04935	25.8
119.08571	2.1
120.87641	0.3
121.10138	4.1
123.04427	0.4
123.08038	0.6
123.11707	2.2
125.09579	0.6
125.13268	0.4
131.08624	0.3
133.10080	2.5
134.59491	0.3
135.11684	4.3
137.09624	0.7
137.13251	0.9
139.11137	1.0
141.09044	0.2
147.04396	100.0
147.11653	2.0
148.04747	2.0
149.13225	1.5
151.11235	0.6
151.14812	0.6
153.12711	0.7
154.14783	0.3
157.12242	0.3
161.13255	1.7
163.68123	0.3
165.05478	9.9
165.12756	1.0
175.14832	0.7
176.92719	0.3
179.14236	0.5
185.05905	0.4
196.50806	0.3
202.15459	0.3
217.19508	3.7
221.08003	0.6
235.20554	3.8
253.21617	1.7
291.23019	0.3
309.24203	2.6
327.25278	18.2
347.18530	0.3
456.85538	0.3
491.29965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01859	0.7
55.05509	6.3
57.03431	2.5
57.07052	0.7
63.79498	0.2
65.03918	1.0
67.05502	8.5
69.03418	0.2
69.07063	8.3
69.71964	1.2
71.04977	0.8
71.08607	0.2
79.05490	3.2
81.07050	9.4
83.04987	0.4
83.08617	4.9
85.06548	0.5
88.81567	0.2
91.05473	9.9
93.07044	4.3
95.04964	0.5
95.08599	9.3
97.06523	1.3
97.10157	3.3
99.08090	0.7
99.36884	0.2
105.07043	1.8
107.08566	2.1
109.10151	3.9
111.08058	0.9
111.11713	1.3
113.09616	0.3
115.07423	0.2
117.06977	0.2
119.04936	20.4
119.08553	1.8
120.05249	0.2
121.10142	3.1
123.04420	0.3
123.08016	0.3
123.11718	2.0
125.09615	0.6
125.13311	0.3
129.05470	0.3
133.10144	1.6
135.11681	2.9
137.09628	0.3
137.13254	0.7
139.11221	0.4
147.04399	100.0
147.11673	1.2
148.04736	1.7
149.13249	0.6
151.11205	0.7
151.14740	0.5
153.12747	0.8
161.13271	1.1
165.05467	13.6
165.12785	0.6
166.05836	0.2
175.14815	0.4
179.14278	0.4
217.19502	2.5
221.08101	1.3
235.20580	3.0
253.21645	0.8
309.24228	2.7
327.25290	15.6
328.25549	0.3
466.01935	0.2
473.28818	0.8
491.30103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1183
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
52.16563	2.0
55.05500	6.9
57.03435	3.9
59.04967	2.2
61.02932	4.6
68.43233	2.0
69.03437	3.0
70.20967	7.7
71.04990	55.4
71.96496	2.3
75.04481	3.4
83.04978	29.5
85.02905	15.2
86.37852	2.3
87.04464	7.7
91.05493	1.9
99.04460	2.4
111.04433	63.9
113.06002	31.3
115.03922	5.3
117.05466	13.9
125.05985	2.9
129.05464	100.0
130.72824	2.0
131.54782	2.4
137.02344	4.7
137.05994	4.1
147.04433	3.2
153.01826	4.8
153.05446	2.7
163.03860	2.1
171.06528	26.9
172.98203	2.2
183.16003	1.9
184.07405	2.2
188.87823	1.9
189.07562	51.6
189.09203	3.7
193.61307	2.0
211.59872	2.2
229.04881	3.5
238.76773	2.5
269.56116	2.3
303.04968	91.2
304.05453	2.9
380.13147	2.4
406.14761	2.3
481.37598	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	491.2999
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03941	3.7
53.49786	2.9
55.01863	11.9
55.05283	3.0
55.05508	41.0
57.03432	9.5
59.04988	4.0
65.03917	2.2
67.05145	4.3
67.05497	58.1
69.03419	3.3
69.07056	21.9
71.04973	19.6
71.23042	5.4
73.44412	2.5
75.98905	2.5
77.03911	4.9
79.05489	70.5
80.19608	2.4
81.03416	13.8
81.07050	66.5
83.04957	12.0
83.08614	20.0
85.02911	2.5
85.06548	9.0
91.05482	45.5
93.07037	71.5
95.04965	32.5
95.08607	27.4
97.06517	9.6
97.10161	16.4
103.05477	3.5
105.07015	32.9
107.04951	63.0
107.08582	29.5
109.06515	25.0
109.10162	20.8
111.08104	6.1
115.05471	2.8
117.07014	24.7
119.04913	2.7
119.08577	22.0
121.06493	56.6
121.10142	32.0
123.04432	3.9
123.08059	9.4
123.11688	8.4
125.09639	19.1
129.06990	19.5
130.07788	2.8
131.04922	7.7
131.08559	33.1
133.06502	10.0
133.10118	12.0
135.08044	15.7
135.11725	5.6
137.09624	9.0
139.11153	5.8
141.06985	5.5
143.08574	8.2
145.06488	15.8
145.10103	13.6
147.04381	3.3
147.08067	11.6
147.11679	6.4
149.09612	12.0
149.13263	4.2
153.09122	3.4
155.08534	5.7
157.06534	3.5
157.10127	6.9
159.08090	7.9
159.11703	6.4
161.05975	5.0
161.09616	8.7
163.07539	3.9
163.11221	8.5
165.09109	40.8
167.10703	9.1
169.10075	6.3
171.08035	5.2
171.11696	6.2
173.09641	2.9
173.13319	9.7
175.07538	4.4
175.11156	4.2
183.11766	2.9
185.13255	4.5
187.11232	4.6
187.14848	5.0
189.09390	3.9
189.11232	10.0
189.12744	2.9
191.14357	6.8
193.12234	7.4
195.11790	3.8
197.13304	4.2
199.11252	7.6
199.13303	14.1
205.12276	5.3
213.12711	4.7
215.14478	2.7
219.13803	22.7
223.13272	4.4
231.13889	3.3
233.15329	7.0
237.12759	4.3
247.17046	4.8
249.14899	9.9
255.13753	5.1
257.15454	4.9
269.15533	2.5
271.16992	5.2
273.14856	11.4
275.16373	12.2
283.16766	2.6
287.16476	4.1
289.17929	4.4
339.23279	6.1
349.21536	14.2
367.22592	41.2
385.23703	50.7
399.25406	5.6
403.24762	11.7
417.26569	6.1
423.25714	3.7
435.27460	3.1
441.26523	9.7
459.27362	96.4
473.28955	7.5
491.30063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1181
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
55.05511	3.9
57.03415	1.1
61.02909	1.2
68.99773	0.7
69.03421	57.8
70.31532	2.7
71.01333	2.4
71.04689	0.5
71.04984	6.4
83.04972	17.0
85.02893	6.4
87.04405	0.7
100.98469	0.5
111.00749	0.8
111.04430	16.2
112.33151	0.6
121.02838	0.7
123.04401	0.5
124.70177	0.7
129.05464	35.6
137.02315	4.4
145.06538	0.7
153.01804	3.3
155.38586	0.6
165.01807	2.3
183.02817	0.7
189.07571	8.8
201.05423	2.0
219.02924	0.6
229.04875	3.8
247.05986	0.7
257.04382	3.1
285.03983	0.9
303.04965	100.0
304.05350	2.2
315.04886	1.2
345.06119	1.9
395.07675	1.5
413.08578	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	491.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03650	1.2
52.02095	1.0
55.01855	1.2
65.03937	1.9
67.01865	1.6
68.99783	7.3
70.47897	1.1
79.01857	7.8
81.03392	1.6
83.01337	1.7
85.02921	1.6
95.05015	1.1
97.02888	3.0
103.05427	1.2
107.01294	1.9
109.02882	2.3
111.00792	2.9
111.04455	1.3
113.02384	1.5
113.21348	1.1
121.02863	2.0
122.93954	1.1
123.04403	3.9
125.02348	5.0
126.03157	1.6
127.03918	3.2
128.54414	1.4
131.04979	1.4
134.03558	1.9
135.04414	3.1
137.02293	1.4
139.03893	69.8
140.04657	1.2
141.01826	1.6
143.03386	11.1
145.02832	1.4
147.04408	3.3
149.02327	3.8
150.03102	7.1
151.03932	6.9
153.01816	100.0
154.02388	1.0
155.03381	30.4
155.04678	2.7
159.04387	2.6
162.03085	5.9
163.03888	24.8
164.04703	1.7
165.05455	3.5
166.02597	1.6
167.03363	2.0
169.01328	3.8
171.02826	2.1
171.04314	1.3
175.03938	1.6
176.04677	1.4
177.05525	2.3
179.03438	7.4
181.04927	4.4
183.02957	1.4
183.04414	1.8
185.06096	1.3
187.03889	2.7
189.05492	3.0
191.03365	3.0
192.04152	1.9
193.04987	4.2
199.03877	3.1
201.05492	2.1
202.02580	2.8
203.03345	2.5
205.04955	5.2
207.06429	2.7
213.05630	1.2
215.03342	3.0
216.51508	1.4
217.04961	4.1
227.03300	1.2
227.23279	1.3
229.04987	3.7
233.04437	4.0
235.06041	3.9
243.02878	2.3
245.04538	1.7
257.04437	2.9
261.03992	3.1
262.04794	1.6
275.05463	2.2
285.03934	1.3
286.04608	1.3
287.05408	6.4
288.06265	4.9
289.07092	3.6
303.05014	4.4
304.05750	3.1
305.07007	1.3
321.05917	2.7
332.44257	1.2
386.94174	1.3
437.03564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.02378	1.3
53.03945	1.8
55.05507	18.1
57.03431	5.9
57.07064	2.1
59.04992	1.2
65.03940	2.0
67.05499	55.7
68.05828	1.2
69.07068	15.7
71.04984	2.6
73.15143	1.0
79.05041	1.8
79.05489	30.5
81.07051	35.6
83.04972	2.3
83.08611	6.8
85.06533	3.4
91.05471	21.9
93.07041	30.9
95.04960	3.2
95.08600	27.2
97.06513	2.6
97.10165	5.6
99.08092	1.3
105.07030	23.2
107.04977	2.0
107.08589	15.8
109.06538	1.9
109.10150	31.1
111.08099	2.0
117.07027	10.3
119.04962	1.9
119.08575	28.4
121.10129	13.0
123.08073	1.3
123.11693	2.5
125.09644	2.8
129.07027	5.1
131.08559	19.1
133.10133	16.3
135.11708	8.7
139.11171	1.7
141.07004	2.7
143.08565	6.9
145.10118	14.6
147.04398	6.9
147.11674	11.5
149.09650	1.2
149.13232	3.1
155.08508	1.6
157.10165	6.2
159.11674	11.6
161.13214	6.0
163.14825	2.2
169.10135	2.6
171.11694	5.6
173.11723	7.3
173.13283	10.2
175.14798	3.4
183.11617	2.5
185.13274	4.6
187.14847	3.7
192.73973	1.1
197.13342	2.9
199.14827	4.4
201.16405	2.1
211.14897	2.4
213.14610	2.3
213.16492	1.9
215.17909	2.2
225.16455	1.7
227.18069	1.5
239.18071	1.2
241.19679	1.6
244.28691	1.2
253.19693	1.5
255.21216	1.4
259.20792	1.6
261.22125	2.4
267.21024	1.4
271.20596	1.6
273.22195	1.6
275.20041	1.5
285.22150	2.4
289.21713	1.3
299.23685	2.0
303.23065	1.5
325.23758	1.6
363.25015	1.2
369.31674	1.4
377.27026	2.3
377.34125	1.2
379.29987	9.0
397.30960	13.9
415.32117	4.3
433.33289	2.0
435.32388	1.7
471.34702	14.1
489.35782	100.0
490.35938	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	489.3571
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03935	2.0
55.01876	1.1
55.05501	16.8
57.03432	4.5
57.07073	2.3
59.04990	3.7
65.03934	3.3
67.05496	82.0
69.03411	1.7
69.07063	10.5
71.04979	3.0
79.05482	29.5
81.07048	41.6
83.04987	2.0
83.08611	9.7
85.06528	3.3
91.05466	26.7
91.06040	1.4
93.07035	39.8
95.04954	5.2
95.08591	29.9
97.06516	3.1
97.10174	3.2
105.07019	24.5
107.08581	20.4
107.09252	1.9
109.06519	2.4
109.10143	49.2
111.08080	2.4
115.05349	1.1
117.07012	10.0
119.08569	25.8
121.10130	18.3
123.08081	2.3
123.11729	3.1
125.09634	2.5
126.26084	1.0
129.06972	5.5
131.08554	15.8
133.10117	13.8
135.11700	11.2
137.09624	3.7
139.11165	2.4
141.07028	2.1
143.08533	4.9
145.10104	14.9
147.04399	1.2
147.11652	10.5
149.13225	5.1
155.08556	1.7
155.10664	2.0
157.10083	5.6
159.11665	11.9
161.13249	7.1
163.14827	2.3
169.10162	2.3
171.11691	4.9
173.11760	12.6
173.13304	9.1
175.14882	3.0
183.11794	3.8
185.13321	3.7
187.14835	3.8
197.13281	3.0
199.14952	2.6
201.16388	2.0
210.76575	1.1
213.14812	1.9
225.16402	1.3
229.82133	1.3
231.17592	1.3
241.19460	1.7
243.21103	2.5
259.20581	1.6
261.22141	6.3
271.20609	2.8
285.22256	3.0
297.22189	1.5
299.23779	2.4
310.83792	1.2
317.24783	1.3
329.24579	1.9
344.83011	1.1
369.32007	1.2
377.26932	2.8
379.29962	7.9
391.28510	2.2
397.30972	14.1
415.32141	4.4
435.32608	1.2
440.34570	1.1
471.34619	15.4
489.35831	100.0
490.36383	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45002	1.2
53.03942	1.7
55.05508	14.9
57.03434	5.3
57.07073	1.3
59.04990	1.6
67.05500	57.4
68.63616	1.1
68.84924	1.2
69.03419	1.6
69.07063	16.1
69.71821	9.9
71.04981	3.2
79.05486	24.3
81.07051	39.2
82.37663	1.3
82.58899	1.6
83.04973	2.0
83.08617	8.7
85.06535	1.4
91.05472	24.4
91.05988	2.4
93.07040	34.2
95.04980	3.4
95.08601	25.4
97.06526	1.8
97.10181	5.7
98.20733	2.6
105.07022	27.3
107.08586	18.9
109.06514	1.3
109.10145	28.0
111.08057	1.3
112.15496	1.4
115.05531	1.8
117.06990	8.8
118.84138	1.2
119.08567	25.4
121.10120	16.1
123.11696	2.2
125.09649	2.6
129.07050	3.9
131.08565	16.5
133.10123	17.2
135.11696	11.8
137.09618	2.2
141.07021	1.9
143.08572	7.7
145.10118	16.7
147.11671	13.1
149.13290	5.3
155.08580	3.2
157.10120	6.1
159.11687	13.5
161.13297	7.8
165.84145	1.3
169.10173	3.7
171.11726	8.4
173.11774	7.0
173.13303	8.7
175.14903	4.0
183.11714	4.1
185.13278	4.1
187.14847	5.8
197.13345	4.2
199.14902	4.5
201.16455	1.9
211.14905	2.0
213.14774	1.8
213.16600	2.5
225.16377	2.0
239.17885	1.9
243.17480	1.7
243.21178	1.4
245.18996	1.6
259.20660	1.3
261.22263	2.3
267.21030	1.3
271.20575	1.5
285.22000	2.6
287.23758	1.5
291.47525	1.5
299.23764	1.7
311.23972	2.1
314.32474	1.3
315.23370	2.5
333.58670	1.4
377.27219	1.7
379.29932	11.3
388.06305	1.5
391.28412	1.7
397.30975	14.9
415.32297	5.7
471.34622	15.7
489.35840	100.0
490.36032	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01878	1.5
55.05503	17.4
57.03425	4.6
57.07074	3.4
59.04991	2.4
65.03951	2.4
67.05499	82.6
69.07061	16.0
69.65819	1.4
70.78596	4.5
71.04994	3.2
79.05489	29.3
81.07049	41.9
83.05001	1.6
83.08602	10.8
85.06536	3.3
91.05472	26.0
93.07036	35.0
93.07591	2.7
95.04955	5.1
95.08600	30.2
95.09204	1.6
97.06551	4.2
97.10173	4.1
105.07023	24.6
107.08582	20.9
109.06548	3.0
109.10143	49.9
111.08080	3.5
117.07021	10.5
119.08572	28.9
121.10123	19.6
121.10880	1.9
123.08011	2.9
123.11723	2.3
125.09602	3.3
129.07007	5.2
131.04929	1.4
131.08560	21.3
133.10106	18.0
135.11671	12.5
137.09621	3.9
139.11192	2.1
141.06975	2.6
143.08577	7.4
145.10114	17.1
147.04399	4.0
147.11661	14.0
147.12566	1.3
149.13260	7.1
155.08556	3.2
155.10643	2.6
157.10115	6.6
159.11674	11.7
161.13264	8.3
163.14832	2.5
169.10110	2.6
171.11765	5.9
173.11766	11.2
173.13289	9.5
175.14836	3.8
181.10120	2.6
183.11717	2.7
185.13257	4.6
187.14857	6.3
195.11734	1.8
197.04459	1.5
197.13287	3.0
199.14885	5.2
201.16379	1.5
213.14900	1.6
224.34564	1.5
225.16379	2.9
239.18073	2.1
243.21260	1.3
259.20544	2.1
261.22134	5.0
267.21167	1.6
273.21951	2.1
285.22153	1.7
287.23654	1.6
313.25330	2.0
317.24860	1.8
379.29767	10.2
391.28354	3.4
397.31000	12.0
415.32224	4.6
468.77295	1.5
471.34671	12.1
489.35883	100.0
490.36169	3.7
499.86258	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63027	1.9
53.00316	1.9
53.03942	3.2
55.01879	3.9
55.05508	21.5
57.03432	25.5
57.07071	89.6
57.07358	4.4
61.02914	4.3
65.03941	2.8
67.05499	66.1
69.03432	12.4
69.07066	27.4
70.07293	7.8
70.07712	3.8
71.01349	40.1
71.04974	3.2
71.08625	65.4
73.02527	4.1
73.02911	48.0
75.04472	3.1
75.19999	1.9
79.05476	15.9
81.07047	61.8
83.01356	3.0
83.04976	2.8
83.08614	37.8
85.02896	100.0
85.06538	2.7
85.10172	40.2
87.00869	2.1
91.05470	12.1
93.07028	17.5
95.01318	13.1
95.04984	2.6
95.08592	77.8
97.02885	36.8
97.10170	17.0
98.20744	2.8
99.00810	9.6
99.04453	5.8
99.11710	2.9
101.02357	11.0
103.03941	12.9
105.07012	11.3
107.08598	10.7
109.10143	47.1
110.77478	2.4
111.11709	4.3
113.02357	36.0
117.01810	3.2
117.05529	3.0
117.07018	4.5
119.08578	16.1
121.10152	7.7
123.00807	3.9
123.04417	2.5
123.11694	15.0
125.13229	4.5
129.05412	3.1
131.03391	25.4
131.08548	7.5
133.10104	10.6
135.11705	6.2
137.13226	6.9
141.01816	36.6
143.08496	3.9
145.04947	6.3
145.10114	7.3
147.04381	5.1
147.11684	6.0
148.23868	2.0
151.14836	3.9
155.30751	1.9
159.02899	13.0
159.06534	6.3
159.11665	7.0
161.13310	2.7
165.16458	3.1
169.04930	10.4
171.06558	3.3
173.11717	6.2
173.13156	3.0
185.13263	2.6
187.06042	3.5
197.04469	8.6
215.05486	18.5
221.22610	4.9
239.23700	56.0
257.24716	5.8
313.27341	93.3
314.27652	3.5
355.28510	14.2
397.30536	2.6
452.89346	2.3
453.28485	3.5
471.29172	3.6
471.34982	4.1
489.30334	15.3
489.36664	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01859	0.8
55.05511	4.0
57.03436	2.5
65.03941	1.6
67.05499	15.4
68.59125	0.3
69.07063	4.3
71.04974	0.6
71.17762	0.9
79.05490	7.4
80.45618	0.3
81.07050	16.4
82.07381	0.4
83.04971	0.7
83.08621	3.8
85.06527	0.8
91.05473	14.4
93.06441	0.4
93.07030	7.6
95.04959	1.1
95.08597	15.2
97.06527	2.6
97.10134	1.1
97.50520	0.3
99.08099	0.4
105.07035	2.8
107.08585	4.2
107.82453	0.3
109.06525	0.4
109.10142	6.6
111.08076	1.1
117.07021	0.8
119.04935	24.8
119.08570	2.1
121.10146	6.3
123.04415	0.5
123.11700	3.1
125.09615	0.7
129.05492	0.4
131.08546	1.3
133.10112	4.7
135.11700	3.9
137.09607	1.2
137.13203	0.8
139.11209	0.4
145.10120	1.5
146.06766	0.3
147.04396	100.0
147.11685	1.3
148.04742	1.4
149.13237	1.2
151.11192	1.7
159.11685	1.1
165.05472	12.3
169.12196	0.3
173.13280	0.9
186.74382	0.3
187.13220	0.4
187.14851	0.9
195.13802	0.3
215.17938	4.1
221.08055	1.0
233.18971	2.9
235.20775	0.3
235.29646	0.3
251.20033	4.6
251.98773	0.3
276.70941	0.3
310.34735	0.4
325.23706	17.0
462.88245	0.3
489.28464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28988	0.5
52.82946	0.4
55.01868	0.5
55.05506	2.7
57.03424	2.3
65.03942	1.4
67.05151	0.8
67.05501	11.1
69.07059	3.2
69.38075	4.8
79.05489	5.6
81.07050	11.6
83.04976	0.8
83.08601	2.2
84.82047	0.5
85.06516	0.7
91.04943	0.8
91.05472	10.4
93.07039	5.6
95.08598	11.3
97.06507	1.6
97.10141	0.8
105.07018	1.4
107.08575	3.1
109.10138	4.2
111.08080	1.1
118.86221	0.5
119.04940	19.9
119.08558	1.3
121.10146	5.4
123.11688	2.1
125.09651	0.5
131.08569	0.8
133.10136	3.2
134.74355	0.4
135.11665	2.6
138.95387	0.4
145.10078	0.9
147.04399	100.0
147.11650	0.7
148.04721	1.1
149.13246	0.8
151.11162	1.3
154.58521	0.5
159.11668	0.9
165.05467	17.1
165.06844	1.0
215.17908	2.5
221.08099	1.1
233.19066	2.6
246.71640	0.5
251.20035	3.8
255.96323	0.5
265.10727	0.5
307.40668	0.5
325.23715	16.0
471.26550	0.5
489.28516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30851	0.2
53.00298	0.7
55.01859	0.9
55.05490	0.3
65.03918	1.2
67.05492	1.2
68.99775	0.9
69.03426	0.3
69.45922	0.2
70.06572	0.3
73.02897	0.3
79.05470	0.2
81.07042	0.3
83.04963	0.3
84.24913	0.2
91.05473	1.8
93.03397	0.5
93.07034	1.0
95.04959	0.4
95.08586	1.0
101.02362	0.5
107.04932	0.4
109.10135	0.5
111.00797	0.7
111.04436	1.9
115.03885	0.2
117.78044	0.3
119.08565	3.1
121.02847	1.3
123.04439	1.2
127.03893	0.4
135.04362	0.4
137.05975	0.3
137.09595	2.0
139.03885	100.0
140.04175	1.0
149.05948	0.3
151.03894	5.3
153.05446	0.4
161.06010	0.3
163.03885	5.9
165.09079	0.4
177.05443	0.4
179.03389	0.4
179.06978	0.7
201.11205	6.2
202.05922	0.2
205.04945	1.9
223.13499	0.2
229.04900	0.3
229.53049	0.2
267.10345	0.3
289.07034	9.8
294.33047	0.2
321.13422	0.3
333.13303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
56.96560	32.8
57.03439	2.2
57.88534	1.0
61.02914	2.3
69.03412	4.2
69.32057	1.1
71.70105	1.0
71.70458	1.6
74.84215	1.0
81.03403	3.0
84.96030	6.9
85.02901	13.8
97.02898	5.7
98.97576	52.3
109.02822	1.3
110.97558	9.5
111.85316	1.0
112.99123	1.6
116.98615	41.2
119.01909	2.2
127.03918	3.7
128.29083	1.1
128.98608	24.9
131.00165	3.2
131.01921	1.5
134.99652	20.7
140.00198	1.9
143.00162	5.8
145.03387	2.0
145.04941	2.8
146.99640	25.4
149.01236	4.1
152.00087	1.1
152.98572	6.5
153.00716	1.4
153.01817	6.7
155.01875	2.3
156.98010	7.1
157.01740	1.4
158.99651	18.7
161.01208	12.8
161.02663	1.5
161.02914	1.3
162.99097	1.3
165.00690	4.3
170.99651	12.3
173.01250	1.8
173.02945	2.0
174.99138	56.2
177.00690	30.9
179.02248	4.2
182.99728	1.5
185.02953	1.4
189.00711	7.2
193.00197	100.0
195.01788	2.6
198.00716	5.3
200.02292	2.5
201.00728	7.2
203.04028	1.7
207.01698	2.2
211.01202	8.3
216.01825	4.5
217.00154	21.9
217.02078	2.0
219.01746	54.5
221.05005	5.7
226.98470	1.3
229.02019	1.9
235.01219	12.9
237.02808	70.0
238.03246	1.3
241.00127	3.6
242.03349	3.9
244.99585	5.4
247.01051	1.8
247.03215	1.8
247.06601	2.6
252.99991	5.2
255.03807	7.2
257.05048	3.2
258.02798	2.7
259.01233	11.5
260.04453	4.7
261.02802	1.2
263.00684	7.9
271.01175	2.6
273.04553	3.2
275.06030	4.1
279.03897	1.4
287.00983	1.5
289.02203	1.1
293.07083	1.7
301.02390	6.8
305.01569	1.1
319.03317	97.1
320.03693	2.2
321.06372	1.5
323.01007	1.1
337.04456	10.5
342.04980	2.3
345.01486	2.1
355.05176	3.4
360.05942	3.3
371.02893	4.4
373.06119	1.8
389.03903	9.8
489.06067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70866	1.3
56.96560	18.6
67.05482	1.9
71.71989	2.5
81.07038	2.7
91.05428	1.5
92.26724	1.5
95.08578	3.3
109.10141	1.8
121.05216	1.4
139.03844	1.8
163.03879	2.0
165.01018	1.3
172.94299	3.8
181.04938	1.4
190.95334	5.8
211.07501	7.9
224.08345	3.2
225.09024	1.8
237.08977	7.7
241.08855	1.6
251.06783	1.8
251.10576	2.8
253.01572	1.9
271.02701	2.0
272.03485	2.2
273.04245	5.5
285.04147	3.3
289.07043	1.6
293.15311	27.8
298.05212	2.2
299.05768	2.1
301.03793	3.1
303.05206	3.5
312.06104	1.9
313.03934	1.8
313.07471	1.8
316.06104	1.5
317.08408	1.4
335.09283	2.0
337.11041	8.2
341.10532	2.6
343.08319	1.9
349.11047	3.1
351.09250	2.7
352.09769	6.9
353.10535	11.6
354.11249	1.8
355.08069	2.0
355.12164	24.2
359.11517	2.8
367.08310	3.1
367.12119	13.2
369.10089	4.8
370.10776	8.2
371.11615	22.8
373.13440	7.1
378.13834	2.2
381.09940	2.1
385.08609	3.0
385.13232	45.4
387.11322	2.1
388.11847	8.5
390.13370	2.0
399.11218	2.5
403.14240	11.6
408.14865	5.4
447.07779	23.4
465.08887	100.0
466.09079	2.9
479.48895	1.4
483.09906	66.6
484.10107	2.4
488.10461	18.3
506.11493	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.0
53.03942	9.6
55.01870	4.6
55.05510	24.1
57.03438	4.5
57.07056	1.3
65.03946	4.8
67.05500	69.8
69.03420	1.4
69.07063	12.6
69.75211	1.7
69.75623	4.5
71.04986	3.2
73.06545	3.1
77.03907	1.9
79.05490	100.0
81.03419	14.9
81.07053	63.1
83.04972	18.1
83.08614	8.0
85.06519	4.3
89.51324	0.9
91.05474	81.5
93.07039	80.3
95.04964	33.7
95.08601	35.4
95.09212	2.0
97.02840	1.4
97.06518	6.4
97.10155	5.6
103.05465	2.8
105.04481	2.0
105.07024	54.5
107.04943	10.0
107.07836	1.2
107.08585	24.6
109.06520	9.1
109.10134	6.9
111.08105	2.6
115.05451	2.3
117.07014	13.6
119.08573	35.7
119.09433	2.1
121.06490	4.3
121.10133	7.6
123.08074	9.0
127.07565	1.5
128.06223	5.6
129.07002	22.5
130.07777	1.5
131.08553	8.5
133.06459	1.7
133.10123	17.1
135.08066	1.3
135.11674	6.8
137.09605	2.1
141.07021	1.5
143.08536	12.2
145.10097	15.0
147.08022	3.8
147.11684	45.2
155.08540	2.0
156.09344	1.2
159.11655	1.8
161.09668	4.9
161.13248	18.9
163.11153	2.5
165.09265	1.0
169.10051	2.5
171.11684	37.4
173.13214	1.4
179.14256	4.5
187.14850	1.5
189.12747	17.0
197.13196	1.3
207.11821	2.1
207.13789	38.2
225.14845	8.7
233.15376	6.9
263.16394	1.8
281.17465	3.5
323.13113	1.4
387.28516	0.9
469.29428	2.1
487.30441	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0842
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
54.61223	0.5
58.18328	0.6
69.73526	0.5
70.08256	3.2
71.04980	1.1
85.02888	2.1
86.09701	0.9
86.42147	0.5
111.49374	0.5
130.78090	0.5
133.26414	0.5
169.04729	5.0
177.05467	1.0
185.04196	13.3
185.05724	1.1
203.07149	0.6
212.07437	0.8
312.07477	0.6
324.02368	4.5
325.03131	7.4
340.01791	0.6
341.02658	31.8
342.02689	0.7
342.06284	0.8
376.00552	0.6
382.05219	1.2
487.08441	100.0
488.08746	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	487.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
68.93745	0.3
69.03421	1.2
70.93530	0.4
71.44360	0.6
71.44703	0.5
73.45288	0.4
74.00648	0.5
76.03988	0.9
79.94760	0.3
80.04980	0.3
83.06078	0.5
84.04494	5.6
84.08121	0.6
85.02892	0.4
85.04004	1.2
86.06044	1.8
87.04459	17.3
91.05487	0.9
92.01687	0.6
93.05769	3.2
94.06570	1.1
99.02724	0.5
99.05572	0.8
106.06523	1.1
107.07317	0.8
112.03907	0.4
119.04932	0.7
120.08087	1.2
122.03655	0.5
122.06002	0.4
124.02152	0.4
126.03726	14.2
127.02152	0.6
130.04976	2.6
131.04590	0.6
132.08075	3.3
133.08838	2.4
134.09612	0.8
135.02635	1.0
137.06007	3.8
138.03706	1.5
145.06187	0.5
147.04405	1.8
150.09106	0.7
151.07521	1.5
152.05251	2.5
160.07529	1.5
161.06102	0.4
161.08348	2.8
163.07535	0.8
164.07050	0.7
164.10681	0.7
166.06857	11.4
168.04768	1.5
175.07552	0.6
176.05234	1.4
177.03304	5.2
177.09047	0.4
178.08656	0.5
179.06952	1.3
179.09361	2.5
180.04750	1.3
180.10179	6.0
181.06107	0.5
182.11743	1.2
184.07898	2.6
185.03799	2.2
194.06349	16.1
196.07899	0.4
212.07384	100.0
213.07722	1.7
214.08870	0.7
220.07889	1.0
231.04318	6.6
238.08995	5.5
248.07385	1.5
255.11667	5.6
265.10141	2.0
266.08447	9.7
283.11081	5.0
287.14020	0.6
288.06354	0.8
288.14685	0.7
291.12497	0.5
306.07526	0.5
321.12631	1.1
358.14288	10.4
363.05472	0.4
394.14236	0.9
412.15222	0.5
469.17599	0.8
487.18304	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	486.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01874	1.8
55.05501	8.8
56.05033	2.0
57.03430	1.2
58.99579	14.5
60.79767	0.9
65.03910	1.7
66.35901	0.9
67.05158	1.7
67.05499	32.8
69.03414	1.8
69.07069	5.7
70.76460	2.0
71.04996	1.6
73.01108	1.3
76.02222	67.5
76.03983	3.1
79.05483	9.3
81.07054	30.0
83.06075	3.1
83.08606	2.6
84.04494	21.6
84.97390	1.0
85.01103	1.2
86.99039	3.8
87.02682	1.7
88.02182	1.4
91.05476	7.3
93.07043	9.5
95.04967	3.7
95.08601	47.0
96.08911	1.1
97.06534	2.0
99.05566	1.5
105.07040	7.6
107.08585	5.4
109.06502	3.8
109.10146	31.8
110.73511	1.0
111.02657	1.3
113.04241	1.5
116.01667	24.1
119.08565	11.7
121.10133	2.6
123.08080	3.0
129.06627	3.7
130.04993	6.3
130.06868	4.3
131.08574	1.2
133.10107	4.4
134.09612	2.8
135.11696	2.3
137.09599	4.7
139.05766	2.8
141.04797	1.0
142.03201	6.5
144.01149	14.0
145.06116	2.2
151.14821	19.5
161.09550	1.7
161.13252	12.0
162.02196	48.1
167.05229	1.7
170.02687	3.6
178.16019	1.5
179.04843	100.0
179.14304	31.5
187.05414	1.9
197.71022	1.0
203.14302	3.8
215.04877	1.8
216.06775	1.7
219.11935	1.0
221.99011	1.0
233.05894	15.6
233.09442	2.4
236.14638	5.8
237.13141	5.3
245.05876	4.0
290.17514	2.2
291.06516	1.1
304.47986	1.1
308.09131	15.1
339.17422	13.0
357.18533	1.8
393.18311	3.1
411.19391	15.7
455.97717	1.0
468.21677	6.5
486.22482	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	486.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01873	1.4
55.05499	7.9
56.05029	2.0
57.03428	1.9
57.07067	2.7
58.99307	1.4
58.99582	14.4
64.46740	0.8
64.80222	1.0
65.03927	1.5
67.05498	36.7
69.03417	1.6
69.07063	4.2
70.52463	2.4
71.04996	1.7
76.02219	66.4
76.03986	2.8
79.05488	8.9
81.07049	29.5
82.78934	0.8
83.04964	2.2
83.06075	5.0
83.08614	2.5
83.61266	0.8
84.04497	22.8
85.01114	1.9
85.06545	1.3
86.99038	6.1
87.02667	1.3
88.02207	2.1
91.05470	8.3
91.70281	0.9
93.07034	11.5
95.04964	3.9
95.08598	46.5
97.06505	1.3
98.21416	1.0
99.05594	1.4
105.07013	9.0
107.08562	6.2
109.06512	4.4
109.10147	31.2
112.03978	1.1
113.04205	2.4
116.01666	27.2
117.06979	1.4
119.08580	11.8
121.10143	4.8
123.08074	4.7
129.06593	4.4
130.04991	6.1
130.06874	3.6
130.08603	1.3
133.10103	4.7
134.09645	2.2
135.08015	0.9
135.11659	3.1
137.09601	4.3
139.05717	2.3
141.04761	0.9
141.07359	1.0
142.03206	6.4
144.01115	13.6
145.06116	1.7
151.14818	20.2
151.16006	1.8
161.13254	10.4
162.02191	45.0
167.05379	1.1
170.02734	2.9
176.14301	1.4
178.15968	1.2
179.04840	100.0
179.14305	39.5
187.05359	4.5
215.04698	1.1
216.06833	2.2
219.12172	0.9
233.05890	17.7
233.09526	1.8
236.14653	2.7
237.12990	2.5
245.05945	3.1
290.08002	1.2
291.06296	1.7
308.09052	14.4
339.17307	13.2
393.18301	1.8
411.14496	1.7
411.19467	19.3
468.21832	4.1
486.22604	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	485.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32045	2.6
55.05496	9.0
55.70706	3.7
56.39812	3.6
57.07054	7.1
67.05500	19.1
69.07056	15.1
69.88645	18.0
71.04984	6.6
79.05461	6.6
81.06709	3.0
81.07062	33.5
83.08624	4.6
90.21381	2.7
91.05463	13.6
93.07028	26.6
95.08604	69.8
99.08088	7.2
105.07024	21.3
107.08578	50.3
109.10133	49.6
115.29226	2.9
119.08573	44.9
121.10142	57.5
123.11666	19.8
127.11176	11.5
132.45441	3.3
133.10110	39.0
135.11682	36.8
137.13206	6.9
145.10117	10.9
147.11687	24.8
149.13240	29.5
156.54332	3.4
159.11685	14.4
161.13297	21.5
163.14813	9.2
173.13206	6.1
175.14777	12.9
177.16454	6.1
186.96835	3.7
187.14778	4.2
188.65425	3.1
189.16367	14.7
191.17937	100.0
192.18503	3.4
200.20151	3.5
201.16376	10.6
203.17938	19.1
204.65210	3.2
205.19463	4.6
215.17894	4.7
217.19496	37.2
263.23816	3.9
407.36691	12.4
425.37845	26.2
485.30591	11.3
485.47668	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	485.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
57.07072	3.8
60.94201	1.3
67.05488	8.5
69.07046	5.3
70.06597	2.8
71.72665	1.2
71.73087	1.7
79.05485	11.2
81.07046	7.7
83.08595	2.0
88.07615	2.4
91.05463	13.6
92.39252	1.2
93.07030	14.3
95.04970	1.4
95.08592	9.5
97.62128	1.1
102.09180	2.3
105.03375	10.1
105.07031	5.6
107.08585	7.3
109.10142	5.9
117.07033	2.1
119.08620	2.6
121.10143	7.3
129.06992	2.1
133.10097	2.4
135.11609	1.8
139.07584	1.7
145.10097	1.4
147.88298	1.4
151.07599	2.1
155.08546	1.8
161.09677	1.4
167.07053	3.5
172.28966	1.2
181.08597	2.7
187.14691	1.4
189.09270	1.9
200.20076	2.9
201.20383	1.5
205.08658	4.5
219.00139	1.5
219.10178	1.6
228.23262	3.1
230.10837	1.3
249.12627	2.3
276.11533	1.8
283.13150	1.8
283.26242	2.0
291.13782	3.0
294.12469	4.6
309.14880	14.6
311.29514	2.3
312.29782	2.4
322.96411	1.3
335.16583	1.5
425.64014	1.4
447.19702	1.3
484.47379	4.5
485.30481	100.0
485.47501	15.6
486.30939	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	485.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.7
55.01865	1.3
63.60254	0.9
65.03919	2.0
67.05505	1.7
68.99788	1.5
69.03426	14.8
69.58517	3.0
69.58940	4.0
71.34853	0.8
72.26416	0.9
79.01842	2.2
79.05470	1.3
84.96407	0.8
91.05453	2.0
95.04952	3.2
107.04923	5.1
107.95030	0.8
108.05298	1.4
111.04441	1.9
113.34377	0.8
118.82529	0.9
119.04938	2.5
121.02839	1.7
121.06531	1.4
122.06015	0.9
123.04433	4.9
125.02301	1.6
127.03896	1.2
131.04974	1.0
133.02858	2.4
135.04396	2.6
137.05925	1.4
139.03885	100.0
140.04218	3.4
141.05452	2.7
142.69479	0.8
143.03355	3.9
147.04353	4.7
149.05980	3.7
150.05438	1.0
151.03899	15.0
153.01813	23.2
153.02808	1.2
153.05472	4.0
159.04370	2.1
160.30164	1.0
161.05963	1.5
163.03903	8.7
164.07111	1.1
165.05458	62.7
177.05461	13.5
178.04912	2.0
179.03371	8.0
179.04958	1.4
180.03719	1.1
181.04941	2.7
183.03064	0.9
195.06479	2.4
196.06030	16.5
196.07777	1.3
197.04462	56.2
197.06358	8.7
205.04927	7.3
210.05830	2.2
231.06592	0.9
243.77350	0.9
289.07034	3.3
297.07660	1.4
315.08423	8.7
323.11029	1.1
333.09625	14.6
346.09064	1.0
347.09628	1.2
485.12283	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	485.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	2.6
57.23676	1.2
71.68183	1.5
98.97575	9.9
105.15939	1.1
116.98618	10.8
119.01907	1.5
134.99637	8.3
156.64098	1.5
174.97673	2.8
177.00929	1.8
192.98688	4.8
194.98480	2.6
200.97253	1.2
216.98697	2.5
219.02037	3.0
232.96724	5.1
233.96806	1.8
234.96422	6.1
234.99858	6.6
236.99583	3.6
238.95985	1.4
240.98894	1.4
250.97758	6.3
251.97966	2.9
252.97516	8.2
256.96628	6.3
257.96738	3.0
258.96619	12.0
258.99625	9.5
260.00070	1.9
260.99796	6.4
261.03049	4.9
262.03204	2.5
263.02786	1.8
274.97696	24.3
275.97818	11.2
276.97562	36.9
277.00882	14.0
277.97940	2.3
278.01221	4.1
279.00751	6.6
282.96844	2.5
282.99997	9.3
284.00134	3.4
284.99710	13.1
285.99863	1.5
292.98779	6.7
293.98682	2.4
294.98651	8.5
298.97702	20.3
299.97906	7.2
300.97543	30.3
301.01068	21.4
302.01160	7.3
303.00879	20.4
304.01013	2.7
316.95456	1.4
316.98773	32.3
317.98959	14.7
318.44461	1.2
318.98608	67.3
319.98715	3.4
321.02029	1.9
336.99670	2.7
340.00421	3.7
342.00415	4.3
359.00027	4.1
360.00229	1.7
360.99771	4.4
376.97720	3.4
382.96609	1.3
396.94788	2.3
401.01511	2.0
402.01514	1.5
403.00980	5.1
404.01004	2.1
415.96109	1.3
417.98856	1.4
418.98984	12.3
424.97913	6.6
426.01950	1.4
427.00885	4.1
428.01129	1.4
440.99319	1.6
442.00037	4.1
442.98318	60.1
443.99103	4.7
445.02383	9.4
446.02048	1.9
459.00195	2.0
460.00116	4.6
460.99829	100.0
461.99954	8.8
462.95483	1.4
466.03894	1.3
468.03873	1.5
484.01373	12.6
485.01349	10.7
486.00189	1.7
503.02567	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	484.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75114	2.3
57.03413	5.9
57.86222	2.2
59.04983	2.7
69.03432	22.0
69.07056	4.1
71.08625	40.9
71.70203	3.0
81.07045	4.5
85.02900	13.6
86.09707	13.6
87.04458	12.0
92.68327	2.1
97.02879	18.3
99.08083	100.0
104.10728	20.1
115.03925	21.7
125.00003	4.6
129.12738	12.7
133.04970	18.8
137.19119	2.4
139.03906	9.1
155.14328	3.9
161.94276	2.4
173.15372	74.9
184.07288	14.5
199.20860	2.1
274.40170	2.9
295.10336	2.4
484.26727	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	484.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75114	2.3
57.03413	5.9
57.86222	2.2
59.04983	2.7
69.03432	22.0
69.07056	4.1
71.08625	40.9
71.70203	3.0
81.07045	4.5
85.02900	13.6
86.09707	13.6
87.04458	12.0
92.68327	2.1
97.02879	18.3
99.08083	100.0
104.10728	20.1
115.03925	21.7
125.00003	4.6
129.12738	12.7
133.04970	18.8
137.19119	2.4
139.03906	9.1
155.14328	3.9
161.94276	2.4
173.15372	74.9
184.07288	14.5
199.20860	2.1
274.40170	2.9
295.10336	2.4
484.26727	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	484.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06779	1.3
51.43511	1.6
62.67009	1.4
67.01839	1.4
67.05495	2.4
69.07053	5.3
71.71614	2.0
72.93705	1.4
79.05484	25.9
81.07053	2.8
91.05458	1.6
93.07038	2.1
95.04999	1.7
95.08559	1.4
103.05433	1.9
105.07007	2.5
107.04946	100.0
111.11718	3.9
121.06504	5.5
123.11697	4.2
131.04929	10.9
135.04396	26.0
137.05977	6.7
137.70888	1.3
143.08525	1.4
145.86954	1.4
149.05972	19.4
151.07639	1.5
153.05464	6.2
163.03897	31.6
163.07523	5.9
175.07539	8.4
177.05460	9.1
177.09074	2.3
189.09146	2.9
194.97881	1.3
195.06496	24.5
195.08032	2.5
203.07024	3.8
203.10590	2.2
209.06108	1.3
209.08063	4.4
213.79922	1.4
223.07513	5.3
235.09590	8.4
235.15222	1.3
237.09169	3.0
259.16949	22.4
259.89261	1.2
265.08636	1.3
268.90152	1.4
283.09549	2.3
287.16425	12.4
293.08151	6.3
307.09430	2.3
311.09073	5.7
328.19113	1.7
351.11957	1.7
382.64456	1.5
417.20743	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	483.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	5.6
70.80711	1.1
70.95886	2.3
85.02890	9.5
97.02895	3.7
99.04466	1.6
109.02879	1.9
123.80890	1.3
127.03889	3.0
139.03851	2.2
146.08394	1.9
153.01785	2.5
173.06984	1.6
174.07956	1.3
181.26814	1.2
183.09192	1.3
189.10228	3.3
195.09219	1.4
196.09892	9.9
197.10727	4.0
199.08748	1.9
202.10864	1.5
206.08371	21.7
209.07039	2.2
210.11525	1.9
211.12234	12.9
211.13763	1.2
220.09906	4.0
221.10696	8.8
223.08710	4.5
224.09372	7.0
227.08141	3.8
232.11971	1.7
237.10115	3.8
238.10938	6.1
238.48648	1.3
239.08112	1.9
239.11784	28.7
239.14108	2.6
241.09766	1.9
244.12106	3.3
252.09035	2.0
254.10606	1.4
256.98080	1.4
257.12878	8.1
267.11267	59.5
268.11670	2.0
272.11557	4.4
275.13913	3.6
285.12314	66.3
286.12701	1.6
290.12662	2.7
303.13367	100.0
304.13702	2.5
321.14423	18.9
483.19894	3.2
495.98108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1283
Annotation	CHEBI:70258
Peak:m/z	Relative Intensity
55.01862	0.5
65.03918	1.0
67.05502	0.3
68.99778	0.9
70.84660	0.7
77.54975	0.2
83.04951	0.7
89.03899	1.3
93.03378	1.0
97.02879	0.3
111.00776	0.4
111.04428	3.8
117.03365	2.9
123.04419	0.8
134.03633	0.4
135.04434	0.5
137.05879	0.4
139.03889	100.0
140.04253	1.6
145.02835	8.2
149.05959	1.1
151.03879	1.7
162.68385	0.3
163.03897	1.7
177.05460	13.6
179.07072	0.5
205.04950	1.8
268.86307	0.3
289.07095	2.6
384.36063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26238	0.4
56.96562	0.6
58.23006	0.3
60.37782	0.4
61.02882	0.3
71.69895	0.4
72.54291	0.3
75.72662	0.4
94.93005	0.7
96.35695	0.3
108.55004	0.4
112.89597	1.1
116.98695	0.4
124.99127	0.5
136.94032	1.2
143.00133	0.9
161.01099	0.6
162.95578	0.6
185.01306	0.5
189.00589	0.5
207.11540	0.4
217.60542	0.4
249.02861	0.9
253.00847	63.0
254.01143	0.8
268.98224	100.0
269.98535	1.7
309.04837	0.6
347.63022	0.4
396.97617	0.5
405.07056	0.9
423.07922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.4
65.03921	0.6
68.99760	1.6
69.38321	3.8
69.38737	0.9
71.04937	0.5
75.84409	0.4
81.03376	1.2
89.03886	0.5
91.05462	2.6
93.03388	0.5
95.04959	5.0
97.02861	0.4
99.23645	0.4
103.05421	0.5
105.07043	0.4
107.04916	1.8
108.02086	1.9
109.02318	0.5
109.02871	5.2
111.00783	1.5
111.04395	1.5
117.03326	1.6
119.04927	8.8
121.02831	1.1
121.06506	0.6
123.03519	0.7
123.04411	11.8
126.03101	0.6
128.99709	0.3
135.04428	0.6
137.02324	3.1
139.03882	42.6
140.04233	0.5
145.01881	0.3
145.02864	2.9
147.04402	4.2
149.05974	0.6
151.03850	1.3
153.01807	19.7
161.05943	0.5
163.03847	1.8
165.01825	2.7
165.05444	4.9
166.02513	0.7
177.05432	6.7
179.03358	1.7
183.02885	1.2
189.05394	0.9
191.03375	0.7
192.04164	0.9
194.36101	0.5
195.02817	0.7
203.03342	1.4
205.04951	4.2
206.05688	3.5
207.02744	0.5
208.03641	4.9
216.04202	2.1
217.04976	3.4
219.02864	23.9
219.76053	0.4
220.03528	0.6
231.02968	0.5
232.03682	0.6
233.04436	12.8
234.05154	2.3
243.02855	2.8
244.03612	6.0
245.04413	5.9
247.02325	1.6
253.25610	0.4
255.02803	0.4
261.03928	5.4
262.04596	1.6
262.43356	0.4
272.03125	0.8
273.03931	4.2
287.05301	0.4
289.03491	6.2
289.06982	1.2
290.04166	8.3
295.73853	0.4
300.02762	0.7
301.03452	3.4
302.04355	0.4
317.02841	4.2
318.03674	100.0
319.04425	47.3
319.08353	0.5
320.04858	1.6
401.06680	0.5
437.08636	1.8
465.07999	2.6
483.09164	60.0
484.09445	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	482.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63106	0.5
56.96542	1.5
61.20661	0.6
65.20248	0.6
66.21237	0.5
69.83176	3.6
81.93992	0.5
95.96465	0.5
98.97571	6.1
114.15845	0.5
116.98608	6.4
132.96538	0.6
134.99638	4.9
149.46030	0.5
153.00702	0.9
160.49020	0.5
174.97644	2.7
190.95583	0.8
192.98727	4.6
198.97710	1.2
208.96657	1.3
214.95555	1.9
216.98691	3.3
219.02005	0.6
232.96661	12.6
233.96661	1.4
234.99799	7.0
236.99931	1.0
238.95670	1.2
240.98805	1.2
250.97737	16.6
251.97762	0.5
253.00880	0.6
256.96637	14.9
256.99176	0.9
257.96838	0.9
258.99869	6.8
260.00043	1.3
260.99921	1.2
261.02911	1.1
264.98981	0.8
273.99103	0.8
274.97714	61.0
275.97946	3.6
276.97858	1.6
277.00885	9.8
277.03726	0.9
278.01157	1.5
279.00787	1.8
280.96597	2.9
282.99908	11.7
284.00098	2.1
284.99799	1.8
290.95740	0.6
292.98752	13.8
293.98828	0.8
297.99323	2.8
298.97705	52.1
299.97949	3.2
300.02444	0.7
301.00995	20.5
302.01096	4.3
303.00778	3.3
304.00769	1.0
314.95776	0.7
315.02167	0.5
316.98776	100.0
317.98972	6.0
318.98706	1.9
319.02075	1.3
324.02585	1.2
332.96841	1.2
334.99872	4.4
340.00385	7.6
340.99045	1.6
356.96951	0.8
358.99960	5.4
361.00000	0.8
374.97900	2.4
382.01270	0.6
398.97812	3.0
401.01187	2.6
402.01199	1.9
407.00256	0.5
416.98871	10.7
417.99121	1.0
418.98489	0.8
422.97400	4.2
425.00995	3.0
426.01331	0.9
427.00751	0.7
440.98792	47.7
441.98907	4.3
443.02371	9.5
444.02325	2.1
445.02209	1.6
456.97153	0.7
458.99915	74.2
460.00070	6.2
460.99722	1.2
461.98685	0.6
466.03748	0.9
477.01520	0.7
482.01498	11.2
483.01550	7.7
484.01880	1.0
501.02325	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08395	1.1
53.64022	1.5
55.05490	4.6
57.03421	3.8
61.02908	3.0
67.05502	13.4
69.03422	3.2
69.07060	8.9
70.06567	1.6
71.04958	1.9
73.02895	1.5
73.31494	1.2
79.05483	7.7
81.07052	38.9
83.04952	2.4
83.08611	2.8
85.02890	4.2
85.06530	3.4
91.03963	1.4
91.05473	12.6
93.07055	6.0
95.04952	3.5
95.08606	8.5
97.02876	3.6
97.06515	2.1
97.10172	1.6
99.08056	2.5
105.07021	16.5
107.08579	7.7
109.06519	3.0
119.08573	16.9
121.02873	2.8
121.10140	11.4
123.04381	2.2
123.08031	2.0
123.11693	16.5
130.04980	1.3
133.10097	1.8
137.13173	1.8
139.03871	4.6
147.11674	43.1
153.01810	3.0
157.10124	1.4
165.12726	19.0
183.13776	2.6
189.06790	1.2
193.12215	1.9
211.13312	1.5
227.80830	1.3
229.14310	8.2
261.94162	1.2
267.15894	44.5
268.16364	1.9
273.04053	1.5
285.16943	100.0
286.17310	2.8
318.03717	2.4
319.04471	10.0
320.04800	18.1
373.61487	1.4
447.22101	1.6
483.09134	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68880	2.9
54.35282	2.8
55.05506	9.7
57.03432	9.9
61.02919	12.2
67.05503	9.2
68.86869	2.8
69.03423	8.8
69.07061	4.2
69.35566	2.7
70.06590	4.5
70.52372	6.9
70.52776	5.3
71.04997	8.8
73.02905	9.9
74.42521	3.0
79.05490	14.7
81.03410	51.0
81.07044	18.7
83.04983	10.4
83.08604	14.7
85.02895	35.5
87.04452	6.8
91.03934	6.6
91.05469	16.3
93.07043	14.1
95.04968	16.3
95.08578	5.0
97.02875	13.3
98.21448	3.5
105.07024	11.0
107.04958	5.2
107.08578	8.4
111.04491	3.1
111.08052	6.0
115.03906	6.6
119.08607	14.4
121.10154	4.2
127.03882	4.0
128.66025	3.0
129.06989	6.7
129.83727	2.6
131.08548	4.3
133.04906	8.1
133.10120	5.4
135.11713	7.3
137.05949	11.3
139.03882	31.0
147.11670	12.5
149.09669	4.9
153.01810	11.9
153.12711	24.9
154.02190	4.6
157.10123	10.7
163.03922	4.1
165.01784	4.8
175.11180	12.1
177.05441	4.0
181.08766	3.1
193.12227	51.8
211.13268	40.4
227.60815	3.3
245.04445	3.9
246.05003	3.7
267.15921	14.6
274.04160	5.9
285.16934	100.0
303.04968	6.6
317.06357	3.8
318.06863	8.5
319.04306	33.4
320.04675	66.1
321.04965	6.2
483.09039	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	481.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05509	11.0
57.03427	2.3
57.07075	30.7
62.99946	1.5
65.03924	3.3
67.05145	3.1
67.05501	51.9
69.07063	7.5
70.90376	1.4
71.04988	7.1
71.08626	23.4
79.05465	8.7
81.07052	100.0
83.08622	14.3
85.06537	11.2
85.10168	12.1
90.92191	1.7
91.05502	7.7
95.08598	21.7
96.48965	1.6
96.73302	1.4
97.10169	5.6
105.07034	4.7
107.08614	1.8
109.10149	12.7
111.11665	1.6
115.36868	1.5
123.11684	15.3
133.10141	6.7
137.13232	2.0
142.79857	1.5
145.69142	1.7
151.11121	3.7
169.12225	3.0
170.98552	1.6
187.13271	10.6
223.37558	1.5
227.63686	1.6
239.23714	4.9
258.47488	1.7
319.04666	2.4
472.95746	1.7
481.38864	72.7
482.39432	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	481.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01865	0.6
57.03426	1.4
58.17904	0.3
61.02922	2.2
68.99772	1.2
69.03426	5.6
69.61588	0.3
70.06592	0.3
70.22625	0.5
70.23043	1.2
71.04987	2.9
72.08146	0.4
73.02901	1.0
81.03412	2.1
85.02900	14.3
85.47180	0.4
87.04449	0.7
90.23258	0.3
91.03941	0.8
95.73499	0.3
96.53855	0.3
97.02889	4.2
99.04432	0.7
109.02864	2.6
111.00780	2.3
111.04389	0.4
112.84705	0.3
113.40143	0.3
127.03896	3.2
129.05463	0.5
131.80019	0.4
137.02332	2.2
139.03893	1.3
145.04945	1.5
147.04399	0.6
151.03917	0.5
153.01817	12.7
153.05464	0.4
161.06004	0.4
165.01817	4.0
165.44925	0.3
166.02634	0.5
169.01256	0.5
177.05475	0.5
179.03358	2.0
183.02872	1.0
189.05440	0.7
195.02878	0.8
199.03931	0.7
203.03484	0.7
207.02792	0.6
217.04955	4.0
219.02774	0.5
221.04497	0.4
227.03366	0.6
229.05118	0.4
245.04471	5.3
255.02911	0.7
263.05450	1.0
273.03964	4.7
290.04117	1.2
301.03458	1.5
311.01147	0.4
318.03683	0.5
319.04462	100.0
320.04849	1.3
335.03940	6.5
343.04337	0.6
361.05447	0.6
403.27548	0.3
462.56656	0.4
478.95349	0.4
481.09790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05510	15.2
57.06806	2.0
57.07072	36.4
59.42349	1.2
65.02217	0.9
65.03944	2.5
67.05502	54.7
69.07068	9.4
71.04987	7.8
71.08252	1.6
71.08626	26.3
71.32008	1.8
71.32334	1.4
79.05489	11.1
81.07051	100.0
83.08618	12.9
85.06541	12.5
85.10175	13.8
91.05495	7.3
93.07027	2.8
95.08607	24.3
97.10146	4.5
105.07019	4.0
107.08600	2.9
108.73101	1.1
109.10139	15.3
114.45046	0.9
123.11694	17.8
133.10112	12.3
137.13225	2.9
151.11162	6.0
169.12230	2.7
187.13309	16.5
221.22682	1.8
239.23689	7.7
242.11432	1.1
279.16644	1.0
383.15750	1.2
420.44421	1.0
481.38885	86.8
482.39282	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	481.0976
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
52.94144	0.1
53.03947	0.1
55.01848	0.2
61.59927	0.1
65.03938	0.1
67.01850	0.1
68.99461	0.1
68.99792	1.2
69.03429	0.2
71.06039	0.2
79.01814	0.2
81.03389	0.3
85.02895	0.2
93.03379	0.1
97.02865	0.2
105.03357	0.1
109.02866	1.2
111.00802	2.7
111.04404	0.3
114.85692	0.1
121.02848	0.3
121.06453	0.2
123.00800	0.1
123.04401	0.1
125.02298	0.2
126.03105	0.2
127.03869	0.5
133.02808	0.1
137.02332	2.1
139.03877	0.5
147.04359	0.3
149.02290	0.2
153.01814	11.8
153.05307	0.2
154.02106	0.1
161.02319	0.2
161.05957	0.3
163.03851	0.1
165.01830	4.0
166.02608	0.8
171.03001	0.1
171.04414	0.3
175.03857	0.2
177.05444	0.3
179.03384	1.6
181.01236	0.1
183.02898	1.1
189.01779	0.2
189.05461	1.0
192.49297	0.1
193.01306	0.2
193.04942	0.1
195.02869	0.8
199.03922	0.5
203.03381	0.6
205.04820	0.1
207.02850	0.4
207.06577	0.2
208.03696	0.2
209.04364	0.1
217.04955	4.3
218.05341	0.1
219.02921	0.4
221.04546	0.4
223.02226	0.1
227.03273	0.4
229.04915	0.3
231.02950	0.4
232.03662	0.2
233.04559	0.2
235.02281	0.3
235.05995	0.3
239.01845	0.2
244.03648	0.3
245.04440	6.0
246.05038	0.2
255.02898	0.8
257.04449	0.1
259.02505	0.1
263.05408	0.7
272.03091	0.3
273.03906	5.3
274.04214	0.1
283.02371	0.1
290.04187	1.3
291.04913	0.3
297.72968	0.1
301.03421	1.4
306.46484	0.1
319.04456	100.0
320.04773	2.3
481.09579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0973
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
50.19141	0.6
53.03917	0.8
56.77877	0.6
61.02669	0.5
61.02924	7.5
68.54456	0.6
68.99789	1.8
69.03406	1.8
70.09670	2.0
70.10082	1.6
73.02900	2.3
85.02891	6.7
90.01167	0.7
91.03427	0.8
91.03947	3.8
92.81931	0.6
97.02896	4.1
99.12495	0.7
109.02866	0.9
111.00784	3.7
127.03979	0.9
137.02307	2.9
145.05109	0.7
151.18515	0.7
153.01825	13.0
160.96692	0.8
165.01834	4.2
177.05551	1.0
179.03355	2.0
183.02972	1.6
189.05461	1.4
203.03291	1.0
217.05046	4.7
227.03604	0.8
245.04338	5.3
255.02913	0.9
258.07065	0.7
263.05548	0.7
273.03931	6.3
276.75888	0.7
290.04218	1.1
291.04913	0.8
301.03397	1.1
319.04474	100.0
320.04831	2.7
377.49487	0.6
387.36050	0.7
408.66428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.9
53.03943	4.5
55.01863	4.4
55.05508	19.2
57.03432	6.2
57.07059	2.1
58.60271	0.8
65.03930	2.9
67.05500	62.6
69.03419	2.6
69.07062	21.5
69.72889	5.8
71.04979	5.4
73.06551	0.8
77.03909	1.0
79.05486	42.6
81.03413	19.1
81.07051	100.0
82.07406	1.0
83.04982	12.1
83.08614	17.5
85.02889	9.1
85.06519	6.4
91.05473	37.8
93.07037	48.4
95.04960	18.8
95.08595	23.9
95.09209	1.2
97.06522	10.3
97.10155	2.3
99.08067	4.0
101.06049	1.2
105.07022	33.0
105.07732	1.6
107.04927	3.1
107.08583	28.9
109.06518	5.7
109.10120	3.0
111.08068	6.8
113.05997	2.1
113.09611	0.8
115.05450	0.9
117.06998	7.9
119.08572	19.2
121.06500	1.4
121.10137	23.7
123.08045	3.5
123.11702	18.0
125.09624	2.4
127.07558	2.1
129.06963	4.9
131.08554	11.8
132.32802	0.9
133.06541	1.0
133.10129	10.4
135.08076	2.4
135.11688	5.9
137.13242	1.0
142.07806	1.1
145.10150	1.5
147.08014	1.8
147.11671	39.7
149.09610	2.6
149.13242	19.1
151.11165	1.9
157.10130	4.5
159.11671	8.3
165.12744	20.0
175.11136	5.1
177.12709	5.3
183.13821	2.8
193.12222	16.8
195.13783	11.5
211.13300	17.6
213.14886	1.8
229.14365	3.2
267.15891	25.0
269.17401	3.7
280.21375	0.9
343.22675	1.9
361.24176	1.0
369.24219	2.3
387.25204	2.9
442.37595	0.9
461.28653	4.3
479.30011	60.4
480.30377	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01868	3.0
55.05508	24.8
57.03430	10.0
57.07070	1.5
65.03938	3.3
67.05500	69.3
69.03422	3.5
69.07066	24.2
70.11030	8.2
70.11364	2.2
71.04986	5.5
73.88328	1.4
75.78253	1.5
76.05387	1.6
79.05488	48.5
81.03413	36.5
81.07051	100.0
82.07387	1.6
83.04972	11.3
83.08611	27.2
85.02898	15.1
85.06535	4.2
91.05471	45.5
93.07038	58.7
95.04963	29.9
95.08602	26.5
96.42844	1.6
97.02893	2.2
97.06527	11.4
97.10160	4.0
99.08085	4.0
101.32671	1.5
105.07018	29.6
107.04961	6.1
107.08580	32.2
109.06493	8.9
109.10172	5.1
111.04451	2.3
111.08082	10.5
113.06047	2.1
115.05325	1.4
117.07018	9.7
119.08572	19.5
120.41706	1.6
121.06507	3.5
121.10133	23.4
123.08023	2.2
123.11687	7.2
125.09634	3.5
125.56590	1.3
129.07030	8.7
131.08548	14.9
133.06543	1.5
133.10123	14.6
135.08040	2.0
135.11697	7.8
137.09593	3.1
139.11165	1.7
142.07777	2.1
143.08487	2.4
145.10118	2.4
147.08005	3.9
147.11684	21.0
149.09602	4.5
149.13254	25.0
157.10129	10.2
159.11684	11.9
165.12769	10.1
173.13318	1.7
175.11140	11.7
177.12772	4.7
183.13835	1.9
193.12225	37.6
195.13815	9.2
211.13274	40.2
211.15186	2.9
262.47739	1.5
267.15872	10.8
269.17459	3.5
270.03638	1.4
343.22705	2.7
369.24249	3.7
379.77316	1.6
387.25311	5.7
415.32507	1.5
461.29041	5.9
479.30038	65.9
480.29816	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	479.118
Annotation	Mearnsitrin
Peak:m/z	Relative Intensity
51.99964	0.7
57.03432	3.8
69.03413	1.4
70.82684	2.1
71.04987	28.1
73.02898	1.2
73.89768	0.7
75.04479	1.2
76.26344	0.7
78.11930	0.7
82.68719	0.8
85.02895	26.7
101.67062	0.7
111.00822	1.1
111.04430	0.7
129.05441	6.4
137.02238	1.1
139.03894	2.2
153.01825	7.1
165.01822	2.4
167.03401	1.0
183.02837	0.9
217.04947	2.3
219.02927	1.6
233.04410	1.4
244.03696	2.1
245.04555	3.7
273.03946	3.4
277.07172	1.2
289.03275	1.0
290.04071	1.6
301.00043	1.0
301.03271	4.6
302.04291	2.0
317.06546	13.8
318.03659	6.6
333.06027	100.0
334.06415	2.8
345.05829	1.4
375.07080	2.2
443.09720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2997
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
53.03932	5.6
54.42952	1.5
54.56137	1.2
55.01855	6.4
55.05508	26.3
57.03430	11.3
57.07064	3.1
57.35844	1.3
58.32509	1.4
62.06056	2.0
65.03928	3.1
67.05500	82.1
69.03400	4.6
69.07063	22.3
69.67438	5.5
69.67867	5.3
71.04974	6.1
73.02921	1.4
75.84969	1.4
79.05488	57.4
81.02948	2.7
81.03411	40.7
81.07050	100.0
83.04974	18.1
83.08611	27.8
85.02892	23.7
85.06528	5.4
87.41384	1.4
91.05469	60.9
93.07037	67.0
94.07383	2.1
95.04960	26.5
95.08598	34.8
97.02879	2.2
97.06522	14.7
97.10165	4.6
99.08070	4.0
105.04501	1.6
105.07014	34.8
107.04950	7.3
107.08588	35.1
109.06501	8.3
109.10139	5.6
111.04403	2.1
111.08084	14.8
115.05450	1.8
117.07004	12.2
119.08564	17.9
121.06472	3.4
121.10115	19.6
123.08056	5.1
123.11677	5.6
125.09642	2.9
127.07454	1.7
129.06975	11.3
131.08559	19.4
133.06456	2.8
133.10126	19.5
135.08040	3.0
135.11702	7.9
137.09615	1.7
139.11241	1.3
142.07790	2.5
143.08566	1.9
145.10123	3.7
147.08029	2.4
147.11664	18.2
149.09618	5.9
149.13237	28.6
151.11125	3.1
155.08507	1.9
157.10080	11.4
159.11685	11.3
165.12730	3.4
171.11609	1.6
175.11192	14.6
177.12767	5.0
193.12210	41.5
195.13797	11.9
204.17259	1.5
206.24309	1.6
211.13295	43.1
235.85384	1.4
267.15976	9.0
269.17459	5.9
294.56097	1.2
307.28320	3.3
338.27618	9.7
369.24011	2.6
387.25290	3.3
461.28912	9.6
479.29962	60.8
480.30212	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20713	7.2
53.03937	8.6
55.05501	22.8
57.03429	9.6
65.03915	6.2
67.05498	77.5
67.85139	6.7
69.07045	15.0
71.72855	8.7
79.05493	47.2
81.03406	20.9
81.07045	100.0
83.04969	16.3
83.08619	25.2
85.02904	8.3
85.63033	7.6
91.05458	38.5
93.07032	61.8
95.04970	14.3
95.08604	36.2
97.06508	10.0
97.10185	10.3
105.07018	25.5
107.04948	9.5
107.08578	31.4
109.06490	10.8
109.10130	15.2
111.08044	10.5
117.07030	8.9
119.08572	19.2
121.10130	19.1
123.11697	10.3
131.08539	10.3
133.10164	19.0
135.11693	21.1
147.04413	33.3
147.11671	15.1
149.13272	22.6
151.11168	9.2
163.11197	9.0
193.12234	17.1
195.13791	10.3
200.20085	12.0
211.13335	22.4
215.18147	7.2
219.17412	14.9
233.18967	9.6
235.44023	7.8
237.65723	6.8
251.20107	30.6
418.19821	6.8
461.29141	11.1
478.28891	21.3
478.38895	15.7
479.29846	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03928	1.2
55.05502	12.3
57.03424	4.0
57.07070	1.7
60.17099	0.9
62.05769	1.9
62.06084	31.7
64.80922	1.0
65.03918	1.2
67.05499	34.8
69.07057	15.5
69.67855	8.5
71.08601	0.9
79.05486	9.5
79.93059	0.9
81.06563	1.7
81.07047	32.1
83.04977	1.5
83.08612	7.0
91.05476	5.7
93.07043	10.8
95.04967	2.8
95.08598	24.0
97.06499	1.7
97.10157	3.2
98.06029	1.7
98.98447	12.1
105.07014	4.6
107.08585	5.2
109.06492	1.2
109.10152	7.3
111.08112	1.2
119.08571	3.6
121.10110	5.3
123.11675	4.3
124.01624	1.3
133.10144	3.0
134.75671	1.0
135.11681	2.2
137.09651	0.9
137.13264	1.7
142.02719	1.4
145.10089	1.0
147.11671	2.3
149.13235	2.1
155.01073	5.2
163.14760	1.2
173.02119	1.5
198.05249	3.2
201.39053	1.1
216.06316	3.5
245.22678	1.9
263.23743	4.7
306.27866	14.3
337.27338	100.0
338.27618	3.9
460.27954	3.7
472.55792	1.0
478.28928	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	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03942	0.8
55.01877	0.5
55.05512	11.7
57.03168	0.6
57.03435	8.3
57.07060	1.4
65.03937	0.6
67.05501	28.3
69.07065	15.9
69.61197	3.5
71.04958	0.7
79.05490	8.0
79.15291	0.4
81.03394	0.5
81.07050	28.8
82.07383	0.7
83.04971	1.2
83.08173	0.7
83.08612	7.9
85.06544	0.6
91.05478	4.9
93.07037	7.3
95.04945	1.1
95.08596	19.4
97.06532	1.9
97.10156	3.6
98.06040	0.7
105.07012	2.9
107.08585	2.9
109.10154	6.3
111.08083	1.3
119.08582	3.3
121.10169	2.3
123.11697	3.4
124.01630	0.6
125.92267	0.5
131.08585	0.7
133.10117	3.8
135.11674	1.9
137.09627	0.5
137.13220	1.1
144.32599	0.5
147.11688	1.3
149.13222	0.9
151.11171	0.6
152.29497	0.5
161.13165	1.2
181.52556	0.4
187.63817	0.5
189.16299	0.6
226.88873	0.5
263.23734	1.2
306.27798	2.4
337.27338	100.0
338.27942	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01849	4.2
55.05502	17.9
57.03428	27.2
59.03548	2.7
59.04980	9.1
60.04530	3.4
61.02913	3.6
62.57588	3.0
67.05495	16.6
68.05824	3.8
69.03423	89.4
69.07057	3.2
70.06582	32.8
70.79242	2.5
71.71527	4.0
71.76120	2.9
75.04476	5.9
78.68892	2.8
79.05482	19.9
80.05805	3.8
81.03404	13.1
81.07047	24.9
82.07378	3.5
83.04953	6.1
83.08617	6.7
85.02898	65.4
87.03966	4.7
87.04461	66.9
91.05468	21.9
92.05834	3.4
93.07043	23.2
94.07335	4.2
95.04971	17.1
95.08572	8.4
97.02885	76.8
97.10160	6.1
105.07022	16.2
105.58389	2.6
107.04955	9.0
107.08585	12.4
109.02859	4.8
109.10168	5.0
111.04479	5.1
112.15374	3.8
115.03918	95.6
117.07001	5.7
118.06823	5.2
119.08598	6.9
120.08939	4.0
121.06480	7.2
121.10113	20.6
123.08001	2.9
125.09594	5.1
127.03907	6.5
129.06972	3.7
129.22325	2.9
131.08533	6.6
133.04955	100.0
133.10143	8.2
135.08025	7.9
135.11717	3.4
139.03844	6.0
139.11172	4.9
143.08531	3.3
145.04932	7.6
145.10094	6.0
147.04366	5.3
147.08086	4.3
149.09618	7.7
149.13181	4.0
150.07585	5.8
157.10121	6.1
158.74231	2.8
159.09297	3.8
167.10652	19.7
173.09674	2.7
173.53883	2.9
175.11215	3.5
181.04947	3.6
189.11131	3.8
191.10651	5.9
193.12268	3.7
194.12553	3.4
211.13280	3.0
227.12674	3.1
233.12195	3.0
234.15474	3.6
274.12201	3.3
292.69476	3.7
293.51089	3.3
313.70871	3.4
314.66739	9.7
315.16531	4.2
340.23547	4.8
350.22046	4.2
368.22931	12.1
381.87244	2.9
386.24152	19.9
404.25052	5.2
460.27573	18.3
478.28708	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.5
55.05512	54.9
57.03422	14.6
59.01392	3.1
63.17051	2.9
63.24717	2.8
64.20683	3.5
65.03896	3.9
67.05502	63.4
69.03412	7.3
69.07060	15.9
70.12199	16.6
71.04988	5.8
79.05484	58.8
81.03410	37.2
81.07048	62.3
83.04969	11.1
83.08624	27.6
85.06524	5.0
88.78644	3.1
90.93736	2.9
91.05478	43.2
93.07047	44.3
95.04974	31.2
95.08588	26.5
97.06521	9.4
97.10163	42.5
99.04400	3.1
103.05404	3.1
105.07019	30.0
107.04951	35.5
107.08594	34.3
109.02795	3.4
109.06506	11.2
109.10128	12.9
111.08048	8.3
115.05425	4.4
117.07026	14.9
119.08592	25.0
121.05724	4.0
121.06499	34.2
121.10102	9.9
123.04331	4.7
123.08042	12.5
124.82983	3.0
125.06029	3.0
125.09642	36.2
128.06218	6.8
129.06999	16.4
131.04933	4.2
131.08559	20.4
133.06480	10.1
133.10146	16.3
135.04402	4.8
135.08040	13.5
135.11713	5.7
141.06894	4.2
143.08551	11.2
145.06491	22.0
145.10117	13.7
147.04305	3.3
147.08049	8.3
147.11662	14.8
149.09612	8.7
153.09053	4.5
155.08539	7.0
157.06497	4.9
157.10107	10.0
159.08066	7.7
159.11696	5.0
159.38385	2.9
161.05823	4.8
161.09642	3.6
161.13153	3.3
163.11220	7.0
167.08554	3.3
169.10100	7.7
171.08051	7.2
171.11618	7.3
171.41566	2.9
175.11169	12.7
177.12679	3.3
181.09961	3.2
187.11194	6.8
189.11188	17.8
189.12743	5.1
193.12265	31.2
195.11545	4.7
197.13300	4.2
199.11102	6.6
205.12221	5.9
206.26573	4.0
211.11157	5.3
211.13190	7.4
213.12839	5.3
215.14317	6.4
216.50099	3.0
227.12575	19.5
231.13785	3.4
233.15375	18.9
239.14508	3.7
241.14244	4.9
245.15266	6.2
249.14838	4.9
257.15314	4.0
259.13281	6.2
259.50208	3.0
267.15906	21.6
269.15399	3.4
273.14810	11.7
339.23035	13.7
341.21381	6.1
349.21631	17.1
357.24274	17.5
367.22638	41.7
385.23706	78.1
386.24121	4.8
403.24835	27.3
421.26138	4.1
433.25803	15.8
441.26263	8.1
459.27405	100.0
460.27542	5.0
460.49905	3.4
477.21869	5.2
477.28442	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	20.5
55.05508	80.7
57.03424	22.0
57.66253	3.8
67.05500	78.4
69.03416	14.5
69.07056	22.4
71.16708	11.8
78.20333	3.8
79.05492	86.5
81.03417	57.0
81.07050	81.0
83.04974	17.2
83.08614	35.4
85.02885	4.1
85.06539	5.0
91.05472	62.0
93.07040	64.0
95.04942	37.9
95.08601	38.5
97.02861	4.8
97.06552	8.7
97.10155	63.2
105.07022	47.7
107.04945	45.4
107.08589	35.7
109.06499	16.5
109.10137	21.7
111.08093	5.7
113.46268	4.5
115.05451	5.0
117.07036	25.1
119.08574	32.9
121.06499	47.4
121.10133	13.1
123.04457	4.8
123.08078	14.0
123.11721	6.1
125.09624	52.5
125.18427	3.8
126.54239	4.4
129.06999	24.6
131.04883	4.9
131.08571	28.7
133.06487	13.6
133.10132	19.4
135.08041	19.3
135.11665	11.4
137.09602	5.0
141.07011	4.3
143.08571	13.1
145.06471	31.7
145.10107	17.2
147.08107	20.2
147.11688	18.0
149.09596	13.4
149.13264	7.7
153.09094	12.9
153.12834	4.0
157.06479	4.4
157.10103	13.1
159.08020	11.2
159.11710	8.7
161.09633	5.6
163.11172	11.0
165.12794	7.8
169.10127	8.1
171.08046	9.2
171.11681	8.7
173.09633	6.8
175.11139	10.7
177.12724	7.5
185.09724	6.0
187.11224	6.0
189.11218	27.3
189.12749	8.4
193.12253	36.8
195.11703	5.5
199.11133	7.1
213.12854	6.1
215.14374	11.6
219.13739	4.1
225.12762	6.0
227.12630	34.2
229.09641	3.8
233.15321	32.5
235.13275	6.4
243.13948	4.5
245.15501	6.7
249.14708	6.2
255.13631	7.4
259.13474	4.8
267.15955	20.9
273.14862	15.5
287.16373	4.7
313.32816	3.9
339.23129	10.1
341.21146	12.0
349.21582	16.6
357.24319	19.7
367.22705	59.8
385.23737	88.5
386.24081	5.9
395.75629	4.2
403.24710	43.0
433.25711	12.6
441.26245	6.4
459.27359	100.0
460.27820	7.2
477.28433	75.7
478.28729	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.4
55.01865	25.1
55.05507	84.2
57.03434	15.0
58.02990	2.4
59.04996	4.7
63.65603	2.9
67.05502	81.8
69.03410	11.1
69.07066	17.3
70.04881	13.8
71.04966	6.9
79.05039	5.3
79.05487	89.5
81.02958	4.2
81.03411	71.5
81.07050	73.3
83.04980	26.0
83.08601	42.2
85.02892	9.5
85.06513	5.0
91.04938	5.3
91.05471	72.1
93.07040	49.4
95.04960	41.0
95.08600	31.8
97.02908	4.4
97.06522	12.2
97.09584	4.6
97.10159	55.6
103.05473	4.4
105.07024	50.1
107.04948	39.4
107.08585	35.3
109.06493	11.7
109.10171	12.0
111.04437	3.1
111.08085	13.2
111.08728	2.1
112.95860	2.5
113.05988	3.2
113.10421	2.2
115.05417	6.9
117.06995	26.7
119.07771	3.1
119.08569	38.2
121.06500	32.9
121.10116	9.4
123.08051	8.6
123.11687	4.2
125.09614	36.6
129.06999	27.0
131.04916	7.8
131.08543	29.0
133.06462	15.8
133.10133	21.8
135.08095	12.9
135.11664	7.9
137.09599	2.9
141.07013	6.2
143.08575	12.8
145.06448	22.0
145.10095	17.3
147.04297	4.9
147.07985	10.8
147.11667	17.9
149.09593	10.8
149.13245	4.1
153.09084	8.3
153.12708	4.0
155.08551	6.6
157.06404	5.5
157.10112	20.4
159.08003	7.0
159.11659	7.4
161.05974	4.5
161.09595	5.4
161.13205	2.6
163.11163	5.8
165.12721	6.0
167.08507	3.4
169.10086	4.7
171.08008	7.4
171.11623	7.9
173.09578	5.9
175.11195	16.0
177.12767	4.2
181.12114	2.8
183.11647	3.4
185.09499	4.8
185.13345	3.2
187.11188	5.7
189.09094	4.5
189.11179	29.6
189.12727	5.0
193.12213	51.4
195.11639	4.2
195.13725	3.4
197.13286	3.6
199.11116	7.9
203.14278	4.1
205.12144	5.7
211.13252	21.7
213.12733	4.5
215.14282	7.3
217.12108	4.1
223.13251	2.8
227.12650	18.7
231.13869	6.6
233.15311	18.4
235.13292	3.6
237.12733	2.6
241.14310	4.7
245.15469	3.1
249.14838	4.1
255.13745	3.6
259.13171	2.9
267.15958	19.3
271.16888	3.0
273.14859	22.2
275.16379	3.7
289.18140	2.9
291.15915	5.4
336.15729	2.7
339.23077	11.0
341.21286	3.5
349.21622	23.1
357.24176	10.8
367.22632	61.0
385.23676	100.0
386.24060	4.0
403.24780	27.2
433.25662	7.4
441.26349	7.0
459.20990	5.2
459.27383	89.9
460.27701	3.6
477.28403	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.139
Annotation	Odoratin-7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03933	1.5
55.01875	1.2
55.05497	4.8
57.03420	1.8
61.02914	1.8
65.03931	0.6
67.05494	5.0
68.14129	0.6
69.03421	6.7
69.07051	1.4
69.55309	1.8
69.55736	4.4
70.06584	1.2
70.71167	0.7
71.04970	0.9
73.02894	1.3
79.05482	5.6
81.03407	2.6
81.07054	4.9
83.04940	1.3
83.08591	1.3
85.02894	10.0
86.09705	0.6
87.04453	1.0
91.05466	4.0
93.00599	0.7
93.07010	3.1
95.04965	3.3
95.08583	2.7
97.02876	3.2
97.10166	3.6
98.21436	1.4
99.04436	0.7
99.08099	0.6
105.03387	1.2
105.07017	2.6
107.04960	4.4
107.08586	2.7
109.02855	2.5
109.06516	1.3
109.10148	1.4
110.07133	0.8
115.05405	0.8
117.07024	1.6
119.08562	1.1
121.06487	2.0
121.10117	1.4
123.04417	65.9
123.08040	1.1
124.04763	0.9
125.09633	3.3
127.03930	2.2
129.06969	1.6
131.04893	0.9
131.08582	1.3
133.06485	1.0
133.10185	0.7
135.08078	0.9
136.05225	0.6
137.05998	1.5
139.03914	1.6
139.11229	0.7
145.04955	1.7
145.06416	0.9
145.10144	0.7
147.04376	1.0
147.11754	0.8
151.07542	1.2
153.01796	0.8
157.06479	0.8
157.10132	0.7
159.08031	1.2
159.11690	0.8
165.05403	0.7
165.12767	0.9
167.06996	1.1
175.07602	0.8
187.11060	0.8
189.11171	0.7
192.04160	2.6
193.04948	30.6
194.05194	1.1
203.12703	1.2
209.04475	0.8
215.14226	1.0
215.16286	0.8
217.12196	0.7
227.12659	0.7
267.16025	0.7
273.14838	1.1
315.08588	100.0
316.09085	3.4
339.23013	0.8
347.68259	0.7
349.21509	1.3
367.22568	3.9
385.23703	6.4
403.24524	2.1
459.27533	4.5
477.28210	2.0
484.69760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.2
55.01860	3.0
56.96582	2.1
57.03423	4.5
61.02934	0.9
65.03935	2.4
67.05498	4.1
68.60002	1.0
68.99783	2.6
69.03438	1.6
69.38580	0.9
70.00598	5.8
73.02905	1.2
73.06169	1.0
77.35972	0.9
79.05496	2.3
79.08757	0.9
81.03416	4.3
83.01330	3.4
83.04961	2.7
85.02901	19.3
89.03922	1.7
91.05486	3.7
93.03402	15.1
95.01333	2.0
95.04956	12.0
97.02899	4.9
98.21441	1.2
103.03934	1.9
103.05449	1.5
105.03384	4.2
105.07021	2.7
107.01297	2.7
107.04948	5.7
109.02871	7.6
109.06494	2.1
111.00809	3.2
111.04431	5.1
115.05466	1.4
117.03373	1.0
119.04922	4.6
121.02851	10.6
121.06494	1.3
122.14836	0.9
123.04410	9.1
125.02365	2.6
127.03925	2.8
131.04915	2.9
133.02843	2.0
133.06451	2.3
135.00778	1.0
135.04419	7.4
137.02377	2.2
137.05975	2.7
139.03902	12.6
141.01805	1.4
143.04924	1.1
145.02821	2.3
145.06555	1.6
147.04410	7.5
149.02322	3.4
149.06030	1.5
151.03897	5.6
153.01811	10.2
154.02170	1.2
155.03410	1.4
159.04419	4.1
161.02368	1.3
161.06023	4.1
163.03850	10.0
165.01826	2.2
165.05505	2.1
167.03456	1.7
171.02940	1.3
171.04382	1.6
173.02318	6.5
173.05984	1.2
175.00246	4.6
175.03903	2.7
177.01779	5.1
177.05429	5.4
177.58394	1.0
179.03349	1.9
181.04921	1.0
185.06006	1.2
187.03857	5.3
189.01802	12.3
189.05379	2.0
190.02516	1.0
191.03375	21.5
193.01387	2.7
193.04988	1.1
195.02887	20.6
198.01668	1.0
201.01881	1.3
201.05519	2.0
203.03439	1.2
205.01306	2.0
205.04982	4.0
207.02869	26.9
208.03293	1.0
209.04443	5.1
215.03346	4.8
217.01456	1.4
219.02866	84.1
220.03232	2.4
221.04434	2.2
223.02425	4.0
225.03914	26.7
226.98540	1.6
229.04987	3.6
231.02913	2.9
233.04465	12.2
235.02449	1.2
237.03915	100.0
238.04160	1.9
243.02954	2.9
244.99767	1.5
245.04404	5.5
247.06087	2.8
249.03931	5.8
251.05508	1.4
255.02841	1.3
257.04456	3.8
259.02460	1.5
261.03928	80.4
262.04297	2.6
273.03915	18.8
273.06723	0.8
275.05609	3.8
285.03937	8.7
287.05466	3.1
291.04932	16.8
297.07474	2.3
299.05566	1.2
303.04965	26.5
309.07520	7.5
311.05746	1.1
315.08603	2.5
316.03885	1.1
321.05991	22.0
325.07101	1.1
327.08612	14.0
339.07639	38.1
357.09702	7.3
363.08466	1.7
381.09659	9.2
393.09567	12.7
405.09668	3.9
423.10587	3.4
441.11783	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	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47448	1.5
53.03943	3.1
54.97723	1.4
55.01863	3.6
55.05509	14.7
57.03422	4.3
62.06088	35.3
65.03931	1.6
65.10099	1.6
67.05148	2.3
67.05502	40.3
69.07057	12.1
69.45670	2.5
69.46068	15.2
71.04999	3.1
79.05489	27.5
81.03410	6.1
81.07053	33.6
82.07351	1.5
83.04942	3.5
83.08620	6.4
87.29074	1.8
91.05479	16.0
93.07037	31.4
95.04961	7.0
95.08602	23.9
97.06518	3.2
97.10149	4.2
98.06020	2.4
98.21403	3.7
98.98463	12.0
102.61600	1.5
105.07025	12.5
107.04974	4.5
107.08593	16.6
109.10161	9.8
111.08054	2.2
117.07011	4.1
119.08588	8.6
121.06496	4.6
121.10162	7.3
123.11685	3.1
125.09611	2.1
131.08575	4.9
133.10097	7.5
135.11671	5.6
145.10136	5.5
147.08041	2.9
147.11708	4.3
149.13284	3.7
150.45399	1.6
153.12694	1.9
155.01036	3.6
159.11769	3.8
161.13309	3.5
163.11183	2.3
173.13263	3.0
209.11600	2.3
216.06403	5.0
227.12724	3.5
232.14531	3.2
243.20911	1.8
257.57483	1.9
261.22137	5.6
278.61038	1.8
304.26343	11.3
335.25763	100.0
336.26123	3.0
361.92880	2.0
402.24203	2.0
458.26520	7.6
476.26666	8.4
477.28159	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	476.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01852	0.6
55.05506	9.6
57.03170	0.7
57.03431	8.1
57.07048	0.7
62.73615	0.4
65.03929	0.7
67.05498	30.7
68.05833	0.8
69.06699	0.6
69.07060	7.3
70.19342	2.3
71.04958	1.1
79.05484	17.5
80.05798	0.8
81.03401	1.1
81.07048	27.2
82.07373	1.3
83.04976	1.2
83.08596	2.6
84.47858	0.4
85.06530	1.0
90.14084	0.4
91.04939	0.8
91.05473	9.9
92.05836	0.5
93.06446	0.9
93.07037	18.4
94.07372	1.6
95.04960	3.0
95.08598	19.3
97.06536	2.1
97.10133	1.1
103.05456	0.5
105.07022	5.6
107.04932	0.7
107.08583	8.5
108.08983	0.7
109.06488	0.8
109.10146	7.5
111.08105	0.7
117.07008	1.8
119.08581	3.9
121.10123	6.3
123.08092	0.5
123.11706	2.2
124.01568	0.5
125.09594	0.8
129.06944	0.9
131.08571	3.0
133.10132	3.0
135.11696	3.4
145.10123	1.7
147.11673	2.0
149.13263	1.9
159.11653	0.6
161.13251	1.1
163.11130	0.4
164.98764	0.5
172.12021	0.7
173.13205	0.7
193.12224	0.5
206.70912	0.5
207.13792	0.6
208.14247	0.6
216.06015	0.5
261.21967	0.7
299.12704	0.7
304.26208	2.2
335.25766	100.0
336.26083	4.4
476.31119	3.5
477.28506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3777
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
51.20895	3.3
53.03930	3.4
55.05504	24.5
57.07044	8.4
59.04991	6.2
67.05499	26.0
69.07065	37.6
70.11846	9.3
70.12266	11.4
71.04976	5.2
79.05476	16.4
79.63361	4.2
81.07049	43.0
83.08604	22.7
85.06531	6.9
91.05481	21.8
93.07029	46.4
95.08597	66.6
97.06528	19.4
97.10167	13.5
99.08089	5.8
105.07021	28.8
107.08591	84.6
109.06537	6.2
109.10142	57.6
111.08067	4.2
115.07533	8.6
117.06985	7.9
119.08566	46.5
121.10134	70.6
123.08033	6.2
123.11692	34.1
125.09627	11.8
127.11173	18.2
131.08545	13.1
133.10101	37.7
133.36917	4.0
135.08037	7.7
135.10762	5.2
135.11682	49.0
137.13251	6.8
143.08569	5.8
143.10651	14.1
145.10118	19.6
147.11664	33.5
149.09595	9.8
149.13254	29.9
153.09090	6.3
157.10083	7.7
159.11673	25.4
161.13235	28.7
163.11171	7.3
163.14813	10.0
167.10654	10.5
173.13223	11.6
175.11212	4.6
175.14848	17.7
177.12787	4.6
177.16388	6.2
179.14178	4.0
181.12198	11.8
187.14777	13.5
189.16345	12.6
191.14308	5.9
195.13756	8.7
199.14714	5.6
201.16351	20.9
203.17912	10.7
213.16341	7.4
215.17938	12.3
217.19496	12.1
219.17476	6.3
221.19058	6.3
223.16930	5.4
229.19478	6.4
233.18977	5.5
237.18492	9.6
341.28421	5.1
343.25958	4.2
361.30954	4.6
363.16971	4.0
371.29453	5.8
399.32541	10.0
408.05777	4.6
421.34692	16.5
439.35666	48.9
457.36673	28.2
475.32440	100.0
476.32681	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	475.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
54.67954	1.2
55.01869	2.1
55.05512	9.6
57.03437	17.7
57.07072	41.7
61.02922	47.9
65.41065	1.2
66.96724	1.2
67.05506	16.6
69.03426	21.0
69.07062	10.2
71.01337	2.8
71.04979	3.0
71.08626	31.7
73.02914	18.3
75.04475	2.4
79.05479	4.8
79.34761	1.1
81.03416	15.1
81.07050	22.7
83.04974	2.5
83.08619	11.4
84.11076	1.1
85.02898	49.6
85.06514	1.4
85.10178	19.0
87.04463	2.4
89.06020	1.9
89.88298	1.2
91.03946	31.9
91.05428	2.8
93.07047	5.9
95.08604	28.5
97.02890	46.1
97.10153	7.0
99.04447	8.4
99.14359	1.2
101.02391	8.4
103.03963	8.5
105.07036	3.5
106.52848	1.2
107.04938	1.1
107.08568	1.4
109.02877	8.9
109.10154	13.4
111.04494	1.3
111.11700	2.2
115.03898	4.5
117.05503	3.1
123.11702	5.9
125.13257	1.9
127.03925	15.6
129.05469	3.2
133.10112	1.5
137.13248	3.0
145.04951	9.4
151.14796	1.2
159.06541	1.7
180.05533	1.3
183.06625	5.8
201.07602	2.3
207.13853	1.6
221.22626	2.0
228.58626	1.4
229.76833	1.6
239.23689	24.5
240.23907	1.1
257.24695	5.4
313.27347	100.0
314.27750	4.6
329.99408	1.5
340.17154	1.3
341.26877	3.5
355.28540	3.2
383.27963	1.5
457.31345	7.1
475.32562	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	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.7
52.10965	1.2
53.03937	7.0
55.01875	5.9
55.05240	2.1
55.05503	31.6
57.03431	6.8
57.07049	3.7
65.03919	6.5
67.05496	93.0
69.03423	2.9
69.07061	23.4
69.50968	12.8
71.04977	4.0
71.08611	1.5
73.06546	1.9
77.03909	2.1
79.05484	89.4
81.03400	11.6
81.07047	100.0
82.87621	1.3
83.04977	14.9
83.08611	18.8
85.06535	5.0
87.04475	1.2
91.05470	72.3
93.07035	96.0
95.04958	25.7
95.08595	38.4
95.22806	1.2
97.02893	1.3
97.06515	12.4
97.10163	3.5
98.21500	2.8
99.08105	2.8
103.05339	1.3
105.04523	1.9
105.07020	38.7
107.04940	9.8
107.08585	35.6
109.06510	9.3
109.10127	8.0
111.08089	7.2
115.05406	2.3
117.07009	14.5
119.06094	1.5
119.08575	23.3
121.06484	5.4
121.10136	18.9
123.08049	6.5
123.11674	2.6
127.07505	1.2
128.06261	2.5
129.06989	15.1
131.04927	1.3
131.08548	9.0
133.06470	2.3
133.10114	14.9
135.08049	1.9
135.11700	7.9
139.07503	1.2
143.08553	8.8
145.10103	9.0
147.08032	2.8
147.11674	32.2
149.09650	1.2
149.13237	28.6
157.10092	1.6
159.11670	12.8
159.89613	1.2
161.09610	3.5
161.13255	11.2
163.11209	1.9
171.11685	26.4
177.12753	5.9
189.12750	10.0
195.13824	7.9
207.13782	31.3
225.14868	5.3
319.22153	1.4
457.29318	1.5
475.30566	66.8
476.30692	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	1.5
51.02365	2.1
53.03942	11.2
55.01853	3.3
55.05508	24.0
57.03416	4.6
57.07056	3.0
65.03942	6.5
67.05499	93.4
69.03420	2.8
69.07061	27.0
71.04969	6.3
73.02885	1.3
73.06552	2.1
75.00991	1.2
79.05489	92.6
81.03410	12.1
81.07048	100.0
83.04973	14.2
83.08606	18.2
85.06522	5.8
91.05472	70.3
93.07037	89.5
95.04967	23.4
95.08600	40.2
97.02836	1.8
97.06520	12.2
97.10139	5.0
98.20665	2.8
99.08109	2.6
103.05467	2.7
105.04515	3.1
105.07021	45.2
107.04910	7.2
107.08583	42.2
109.06531	9.0
109.10151	6.5
111.08102	6.9
113.09599	2.4
117.04960	1.3
117.07021	15.2
119.07759	1.7
119.08567	24.9
120.23911	1.5
121.05675	1.3
121.06490	6.1
121.10126	17.2
123.08025	6.7
124.38103	1.5
125.09637	1.5
127.07521	1.9
128.06244	2.7
129.07001	16.0
130.07724	1.5
131.08545	12.2
131.10620	1.5
133.06487	1.5
133.10118	15.2
135.08043	3.1
135.11674	7.4
139.84825	1.3
141.06973	1.8
143.08492	7.2
145.10155	11.0
147.08015	4.2
147.10588	2.7
147.11676	31.7
149.13257	28.6
155.08585	1.3
157.10164	1.9
159.11664	11.8
161.09578	4.0
161.13249	14.5
171.11679	23.4
173.13376	1.6
177.12714	6.0
189.12755	10.6
192.35715	1.3
195.13792	7.2
207.13770	31.9
207.20825	1.2
212.35097	1.5
225.14864	4.9
282.90152	1.5
386.67267	1.4
456.02145	1.4
475.30515	74.4
476.30548	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98288	1.6
51.02373	2.6
53.03938	9.5
55.01861	3.7
55.05508	26.5
57.03427	6.8
57.07079	2.2
60.04968	1.6
65.03933	6.3
67.05502	94.7
69.03394	2.1
69.07055	26.9
69.22987	1.9
69.39487	10.7
69.39918	9.7
70.93090	1.8
71.04982	3.8
79.05490	98.6
79.28928	1.9
80.05836	3.0
81.03410	10.5
81.07052	94.3
82.89816	1.7
83.04985	16.4
83.08617	15.0
85.06547	3.5
91.05475	73.8
93.07042	100.0
95.04972	26.7
95.08600	37.2
97.06525	13.7
97.10176	5.1
99.08072	3.8
105.07021	44.5
107.04961	6.0
107.08595	38.0
109.06547	9.1
109.10152	5.7
111.08089	6.9
113.09650	2.2
117.07005	10.0
119.08579	19.0
121.06516	2.4
121.10139	20.9
123.08053	6.1
128.06230	2.6
129.06998	15.9
130.07784	2.6
131.08514	9.7
133.10121	17.4
135.08049	1.8
135.11702	8.5
143.08513	9.2
145.10098	10.2
147.08020	1.9
147.11676	33.4
149.13255	27.5
159.11691	11.0
160.74684	1.8
161.09639	6.0
161.13251	9.3
171.11681	28.6
172.12123	2.5
177.12810	7.6
189.12737	11.2
195.13768	8.5
207.13786	30.4
225.14877	5.0
251.16263	1.8
281.17487	1.9
360.87878	2.0
380.08942	1.8
391.60873	2.0
475.30606	68.4
476.30927	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	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.4
53.03937	7.9
55.01872	6.0
55.05505	25.7
56.67949	0.9
57.03424	4.5
57.07060	3.2
65.03928	5.1
65.61456	0.8
67.05495	93.1
68.05812	1.6
69.03416	1.4
69.07061	23.4
71.01335	1.0
71.04980	5.1
71.71032	1.4
73.06564	2.2
74.78358	0.9
76.07643	0.9
77.03901	1.4
79.05485	94.7
80.05830	1.4
81.03412	15.5
81.07047	100.0
82.07360	1.4
83.04967	16.5
83.08608	20.2
85.02893	1.2
85.06514	4.5
86.13712	0.8
87.35368	1.0
91.05470	63.5
93.07034	86.0
95.04955	26.1
95.05520	1.6
95.08592	37.5
96.08999	1.2
97.02881	1.1
97.06520	13.7
97.10184	3.8
99.08101	3.2
103.05489	2.7
105.04504	2.4
105.07017	43.1
107.04961	7.7
107.08582	37.3
109.06492	7.8
109.10169	4.3
111.08069	7.9
115.05453	1.9
117.07008	14.9
119.08562	24.4
121.06515	3.8
121.10126	16.2
123.08061	6.7
123.11726	2.8
125.09601	1.1
127.07584	1.8
128.06233	1.8
129.06976	14.5
131.04921	1.3
131.08551	11.3
133.06490	2.0
133.10107	18.6
135.08095	2.6
135.11652	8.6
143.08554	8.7
144.09203	1.0
145.10097	9.0
147.08090	2.8
147.11673	29.1
149.09648	1.0
149.13254	25.2
151.11136	1.6
153.12755	1.8
155.08557	1.1
157.10231	1.3
159.11681	10.4
161.09666	3.5
161.13237	12.0
163.11192	2.2
171.11674	25.1
171.13069	1.6
175.11201	1.0
177.12709	5.5
189.12743	11.4
189.14166	1.1
193.12259	1.6
195.13797	9.9
207.13786	29.0
207.15622	2.1
224.45934	1.0
225.12970	1.1
225.14944	3.9
227.12857	2.3
269.17480	1.7
362.48221	1.0
457.29810	1.6
475.30731	62.2
476.31546	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	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.03941	8.5
55.01863	5.2
55.05510	24.8
57.03447	6.5
57.07082	2.1
65.03942	4.8
67.05499	89.8
69.03416	1.8
69.07066	23.9
70.50705	3.1
70.51058	2.2
71.04978	4.2
73.02894	1.2
77.03933	1.3
77.39069	1.2
79.05489	92.8
81.03423	11.1
81.07051	100.0
83.04979	16.6
83.08609	15.9
85.06525	5.9
91.05476	66.8
92.05848	1.6
93.07039	94.3
94.07384	1.4
95.04964	26.3
95.05534	2.3
95.08599	37.2
97.06527	12.7
97.10165	3.7
99.08077	2.6
105.04526	3.0
105.07023	40.0
107.04952	4.4
107.08591	42.2
109.06521	7.7
109.10134	6.1
111.08057	6.3
115.05447	3.1
117.07009	15.1
119.08572	20.4
121.06512	4.1
121.10136	17.8
123.08070	4.2
123.11739	1.7
125.09644	1.6
127.07514	1.5
128.06235	2.2
129.06984	14.2
131.08553	12.6
133.06465	1.9
133.10136	13.4
135.08023	1.9
135.11703	8.5
143.08517	7.0
145.10126	8.8
147.07994	2.5
147.11691	32.6
147.12703	1.2
149.09636	1.4
149.13248	26.2
159.11699	12.0
161.09607	4.0
161.13239	13.4
163.11166	1.3
171.11673	26.3
174.17307	1.1
177.12709	6.3
179.14247	1.7
183.20642	1.3
185.13387	1.5
189.12743	11.9
195.13736	6.2
207.13783	32.2
207.15657	1.9
213.14897	1.3
225.14804	3.8
263.16385	1.4
429.80518	1.3
457.30026	2.1
475.30615	66.4
476.30963	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	475.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90124	2.0
56.96560	31.6
60.25511	1.7
66.27828	1.9
71.69664	3.8
74.22762	2.2
84.96024	7.4
85.02925	2.4
97.96796	2.4
98.97575	100.0
108.31567	1.9
109.02911	2.0
110.97546	13.1
112.41064	1.9
116.98610	75.1
123.04367	2.7
127.03900	6.8
128.98608	28.0
131.00153	4.7
134.99648	37.6
139.03923	4.5
140.00183	7.0
143.00150	3.2
143.03313	2.8
145.44814	2.1
146.99646	25.1
147.04413	5.9
149.01172	3.1
150.06693	2.9
151.03917	2.3
153.00699	4.4
153.01814	23.9
155.03371	4.4
158.99617	16.1
161.01210	9.6
162.06758	3.9
165.00758	2.9
170.99670	7.9
177.00696	22.6
189.00679	10.6
191.14291	2.0
197.01212	4.0
200.02373	2.3
201.00752	2.7
211.99825	2.5
213.00638	2.7
213.04318	4.0
219.01746	35.8
220.01981	2.3
223.02805	2.3
226.01593	3.1
227.02191	2.2
230.93013	2.2
235.02777	22.0
237.02803	79.4
238.01369	14.8
241.03778	11.1
244.02638	2.7
253.03810	30.7
255.03758	5.1
256.02414	8.7
259.04938	2.6
260.02054	3.3
260.04520	4.5
263.04456	5.6
265.03796	3.8
269.03281	5.1
271.04800	14.7
277.03806	32.8
278.03186	2.7
279.05408	7.1
287.05359	7.5
295.04880	46.0
311.04395	3.4
313.05859	6.3
318.06531	3.2
337.05948	12.0
355.06989	2.9
379.06738	3.5
397.08005	9.0
415.09073	93.9
433.10095	27.3
456.11520	4.1
475.11462	32.8
478.64697	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	475.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.9
53.00291	0.9
53.03948	0.6
55.01858	1.4
65.03918	1.8
67.01847	1.9
67.05484	1.3
68.99786	3.5
69.03384	0.9
71.48007	1.0
72.88731	0.5
79.01848	4.5
79.05469	0.8
79.41804	0.5
81.03412	0.8
83.04974	1.0
83.95536	0.5
86.09691	0.8
95.01321	0.6
95.04959	1.8
97.02882	2.7
107.01328	0.7
107.04945	1.1
109.02856	1.6
111.04429	3.7
113.02351	0.5
114.77155	0.5
119.04937	0.7
121.02850	1.8
123.04408	5.0
125.02357	3.7
127.03896	2.9
131.04933	0.9
133.02823	0.7
133.06514	0.8
135.04382	1.7
136.90770	0.5
137.02356	1.1
137.05965	0.8
139.03886	100.0
140.04254	2.2
143.03377	5.1
143.41335	0.5
145.02884	0.8
147.04417	1.7
149.02304	2.3
150.03195	0.6
151.03902	8.2
153.01813	59.7
153.02757	2.7
154.02106	3.0
155.02249	1.9
155.03369	30.4
156.03761	0.7
157.06523	0.6
159.04466	0.6
161.06000	0.6
163.03883	9.6
163.11247	0.8
167.03424	2.5
169.01323	2.4
171.04439	0.6
175.03893	1.2
177.05495	0.5
179.03366	1.9
181.04959	2.6
185.05971	0.6
187.03751	0.7
193.04956	2.1
199.04007	0.6
200.04590	0.6
201.05389	0.9
203.03340	0.9
205.05031	1.4
213.05455	1.3
215.07010	0.6
217.04980	0.8
231.06570	1.7
243.06516	1.5
245.04420	1.7
259.05972	3.7
261.07578	1.8
269.04486	1.4
287.05493	2.3
289.07086	1.9
305.06473	5.3
323.07346	1.1
337.07031	0.5
447.92938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79460	0.4
55.01855	0.7
55.45191	0.4
59.75220	0.5
68.99789	2.4
69.47643	0.5
70.06130	2.0
70.06552	0.9
71.01344	1.2
74.67582	0.4
79.01848	4.9
81.03410	3.2
83.05017	0.5
85.02905	2.7
88.12122	0.5
97.02871	1.4
99.04464	0.5
103.05545	0.4
105.03426	0.9
109.02858	4.9
111.00784	4.0
118.37939	0.4
121.02842	0.5
123.04427	7.5
125.02353	3.2
127.03909	22.1
133.02815	0.9
139.03883	10.6
143.03394	7.7
145.06430	0.6
147.04387	4.4
149.02303	0.7
151.03900	20.5
152.04201	0.5
153.01817	100.0
153.02786	4.2
154.02136	2.2
155.03372	28.7
156.03665	0.7
157.06511	0.6
163.03905	0.6
167.03465	0.9
169.04889	0.6
171.04428	0.6
175.03908	7.2
177.05463	2.1
179.03400	6.9
185.05939	0.9
189.05536	0.6
197.06001	0.6
199.03900	1.2
201.05492	0.8
203.03383	9.5
204.03677	0.6
213.05472	2.5
217.05052	1.0
232.70613	0.5
241.04944	1.3
245.04466	0.5
259.05997	1.8
269.04471	1.7
287.05484	26.6
288.05850	0.7
305.06543	4.4
312.96033	0.5
321.06317	0.6
355.20078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.173
Annotation	Unknow
Peak:m/z	Relative Intensity
71.34371	0.9
95.06115	0.6
97.02876	0.5
104.05017	0.6
105.03390	0.8
105.05791	0.5
111.04443	0.4
111.05552	3.9
120.04443	3.1
123.04368	1.0
123.05464	0.5
125.05856	0.7
126.06638	2.4
132.04443	24.3
134.06015	4.4
137.04698	2.3
139.03902	4.6
143.03331	0.9
149.24052	0.4
151.03969	0.8
151.06143	12.7
153.01819	8.1
154.02226	0.7
154.27396	0.5
155.03336	0.7
177.04057	0.7
179.03371	0.5
194.06715	5.0
195.07455	1.2
202.09720	1.9
216.11311	0.6
230.09219	1.5
242.09230	5.0
257.10303	4.4
259.11887	10.9
284.11447	4.0
285.04108	0.6
286.04434	0.6
287.05313	1.0
302.12451	16.7
303.05206	0.5
303.12607	0.5
322.06433	0.7
327.11707	2.7
345.13040	100.0
346.13358	4.6
456.16083	0.8
474.17365	8.1
478.44217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3623
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
50.49250	6.1
52.33904	5.8
53.03957	7.2
55.05507	32.3
57.07055	10.0
67.05499	37.3
69.07059	34.7
69.45423	23.9
69.45847	44.5
71.04996	8.3
79.05479	27.9
80.70943	6.0
81.07055	67.4
83.04995	6.7
83.08604	20.2
91.05474	40.0
92.86626	6.3
93.07034	53.0
95.08606	90.2
97.02863	7.8
97.06523	9.0
97.10159	10.7
103.05460	12.1
105.07011	61.9
107.08571	83.9
109.06525	8.0
109.10160	60.3
117.07027	7.7
119.08566	76.9
121.10128	68.3
123.08010	9.2
123.11681	22.7
131.04921	36.5
131.08557	22.1
133.10123	76.4
135.11688	56.8
143.08560	12.6
145.10124	36.0
147.04378	12.3
147.07979	7.1
147.11685	62.8
149.13217	23.1
151.11128	8.1
157.10107	7.5
159.11642	32.0
161.13255	34.0
163.14812	21.1
164.76146	6.4
170.66461	7.3
171.11688	8.7
173.13316	16.1
175.14819	27.7
177.16330	30.4
187.14799	27.1
189.16351	50.1
191.14439	7.4
191.17975	15.9
192.45219	6.1
201.16446	31.5
203.17955	100.0
205.15866	27.7
205.19347	8.0
207.17459	10.1
208.81883	6.7
216.24716	6.5
217.19392	12.1
233.19016	8.1
278.32278	6.2
325.23819	12.3
391.33875	7.9
409.34625	70.7
411.36691	8.1
437.34320	24.1
445.65836	7.4
455.35205	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95839	4.8
55.05498	16.6
57.07057	15.4
64.95821	4.2
67.05498	31.3
69.03424	4.2
69.07057	30.8
71.04970	7.0
71.08646	6.3
71.71828	5.1
79.05486	21.5
81.07056	53.0
83.04963	6.1
83.08616	14.8
85.06535	8.3
91.05466	20.6
93.07037	53.8
95.04963	6.9
95.08595	66.5
97.10139	7.9
99.04465	8.0
101.06008	5.0
105.07014	49.9
107.08591	93.0
109.06521	6.3
109.10153	49.4
111.08106	5.3
117.07018	7.1
119.08575	62.5
121.10145	100.0
123.08067	7.2
123.11694	23.6
125.09643	9.1
129.06973	5.3
131.08542	16.9
133.10110	59.7
135.08061	5.8
135.11688	60.1
137.13261	10.7
143.08638	8.1
143.10672	6.8
145.10086	26.2
147.08015	7.7
147.11673	40.2
147.89716	5.1
149.09590	9.8
149.13269	15.3
153.09094	5.5
157.10127	14.5
159.11685	25.4
161.13275	18.2
163.11177	8.1
163.14749	5.3
167.10677	14.3
168.62001	4.9
171.11665	5.4
173.13181	10.6
175.11183	10.7
175.14806	15.2
181.12274	14.4
187.14856	11.3
189.16434	7.2
193.12256	5.3
195.13803	6.2
199.14842	10.0
201.16348	8.5
203.18001	9.3
205.15933	7.8
207.13821	5.3
209.15398	7.3
213.16360	9.8
215.17920	9.9
217.15924	6.9
219.17384	12.6
223.16949	8.7
231.17395	11.9
235.16901	14.0
237.18536	10.4
249.18460	15.8
339.26706	5.6
357.27829	21.6
371.29132	5.0
437.33981	18.9
455.35504	17.0
473.34998	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03944	9.7
55.01864	4.7
55.05505	21.1
57.03424	3.8
59.60964	1.0
65.03920	3.6
65.46196	1.1
67.05497	56.8
69.03418	4.0
69.07059	10.1
69.21529	1.2
70.17921	6.0
71.04990	2.9
72.74261	1.0
73.06562	1.9
79.05486	71.4
81.03410	100.0
81.07048	42.2
83.04588	1.2
83.04980	13.6
83.08609	19.9
85.02879	1.5
85.06538	2.2
91.05471	62.8
93.07034	48.2
93.28210	1.3
94.01400	1.1
95.04961	42.7
95.08597	21.6
96.05267	1.2
97.02890	3.4
97.06513	5.1
97.10160	5.4
103.05436	3.0
105.04561	1.3
105.07024	46.5
107.04948	11.1
107.08590	15.5
109.06517	8.4
109.10149	5.6
111.04401	1.3
111.08094	7.1
113.74887	1.4
115.05444	3.7
117.07013	11.4
119.04905	1.3
119.08573	27.4
121.06498	5.5
121.10177	7.2
123.08054	5.6
125.09631	3.4
128.06207	4.1
129.06989	23.8
129.07861	1.9
131.04922	1.3
131.08554	12.4
133.06506	5.2
133.10106	12.0
135.08031	2.5
135.11719	1.6
137.09590	1.4
141.07056	1.5
142.07759	2.5
143.08511	6.8
145.06479	4.2
145.10100	8.9
147.08057	6.6
147.09061	1.2
147.11673	32.4
149.09607	5.1
151.11339	1.4
155.08580	2.0
157.06502	2.0
157.10103	10.0
159.08040	1.2
159.11699	1.7
161.09608	2.5
161.13228	8.0
163.11116	1.9
163.59412	1.1
165.12756	1.5
168.08992	1.0
169.10123	2.4
171.08060	1.7
171.11681	19.1
173.09555	1.7
175.11143	9.1
179.08684	1.2
185.13245	1.3
189.12675	8.2
193.12234	27.7
207.13750	20.9
225.14874	2.6
249.14836	4.4
281.17599	1.8
363.23080	1.9
381.24237	5.0
399.25250	2.3
455.27859	3.9
473.28998	70.7
474.29996	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01669	1.2
55.01858	1.6
56.96555	4.9
57.03424	1.5
58.99837	1.9
61.02906	3.6
69.03412	7.3
71.04978	1.6
71.51170	1.9
81.03419	3.3
85.02903	16.2
97.02310	1.1
97.02885	8.2
98.97547	5.2
99.77195	1.2
101.00867	2.0
101.73221	1.4
105.00360	1.5
109.02871	2.8
110.97579	1.7
113.00887	1.8
115.02406	1.9
116.98602	4.1
118.62148	1.2
119.01926	13.8
127.03931	3.2
127.71439	1.2
128.98590	1.7
131.01883	11.5
133.03450	2.6
134.99635	1.5
137.02931	2.7
139.03909	5.7
143.01924	12.6
145.03459	14.0
145.04918	4.2
149.02925	4.6
153.01817	16.7
155.01878	13.3
156.02658	2.6
157.03465	9.4
158.99591	2.7
161.02946	19.7
163.04488	3.6
173.02954	24.6
175.04541	1.7
177.00764	2.0
177.02487	3.3
184.04610	2.1
185.02951	9.6
187.04515	1.8
195.03297	1.5
197.02913	2.1
198.38841	1.6
199.04503	2.7
201.02405	6.1
203.03995	26.5
209.03026	3.6
211.00848	11.3
213.02408	4.0
219.01704	2.9
219.03505	15.2
221.05048	40.1
222.05161	2.1
225.02425	2.8
227.04019	2.9
229.01894	7.7
229.04933	1.7
231.03502	4.1
237.02594	8.4
243.03493	9.8
244.06694	1.5
244.99681	1.9
245.05179	3.0
247.02924	10.5
253.01979	4.4
255.03481	9.2
257.04865	5.9
261.04443	3.6
263.00717	1.9
263.03870	2.0
265.01987	1.9
265.88239	1.4
267.03497	2.9
271.03009	3.9
273.04483	3.2
275.05927	2.0
280.04340	1.4
285.04300	10.3
293.01584	2.2
295.03085	1.6
297.04370	1.7
303.05569	100.0
304.05930	3.8
307.02936	5.5
311.02341	2.7
311.05975	2.6
321.06601	40.4
322.06934	1.4
326.07208	4.4
329.03488	4.4
330.04059	1.4
337.04196	2.3
344.08182	4.6
355.05020	24.0
373.06274	12.2
389.03964	2.9
396.07721	2.2
461.06818	1.4
473.07401	1.5
473.15964	2.7
473.55374	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	471.2198
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05498	0.6
58.26550	0.4
65.03928	0.7
65.56963	0.4
67.05489	1.0
69.03406	1.6
71.71693	0.4
71.72044	0.5
81.07050	0.7
83.05001	1.8
83.17436	0.3
85.02868	0.8
87.73886	0.4
91.05466	4.8
95.04952	1.4
103.05437	0.4
105.07066	0.7
109.10090	0.8
111.04395	0.5
119.04932	7.9
119.08611	0.4
121.10140	0.4
123.68422	0.4
131.04895	0.7
134.39993	0.3
135.08061	0.4
137.06036	1.9
139.03894	1.9
147.04393	26.5
148.04700	0.4
151.07518	0.5
153.01825	0.6
163.07535	0.4
165.09122	3.1
167.07173	0.4
177.05415	0.6
185.04329	0.5
191.06888	0.4
203.05284	0.7
209.88318	0.4
279.40451	0.4
309.16779	1.4
319.04517	0.6
327.88794	0.4
393.01245	1.2
397.04459	0.4
411.02286	0.4
471.21988	100.0
472.22437	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	473.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.3
51.02375	0.8
53.00303	0.2
69.03408	0.7
69.89044	1.3
70.06565	0.3
72.08107	0.2
72.49374	0.2
78.98833	0.2
79.01849	7.7
79.05466	0.2
81.30472	0.2
85.02917	0.2
86.09690	0.5
89.89033	0.2
91.05452	0.3
93.07055	0.3
93.95609	0.2
97.02861	1.2
107.01305	1.8
110.07143	0.3
121.10165	0.3
121.76907	0.2
123.00758	0.2
124.18803	0.2
125.02338	3.8
129.86134	0.2
139.03885	1.7
143.03392	8.9
144.03741	0.3
149.02357	0.4
151.03978	0.2
153.01814	100.0
153.02824	4.7
154.02161	1.3
163.03967	0.2
183.04424	0.2
212.90767	0.3
219.02849	0.3
229.04857	0.2
247.05992	0.3
275.05530	0.7
303.05011	0.9
311.02206	0.2
321.05838	0.6
329.02972	0.6
455.06189	0.4
470.03244	0.2
473.06958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	21.7
58.16855	4.3
61.26209	5.1
66.04603	4.0
66.11278	4.3
67.05511	6.5
68.32287	4.2
70.06573	5.0
70.24089	15.5
70.24493	8.7
79.05508	5.2
81.07051	12.4
93.07037	8.0
95.04982	4.8
95.08618	10.6
95.30647	4.0
98.21380	6.5
103.20522	4.1
105.07014	7.0
107.08607	6.6
109.10094	4.8
112.64258	4.4
119.08598	3.9
134.85794	4.5
145.10115	5.4
149.09567	4.5
159.11714	5.3
189.16396	5.4
233.74290	4.6
277.14325	4.4
295.15720	14.0
307.15778	100.0
318.49295	4.4
325.16849	97.7
348.18594	24.2
471.21185	68.7
472.21729	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
62.45733	1.9
64.22575	1.9
67.05514	3.0
68.99794	3.5
69.88721	11.5
79.01834	2.5
79.05469	3.4
90.11095	1.9
95.04961	4.4
98.21484	2.4
105.03352	2.4
123.04427	9.3
123.88464	1.9
125.02321	3.2
133.02840	2.9
135.04384	3.3
139.03896	34.4
147.04379	10.5
151.03889	100.0
153.01808	42.1
153.02937	4.5
163.03891	54.0
163.05183	4.4
175.03896	6.9
177.05502	2.9
185.06076	2.4
189.05566	2.5
191.07060	4.5
205.04980	5.7
213.05414	2.5
259.06039	6.7
283.05969	3.4
301.07037	25.6
303.05148	2.5
319.08072	27.4
398.76740	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	471.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	20.9
58.12234	3.3
65.75429	3.4
69.03399	5.4
70.90691	9.8
71.62437	3.5
72.46505	3.8
73.72318	3.5
77.30022	3.7
77.63212	3.4
85.02882	9.8
89.49766	4.2
89.57423	3.9
98.97570	95.8
107.16125	3.6
110.97562	17.1
116.98615	65.3
124.99080	19.2
127.03874	5.1
128.98601	23.3
134.99666	32.4
139.03894	9.2
143.00150	44.3
145.04903	4.0
146.99669	23.8
151.03900	9.5
153.00652	5.3
153.01813	7.4
158.99638	43.1
161.01205	44.1
161.02664	6.7
165.00731	4.6
170.99626	21.1
173.02991	8.4
177.00703	79.4
178.00897	3.6
185.01181	20.1
185.02695	3.8
189.00690	64.1
195.01709	6.7
200.02351	10.0
201.00708	9.4
203.02321	15.4
207.01802	32.3
212.02512	4.4
219.01730	21.3
230.03401	5.7
231.01723	18.1
237.02803	16.8
240.02112	4.3
245.04974	4.7
245.11172	4.6
249.02794	56.3
255.03923	7.8
261.02780	7.9
263.05957	4.4
267.03806	57.5
273.02914	11.4
279.03864	82.5
279.06906	4.2
285.04865	25.5
291.03812	100.0
291.06763	3.6
297.04831	19.9
303.03897	15.3
309.04889	86.9
314.05594	7.1
319.08173	6.3
320.06598	5.0
321.04797	21.8
327.05875	33.2
332.06503	7.4
339.05896	19.4
351.05844	29.2
381.07092	21.6
440.93369	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	471.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02378	0.9
55.01878	0.3
56.67799	0.2
68.99771	0.6
69.03423	0.2
69.60967	0.8
69.61402	0.7
79.01851	6.5
82.72820	0.2
87.00836	0.2
97.02892	1.2
107.01302	1.3
109.02887	0.4
111.00809	1.0
111.04437	0.2
112.54644	0.2
115.05464	0.2
123.00779	0.3
123.28275	0.2
125.02354	4.4
127.03911	0.2
132.37965	0.2
137.02341	1.0
139.03909	0.4
143.03391	8.5
153.01820	100.0
153.02803	4.1
154.02144	1.4
165.01813	1.7
166.02565	0.5
179.03413	0.7
183.02925	0.6
189.05515	0.6
193.01457	0.2
194.80444	0.2
195.02847	0.4
203.03415	0.4
207.02910	0.2
217.04935	2.4
221.04486	0.4
227.03229	0.2
231.02905	0.2
235.05951	0.2
244.03519	0.3
245.04445	2.8
255.03008	0.3
263.05463	0.4
273.03931	3.4
290.04196	0.7
301.03339	1.0
319.04471	54.4
320.04874	1.8
471.05582	5.6
472.05695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01868	1.4
55.05508	2.1
56.03529	0.7
57.03420	2.1
57.31448	0.8
69.03428	11.4
69.56594	0.7
69.70624	4.0
69.71030	2.1
71.04982	7.0
73.79870	0.8
81.03412	23.9
81.07054	2.7
81.38747	0.8
83.04980	6.3
85.02890	2.9
93.07026	1.3
98.09651	1.8
99.04448	12.5
100.11258	1.9
103.03902	2.0
107.04951	1.6
109.02879	9.6
111.04434	0.9
117.05492	2.5
118.06545	3.3
119.08636	1.0
121.06526	1.5
123.04417	1.0
127.03915	2.1
128.06981	1.0
128.71210	0.8
138.84886	0.8
139.03867	8.5
142.63066	0.9
145.07561	5.0
147.09160	9.3
162.07831	1.0
163.03882	1.8
163.08670	1.6
173.07100	11.8
175.08664	9.8
182.15335	2.4
191.08144	100.0
192.08530	2.2
198.14885	2.6
200.11467	1.1
204.09007	0.8
205.09752	0.8
210.14880	3.3
217.12195	1.0
218.12630	2.1
226.14278	0.9
231.11363	1.4
233.09218	1.7
235.13277	1.4
236.13707	1.8
243.11478	1.0
253.14374	1.4
254.14691	1.6
265.55270	0.9
271.10757	2.2
289.11832	7.2
307.12860	33.6
325.10016	1.7
325.13913	32.5
329.15405	0.8
331.12839	7.1
337.21320	1.3
342.27261	0.9
349.13834	6.6
354.23889	1.2
355.80161	0.8
359.28436	0.8
371.15860	2.2
389.17059	3.7
397.13846	5.7
415.14996	9.5
433.16061	10.6
451.17136	7.5
451.22525	1.4
452.17657	0.9
452.31311	1.0
469.33847	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	469.1128
Annotation	Epigallocatechin 3-O-caffeate
Peak:m/z	Relative Intensity
52.04855	0.4
53.00306	0.3
53.76995	0.3
55.01854	0.6
61.02925	1.9
65.03925	0.9
67.05494	0.4
68.99784	1.1
69.03417	0.6
70.75743	0.4
70.76120	1.1
73.02910	2.2
80.21673	0.4
83.05016	0.4
85.02897	1.3
89.03904	1.3
91.03942	1.0
93.03429	0.5
97.02879	1.3
105.04500	0.3
111.04437	3.6
117.03381	1.9
121.02858	1.0
123.04403	1.4
127.03939	0.5
135.04424	3.8
139.03894	100.0
140.04251	0.6
144.29887	0.3
145.02835	2.2
151.03906	3.4
153.01785	0.4
163.03896	17.1
177.48511	0.3
181.04880	0.4
205.05009	1.1
237.03065	0.4
246.72853	0.4
287.05460	4.3
288.05783	2.8
289.07098	4.0
303.04950	1.0
325.00269	0.4
343.01163	0.8
361.02249	4.4
362.02618	2.1
363.02493	0.4
368.59381	0.4
375.99890	0.7
379.03510	1.1
380.03738	1.0
387.55682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1339
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
55.01880	0.8
57.03420	1.0
61.02918	2.2
63.09658	0.7
65.03930	1.4
68.99768	1.1
69.03425	3.4
71.16296	1.5
71.16663	0.7
77.03937	0.6
81.03411	1.6
83.04963	0.8
85.02894	10.6
91.14830	0.6
94.32709	0.8
94.52850	0.6
95.04918	1.4
97.02907	4.1
107.04951	1.3
109.02881	1.3
111.04422	1.8
117.94080	0.6
121.02865	1.4
123.04437	2.5
127.03919	2.6
133.02840	4.9
135.04410	2.2
139.03889	100.0
140.04207	1.7
145.04935	1.2
149.05867	0.7
151.03896	8.9
153.01805	1.2
153.05495	0.9
163.03909	10.2
169.04941	7.6
171.72496	0.6
177.05515	2.2
179.03514	0.7
181.04950	5.5
205.04965	3.4
247.06056	0.8
289.07086	5.4
302.02866	0.8
307.08047	2.2
331.10175	1.6
469.22894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.8
55.05505	12.9
57.03433	1.3
57.07071	36.8
57.07354	1.8
57.18907	0.7
57.34402	0.6
59.05001	4.2
65.03925	2.0
67.05497	100.0
69.07060	7.6
69.59161	0.9
70.40116	3.3
70.53018	0.8
71.04978	2.3
71.08622	26.5
73.72417	0.7
75.39883	0.6
79.05477	4.2
81.07049	26.8
83.08612	14.7
83.84510	0.9
84.56983	0.6
85.06538	2.8
85.10174	15.4
91.05480	4.2
93.07031	1.7
94.44831	0.7
95.08599	24.7
95.09211	1.3
97.10159	5.5
98.21312	0.9
99.11744	1.3
107.08585	1.4
109.10144	77.0
111.08079	1.9
111.11715	1.6
113.13281	0.9
119.08573	5.2
123.11704	5.0
137.09613	3.2
137.13225	2.5
155.10667	3.3
173.11719	28.8
212.18698	0.7
221.22717	1.1
229.80089	0.8
231.82063	0.9
238.69890	0.8
239.23703	8.4
326.86880	0.7
458.40088	0.9
467.37289	86.6
468.37601	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	468.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.0
55.01849	3.7
55.05501	3.9
57.03421	5.2
58.36850	2.0
60.08137	4.2
61.02908	4.2
65.03915	2.0
67.05489	4.3
69.03423	12.7
69.07058	6.8
70.27179	3.8
70.27596	8.5
71.04976	10.8
71.07333	2.9
72.08136	6.3
79.05487	9.2
81.03408	26.7
81.07046	21.8
83.04971	10.9
85.02908	11.8
85.06490	3.6
86.03210	2.4
86.09708	13.9
91.05486	11.2
93.07046	20.3
93.52904	2.2
95.04945	7.3
95.08594	11.4
97.06534	19.2
99.04441	20.9
100.11266	3.5
103.03959	2.7
104.10751	21.8
105.07018	16.5
107.04946	41.0
107.08587	13.5
108.05263	14.1
109.02854	9.1
109.06516	16.3
109.10114	3.5
111.08049	4.2
119.08567	9.8
121.06490	43.3
121.10161	3.3
123.11714	3.3
124.99997	4.6
125.05991	3.7
127.03932	3.9
127.07525	8.7
131.08463	2.7
133.10107	7.4
135.04347	3.5
135.08018	6.0
137.05957	3.9
139.03877	13.2
139.07536	12.1
143.06993	3.5
143.08530	5.9
145.07608	4.2
145.10068	5.9
147.09160	8.2
147.11667	25.4
151.11182	2.8
153.01772	3.2
157.08575	9.3
157.10112	9.9
161.09592	2.9
161.13225	7.9
163.03899	3.3
165.12744	8.8
169.12257	4.5
171.11621	10.5
173.07079	9.6
173.09599	3.1
175.08702	12.1
175.11125	15.3
180.53291	2.1
181.10109	3.0
184.07330	25.1
189.12712	12.2
190.07372	3.3
191.08130	100.0
193.12210	13.6
199.11111	14.9
202.05623	2.1
204.09055	2.1
207.13753	12.1
211.13306	15.2
217.12221	49.6
235.13271	77.3
239.99202	2.2
253.14339	77.7
271.15384	8.5
289.11655	8.0
289.16333	6.7
298.91550	3.0
303.04947	7.3
304.05450	17.4
305.05530	19.9
306.05820	26.9
307.12842	32.4
325.13916	30.5
331.12863	6.9
333.17944	2.8
349.13733	4.0
354.10339	2.7
397.13843	5.0
415.14914	10.2
420.11407	9.2
433.15875	10.6
450.22748	2.7
451.16888	10.6
468.23563	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	467.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05506	10.2
57.03445	2.0
57.07071	33.4
58.98091	0.6
59.04983	3.6
65.03922	2.7
67.05499	100.0
67.19498	0.8
69.06732	1.0
69.07063	8.2
69.50955	4.3
69.51385	3.8
71.04967	3.2
71.08627	25.6
79.05460	1.6
81.07052	26.6
83.08613	15.2
85.06528	2.6
85.10173	12.9
90.87075	0.8
91.05469	6.2
93.07037	2.4
93.42730	1.0
95.08015	1.8
95.08599	23.4
96.63626	0.8
97.10167	4.9
99.11706	1.3
107.08540	1.0
109.10149	80.8
110.10480	0.7
111.08044	2.7
111.11734	1.2
119.08579	4.9
122.79469	0.8
123.11690	3.4
129.09024	0.8
134.18158	0.8
137.09607	3.3
137.13321	1.1
155.10654	3.2
173.11729	26.0
182.89908	0.8
221.22627	1.8
222.89604	1.0
239.23683	6.0
467.37326	80.1
468.37708	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05506	12.2
56.12186	0.7
57.03434	1.9
57.07073	32.6
59.04997	4.0
60.06355	0.6
65.03931	2.6
67.05501	100.0
68.05828	0.7
69.07064	8.3
69.54032	1.5
69.54458	5.0
71.04996	1.6
71.08628	22.3
79.05495	3.0
81.03410	0.7
81.07050	26.3
83.08617	14.0
85.06542	2.7
85.10176	12.0
85.23965	0.6
87.04449	0.8
89.06040	0.6
91.05475	9.2
93.07044	3.6
95.08602	23.9
97.10165	4.6
99.08109	0.7
105.07034	0.8
107.08594	2.4
109.10148	72.6
110.10462	1.3
111.08077	2.5
111.11723	1.2
119.08580	5.2
120.61803	0.7
123.11694	4.8
125.13303	1.1
133.10103	7.1
137.09589	3.0
137.13269	1.4
151.14929	0.9
155.10677	3.5
173.11734	24.8
239.23697	7.6
467.37320	78.3
468.37640	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	467.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05486	3.0
57.03435	2.5
61.02913	4.3
64.42154	1.7
65.03925	1.5
67.05505	8.3
69.03432	7.9
69.07054	4.9
71.71840	2.6
79.05488	4.4
81.03405	6.4
81.07046	15.0
83.04958	2.4
85.02900	22.1
86.09685	2.6
91.03937	1.4
91.05463	4.0
93.07023	5.9
95.04974	2.1
95.08601	7.3
97.02895	8.3
99.43263	1.4
101.11493	1.5
105.07042	1.8
107.08604	8.0
109.02856	3.9
109.10153	12.1
111.04470	1.9
119.08569	1.8
121.10123	1.4
123.11697	11.3
125.02372	1.8
127.03875	4.4
131.08536	1.6
135.11642	3.8
137.02312	23.4
137.05968	3.0
139.03864	6.9
145.04935	2.8
147.04391	4.0
151.03937	1.6
153.01819	2.5
157.06560	1.8
161.05959	2.8
163.03885	2.4
165.01820	34.6
173.05952	2.7
177.05408	1.6
178.12962	1.5
179.03415	3.9
179.07176	1.8
181.01306	26.5
181.04845	1.4
183.02876	100.0
187.69635	1.6
191.03322	1.7
191.06995	3.2
193.04924	1.4
194.08905	1.7
195.02898	3.6
203.07001	3.4
205.05009	2.3
205.08574	2.5
209.04372	3.0
213.05293	1.9
215.06984	2.0
219.06422	3.6
221.04410	2.4
227.06970	2.2
231.06509	7.8
232.39777	1.7
241.27782	1.6
245.08052	2.3
249.07474	2.4
259.13397	1.6
261.14862	6.5
269.11795	1.7
269.17462	2.9
270.17789	4.0
287.12714	9.9
305.05576	3.1
305.13852	8.5
337.36612	1.7
442.93146	1.7
469.66550	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	467.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	1.1
57.03404	1.3
57.56471	1.1
62.77020	1.0
67.05480	1.4
69.03423	1.6
71.15835	2.8
73.02894	1.7
80.54188	1.0
81.03396	2.0
82.28960	1.0
83.04991	1.2
85.02879	3.1
90.89457	1.0
93.03325	1.2
95.04932	1.2
97.02867	2.0
98.97578	1.4
101.00871	3.4
109.01431	1.6
109.02872	1.9
111.04448	1.7
115.03991	1.0
119.01909	27.7
121.02857	4.0
127.02401	3.2
127.03927	2.2
131.01863	2.4
133.03395	1.5
137.02957	10.5
139.03894	3.0
143.01875	2.3
145.03456	31.5
146.03513	1.1
153.01837	1.3
155.01869	1.7
157.03464	6.0
161.02917	5.9
163.04454	3.7
167.01971	1.3
169.03450	32.1
170.03700	1.3
170.76476	1.1
171.05008	10.2
172.01350	1.0
173.02942	3.8
175.04532	3.7
185.02942	11.4
185.06543	1.8
187.04510	57.7
188.04716	1.5
189.00783	1.5
189.02362	1.8
189.06117	2.1
191.03934	1.9
195.05038	5.8
197.02927	10.6
197.06572	2.1
200.04446	1.3
203.03979	7.1
205.05598	9.0
210.06020	2.7
211.04497	4.0
213.06042	4.3
215.04012	14.1
221.03041	1.7
223.04471	5.7
229.05560	18.7
231.03452	2.4
231.07056	1.3
233.05095	1.3
241.05617	2.3
245.05029	4.5
247.04362	1.9
247.06644	14.8
251.06189	1.3
253.00769	4.1
257.05017	2.5
265.05499	1.5
273.08237	1.5
275.06097	100.0
276.06317	3.1
281.07007	3.6
283.06619	3.2
286.99194	3.8
293.07190	25.6
294.07425	1.9
301.07666	21.9
303.05325	11.3
304.05319	5.5
305.05475	11.6
311.06082	1.2
316.08771	7.8
321.06567	2.1
329.07181	5.0
347.08301	5.7
347.12186	1.1
389.09241	22.7
407.10349	23.2
425.11285	16.6
430.11838	2.2
448.12891	2.9
467.10681	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	467.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56393	0.5
66.81726	0.7
70.03037	1.1
70.03449	1.7
70.66985	0.5
82.99873	0.7
85.83012	0.5
95.04993	0.6
98.20710	0.8
101.00814	1.2
104.99271	1.1
114.15996	0.5
118.98457	0.6
119.01912	6.1
121.02882	0.9
127.02415	1.0
131.00851	0.6
137.02917	2.1
143.01819	0.7
145.03438	9.0
153.03839	0.8
157.03432	1.1
161.02956	1.5
163.04457	0.8
169.03421	9.7
171.05029	2.3
173.02919	0.6
173.24979	0.6
174.19728	0.6
174.68172	0.6
175.04518	0.9
185.02948	3.3
185.06439	0.6
187.04514	17.7
189.02293	0.7
189.05989	0.8
195.05002	1.4
197.02975	3.1
203.03931	1.2
205.05565	2.7
211.04535	0.7
213.06067	1.2
215.03969	3.3
221.02855	1.1
223.04485	1.4
229.05544	6.9
237.03448	16.5
237.05768	0.8
238.03801	0.6
241.05437	0.8
247.04428	0.8
247.06624	4.6
249.04678	0.6
253.00841	100.0
254.01146	2.1
255.07088	0.8
257.05005	1.1
273.08072	0.6
275.06091	46.6
276.06375	2.3
283.06693	0.9
293.07138	9.9
301.07681	7.0
303.05511	3.4
316.08777	2.1
329.07211	2.9
341.07364	0.7
347.08176	1.9
361.02048	0.7
362.99533	0.6
381.00482	0.8
389.09256	12.6
390.09564	0.9
407.10306	13.3
425.06158	1.0
425.11307	7.3
430.12039	1.1
449.03119	1.6
467.04645	1.7
485.04825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
65.03914	1.4
67.05474	0.8
68.99771	1.2
69.07056	0.4
70.22758	1.4
79.05468	0.3
81.03383	0.7
81.07027	0.6
85.02863	0.9
91.05466	5.5
92.02615	3.0
93.03401	2.8
93.06989	0.6
95.04958	12.3
103.05441	1.2
107.04958	1.8
107.08540	0.6
109.02831	1.0
109.06467	0.9
111.00780	1.8
117.06977	0.4
119.04929	17.3
119.93743	0.4
121.02837	4.3
121.06492	0.9
123.04416	22.3
124.04765	0.4
126.03101	1.3
127.03889	0.5
131.04860	0.5
133.06479	0.4
135.04381	0.9
137.02324	6.3
137.05952	5.2
138.06287	1.7
139.03891	0.6
145.06400	1.0
147.03319	0.6
147.04388	8.5
149.02322	0.9
151.03894	0.5
151.07509	0.4
153.01808	25.9
155.01634	2.2
155.02652	0.4
155.04919	0.3
156.01884	1.1
157.06459	0.4
161.05956	1.3
162.06561	0.6
163.03862	1.1
163.07463	1.2
164.07895	0.5
165.01817	3.5
165.05464	6.7
166.02551	1.3
173.05940	0.9
177.09035	0.6
178.09348	0.6
179.01682	0.8
179.03323	0.8
180.01799	0.4
181.03140	1.0
182.03461	0.5
182.15382	0.4
183.02834	1.2
183.04395	0.7
187.03865	0.6
191.03387	0.5
191.10599	0.7
192.10992	0.5
195.02916	0.7
195.04617	0.5
200.04640	0.5
201.05434	4.1
203.03265	2.2
203.10597	0.6
204.10976	0.8
205.04964	0.8
217.04947	4.5
217.12158	0.9
218.05701	1.0
218.12552	1.4
219.02888	0.7
219.06386	0.4
228.04172	3.8
229.02750	0.7
229.04924	9.6
231.02859	1.6
242.04716	0.5
245.04424	5.1
246.05188	3.2
247.05937	1.3
256.03738	0.7
257.04453	5.5
258.05023	0.4
260.03201	0.6
273.03894	4.6
274.04709	8.6
275.05264	0.4
284.03104	0.9
285.03845	2.8
287.01938	0.4
301.03372	4.8
302.04175	31.3
303.04956	98.3
304.05249	3.2
305.05637	0.5
327.05048	0.5
360.13574	1.3
386.14957	3.4
414.14780	0.9
421.09061	1.9
449.18271	1.2
467.09695	100.0
468.10092	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	466.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39592	0.4
55.05490	0.5
56.27206	0.5
57.07076	5.9
58.06564	1.8
65.03922	2.3
65.04530	0.4
67.05474	0.6
70.06586	16.2
70.25276	2.2
71.04961	0.5
71.08619	2.6
72.08128	0.5
79.05434	0.5
81.07043	1.2
84.08127	0.7
85.10162	0.7
88.07626	18.8
91.05442	0.7
100.02744	0.4
102.08538	0.8
102.09172	15.0
105.06963	0.5
121.02850	1.0
123.04427	0.5
135.11765	0.4
139.03894	1.6
142.69667	0.4
149.02336	56.0
149.03415	2.9
150.02670	0.7
193.04956	57.7
194.05183	0.9
212.23738	0.7
228.19727	0.5
237.07565	66.3
238.07841	0.9
256.26340	50.7
257.26743	0.8
300.28967	2.3
333.47220	0.6
337.04767	0.5
457.51373	0.5
466.31644	100.0
467.31924	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89924	1.5
55.05280	1.3
55.05506	7.9
55.61602	1.3
57.03434	9.4
59.66682	1.3
61.02906	3.6
61.37560	1.4
67.05504	25.2
69.03432	16.4
69.07079	8.1
70.05901	7.6
71.04996	6.9
79.05492	12.8
81.03419	2.1
81.07055	39.4
83.04984	3.3
83.08611	5.1
85.02901	19.7
85.06543	3.4
86.03239	1.7
87.04464	10.9
91.03963	1.8
91.05483	9.9
93.07049	20.5
95.04978	2.4
95.08597	10.6
97.02896	12.2
97.06534	3.9
99.04497	2.1
99.08083	1.5
105.07018	3.4
107.08592	11.5
109.02869	1.7
109.06512	1.9
109.10133	3.1
111.08086	3.6
111.11720	4.0
115.03931	13.8
117.07006	4.0
119.08589	2.3
119.74552	1.3
121.06593	1.5
121.10165	9.5
123.11679	1.8
127.03886	1.8
128.44443	1.4
131.08563	4.5
133.04964	18.4
133.10107	5.6
135.08075	2.1
135.11676	5.3
137.13248	3.3
139.11151	1.6
145.04964	2.5
149.13266	19.4
150.07614	2.8
153.01816	2.6
155.14302	2.4
159.11736	9.2
176.24695	1.2
176.57990	1.6
177.12767	5.4
179.14226	1.7
195.13806	7.7
210.49452	1.4
269.17468	100.0
292.57709	1.6
303.05011	16.5
304.05331	32.7
319.04483	3.5
320.04846	9.3
357.72726	1.5
416.59720	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41365	1.8
55.05498	3.1
57.03420	3.8
67.05502	22.6
69.07066	9.4
71.05003	3.1
71.29253	2.8
71.29578	2.5
79.05498	12.5
81.03451	2.4
81.07050	29.2
83.04938	2.0
83.08614	4.0
83.70910	2.3
85.02893	3.7
89.79636	2.1
91.05460	7.5
93.07032	20.7
95.08604	7.8
96.52762	2.1
97.06493	6.3
107.08606	12.3
111.08109	2.9
117.06956	2.9
121.10136	6.1
133.10164	5.2
135.11658	6.0
148.73819	2.1
149.13268	14.3
159.11688	7.7
167.56415	2.2
171.06761	2.1
177.12733	9.9
179.14374	2.7
195.13817	5.2
258.04691	2.5
269.17456	100.0
303.05084	3.6
304.05316	9.2
320.04868	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	466.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.6
57.03410	1.7
57.74029	1.3
65.03897	2.6
67.05486	1.4
68.99792	1.3
69.03429	2.4
69.53407	2.0
69.53807	10.6
71.04971	5.3
72.51846	1.2
74.00653	2.5
79.05477	3.9
81.07024	3.0
85.02884	4.5
88.03957	2.3
91.05466	9.8
92.02597	1.9
93.03381	4.0
93.07021	1.8
94.04192	2.2
95.04972	11.5
95.08598	2.1
97.02892	1.7
100.24124	1.2
103.05460	6.2
105.06997	2.2
107.04929	3.6
109.06483	3.3
111.00719	1.4
115.05440	2.4
117.07051	6.6
119.04926	13.9
120.01148	1.4
121.02845	4.6
122.02763	2.1
122.03641	6.2
123.02631	2.9
123.04424	24.3
126.03146	1.4
127.02124	6.7
129.07008	3.4
131.04924	16.4
131.08545	5.5
133.06453	2.5
135.02618	2.0
137.02319	6.0
137.05962	100.0
139.02133	2.2
139.03889	2.2
141.06853	1.2
143.04933	2.0
143.08499	1.6
144.05681	2.2
145.06450	15.2
147.04413	11.5
147.08015	2.6
148.05170	8.7
148.67485	1.4
149.00555	4.9
149.05959	9.0
151.02106	3.6
151.07516	9.1
153.00038	2.3
153.00560	1.6
153.01831	18.5
155.01604	41.0
155.04907	1.4
155.08495	1.8
157.06476	4.6
157.10091	4.3
159.08044	7.8
161.05948	16.1
162.06735	9.7
163.02113	5.1
163.07510	19.6
165.01825	3.8
165.03696	1.4
165.05449	4.6
165.09077	2.0
167.01656	6.2
169.03165	11.2
171.08057	3.5
173.05934	1.9
173.09616	4.4
175.07520	4.8
176.08281	3.7
177.09102	25.5
178.03227	1.5
179.01587	22.2
181.03169	27.1
182.06020	1.2
183.02925	2.1
183.08121	1.8
185.09622	7.1
186.10355	1.7
187.07504	2.4
187.11142	2.2
189.00047	2.4
189.03650	1.9
189.09067	4.4
191.06970	2.3
191.10628	22.3
193.03201	2.8
195.04753	15.0
196.04257	10.2
197.02614	3.1
201.05479	2.7
201.09044	3.2
201.12788	1.5
202.09834	3.6
203.03392	2.1
203.05249	3.2
203.10605	13.0
205.12288	7.0
207.01021	1.8
207.04776	3.2
209.06253	4.1
217.04926	3.0
217.06766	2.4
217.12207	31.1
218.12836	2.3
219.13698	1.4
221.06241	2.4
225.02115	13.2
228.04189	2.8
229.04865	7.7
229.12137	2.5
230.05031	1.3
231.02834	1.3
235.07809	12.1
242.04836	13.7
243.08484	2.9
243.13855	2.2
245.04425	5.4
246.05135	1.6
257.04376	5.0
273.04044	2.8
274.04767	6.1
285.03876	3.0
301.03253	3.1
302.04141	25.2
303.04956	88.4
304.05289	13.7
312.12451	2.2
313.12427	2.3
319.04425	4.9
320.04797	10.3
327.10510	2.2
341.12003	1.9
353.12061	2.9
359.13031	29.7
367.13577	2.9
385.14618	69.1
386.14932	3.1
413.14017	9.9
448.17807	24.6
466.19058	8.2
467.09683	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	465.2996
Annotation	Stellettin F
Peak:m/z	Relative Intensity
55.01863	5.0
55.05510	14.7
57.03414	7.6
57.07061	4.7
65.03941	3.6
67.05500	19.8
68.26338	2.5
69.07068	22.6
70.77359	7.8
71.04974	6.7
71.08611	2.9
73.02911	5.8
75.39878	2.5
79.05480	9.4
81.07043	21.3
83.04975	4.0
83.08608	13.5
85.02879	6.2
85.06528	6.0
85.10178	3.6
91.05463	11.4
93.07043	17.0
95.04944	3.4
95.08599	26.6
97.06494	2.8
97.10139	7.4
98.98458	28.9
103.05416	2.6
105.07039	26.6
107.08592	21.1
109.10139	11.9
111.08055	4.0
113.05971	4.5
117.06992	4.6
119.08559	25.9
120.49454	3.0
121.06499	2.9
121.10123	13.2
123.08025	3.7
123.11703	6.7
129.05464	3.4
129.06992	7.3
130.07773	2.6
131.04942	3.4
131.08563	16.9
133.10095	16.8
135.07994	4.9
135.11655	20.3
136.99966	2.8
137.09569	3.5
142.07784	4.6
143.08543	11.9
145.10101	25.0
147.11642	13.2
149.09621	7.4
149.13229	5.2
153.01753	2.7
153.09102	5.0
155.00996	15.3
155.08513	5.5
157.10130	15.8
158.10851	5.3
159.11674	18.7
161.09622	3.5
161.13257	15.3
163.11201	6.3
163.14796	4.6
165.09109	3.3
169.10109	9.0
171.11708	11.1
173.13242	29.7
175.11124	3.5
175.14798	19.1
177.12718	7.2
181.10115	4.4
182.10956	2.7
183.11749	5.5
185.13243	9.8
187.14816	18.2
189.12805	5.0
191.10706	3.9
191.14288	9.2
195.11757	4.1
197.13229	9.6
199.14790	23.9
201.12776	6.1
201.16396	8.4
203.14302	6.1
205.15845	2.9
207.13814	4.4
209.13269	3.2
211.14844	8.7
213.16367	7.0
221.15413	3.3
223.14775	3.3
225.16364	3.8
227.14371	2.7
227.17882	3.2
229.15848	2.9
231.13783	2.9
233.15367	43.2
237.16466	5.5
237.22194	4.9
239.17969	3.1
245.15350	4.7
247.16928	13.1
251.17865	5.8
253.19409	3.8
263.17941	3.9
267.21014	3.6
303.04874	21.4
304.05579	3.6
311.25812	49.0
312.26050	3.8
319.04422	11.7
332.54492	2.7
363.23047	3.6
401.28458	22.5
403.08243	2.8
403.29858	7.2
419.29404	100.0
420.29535	8.4
421.31082	39.3
423.25247	3.1
437.30621	4.9
447.29483	16.0
465.29996	78.3
466.30179	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	465.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01859	4.8
55.05509	26.7
57.03433	17.0
65.03946	3.4
67.05503	67.7
69.03425	4.1
69.07065	19.1
69.70083	8.2
69.70517	4.9
70.16172	1.5
71.01330	4.2
71.04992	17.4
79.05043	3.2
79.05486	60.3
81.02961	3.0
81.03414	41.2
81.07052	51.9
83.04980	20.1
83.08622	19.5
85.02905	31.8
85.06538	4.8
91.05473	44.7
93.07038	58.8
95.04962	42.2
95.08612	15.7
97.02897	2.0
97.06516	14.2
97.10165	15.0
99.08071	3.8
105.04507	1.6
105.07027	24.8
106.64452	1.6
107.04946	8.6
107.08591	32.0
109.06509	7.3
109.10161	9.3
111.04434	2.6
111.08076	10.2
115.05467	2.9
117.07022	12.8
119.08572	22.7
121.06505	3.8
121.10133	12.0
123.08066	5.7
123.11674	2.1
125.09644	5.3
129.07011	11.1
131.08565	11.0
133.06517	3.5
133.10123	14.0
135.08086	1.6
135.11684	40.1
137.09639	2.9
142.07726	3.1
143.08617	2.2
145.10104	11.0
147.08075	3.3
147.11700	11.7
149.09573	5.2
157.10136	10.5
159.11691	4.1
163.11168	7.4
165.12758	3.4
173.11623	1.6
175.11145	13.8
181.12224	6.6
187.11256	1.8
189.11288	2.1
193.12230	41.2
211.11263	2.9
211.13286	47.7
223.13184	3.1
229.04971	2.5
245.04474	2.0
255.15857	7.6
255.69719	1.6
257.04489	4.2
267.15945	5.2
289.03708	2.3
303.04977	100.0
304.05386	6.9
319.04474	21.8
329.21088	4.6
347.22635	2.5
355.22504	2.5
373.23688	7.8
391.35873	1.8
403.25192	2.5
447.27594	8.3
465.08151	5.8
465.28445	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	465.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90923	2.3
53.03930	8.0
55.01864	5.6
55.05508	40.1
57.03437	25.3
57.07054	2.4
65.03930	3.2
67.05501	100.0
69.03426	6.3
69.06736	2.8
69.07062	24.9
71.01347	2.8
71.04990	11.3
71.41234	2.7
71.41577	3.8
74.59876	1.9
78.27613	2.1
79.05487	96.8
81.02956	3.9
81.03415	75.5
81.07051	72.1
83.04976	22.4
83.08609	32.3
85.02905	38.8
85.06525	10.1
91.04940	4.4
91.05478	80.3
93.07037	88.8
95.04964	66.3
95.08588	26.5
97.02831	2.8
97.06538	20.2
97.10160	18.6
99.08059	3.6
105.06356	2.8
105.07026	37.8
107.04946	11.1
107.08589	58.1
109.06501	9.6
109.10146	14.2
111.08089	16.0
113.05984	4.1
116.06284	2.0
116.23724	2.0
117.06994	14.3
119.04890	3.0
119.08569	34.4
121.06511	8.9
121.10148	16.1
123.08044	5.2
123.11688	4.1
125.09626	7.8
129.07014	16.7
131.08545	16.3
133.06415	3.5
133.10133	16.2
135.08041	6.1
135.11681	70.4
137.09596	4.2
142.07788	4.6
143.08598	3.3
145.10124	16.4
147.08067	3.3
147.11670	15.6
149.09598	8.1
153.12772	3.6
157.10089	15.7
159.11684	5.9
161.09596	2.7
163.11130	13.7
165.12750	4.9
175.11185	19.6
177.12759	3.6
181.12241	9.4
187.11195	2.9
189.11150	2.2
193.12231	83.8
193.14011	4.5
211.13287	79.8
216.76605	2.1
219.13837	2.6
223.13274	2.9
229.14391	3.3
237.14758	2.6
249.14890	3.7
255.15915	9.2
267.15927	8.5
303.04810	12.8
311.50351	2.3
319.04532	4.5
329.20990	12.0
347.22028	5.7
355.22684	6.5
373.23544	13.0
403.24725	3.0
421.25897	3.3
422.26547	2.0
447.27417	12.9
465.28412	96.1
478.46515	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	465.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.0
55.01859	5.3
55.05267	4.6
55.05506	37.9
57.03431	21.0
57.07072	3.2
65.03908	5.0
67.05500	100.0
69.03416	8.4
69.07067	29.1
70.06581	4.8
71.01344	3.7
71.04990	18.5
71.72163	3.8
71.72567	3.5
79.05486	89.2
80.05782	4.0
81.03412	55.5
81.07050	83.4
82.07381	7.9
83.04969	24.2
83.08613	22.1
85.02897	29.1
85.06506	4.9
91.05477	77.4
92.05801	4.2
93.07040	88.6
94.07377	4.9
95.04958	71.6
95.08597	33.4
97.02851	3.5
97.06512	18.5
97.10143	20.3
99.08087	4.1
102.09169	3.8
105.07022	47.6
107.04933	17.0
107.08576	49.5
109.06503	11.5
109.10141	14.3
111.04452	3.5
111.08106	15.5
117.07013	16.6
119.08551	33.2
121.06480	8.4
121.10149	18.9
123.08038	5.5
123.11674	4.1
125.09581	4.6
129.06982	10.6
131.08528	19.5
133.06410	3.0
133.10136	23.9
135.08008	3.9
135.11685	54.8
139.65410	3.1
142.07774	4.7
143.08530	5.3
145.06427	4.0
145.10114	15.0
147.11684	14.4
149.02313	9.0
149.09619	9.6
149.13234	10.4
157.10095	10.3
159.11649	7.6
163.11099	15.6
165.12904	2.9
175.11186	16.5
181.12241	9.8
193.04964	12.5
193.12215	53.3
198.11726	3.3
211.13264	57.5
215.85075	3.3
223.13284	7.0
237.07588	6.9
249.14865	3.7
255.15805	9.1
256.26431	5.9
267.15912	5.6
303.04987	36.6
319.04459	17.0
329.21149	12.9
347.22000	6.2
355.22592	7.1
373.23804	19.1
403.24777	7.7
421.25665	7.0
447.27441	11.6
465.28204	78.8
466.31662	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
55.05501	4.8
57.03434	6.4
61.02914	3.5
62.15718	1.0
67.05496	14.6
69.03413	2.3
69.07064	7.1
71.04990	11.8
73.02892	2.9
75.51057	1.2
79.05484	8.6
81.03399	2.4
81.07050	49.2
82.07386	1.2
83.04971	4.1
83.08591	4.4
85.02896	15.1
85.06529	3.9
91.03913	3.0
91.05479	15.2
93.07049	7.7
95.04969	1.9
95.08611	9.3
97.02872	3.1
97.06509	3.6
97.10165	2.5
99.08073	2.2
105.07026	20.8
107.08593	9.1
109.02869	1.6
109.06510	2.9
109.10110	1.2
111.00761	1.4
111.08061	1.4
119.08571	14.7
121.10140	13.3
123.08064	2.6
123.11703	18.2
127.03891	1.4
127.07513	1.5
129.05475	1.5
131.08548	1.4
133.10120	2.6
137.02293	1.9
137.13213	1.9
145.04990	1.3
145.10170	1.2
147.11684	45.5
153.01840	4.8
157.10101	1.4
165.01811	1.7
165.12746	23.2
183.02805	2.5
183.13823	3.4
193.12218	1.8
211.13210	1.6
229.04904	2.3
229.14346	9.8
245.04399	1.3
257.04398	1.8
267.15897	36.9
268.16214	1.6
285.16946	100.0
286.17307	3.5
303.04977	46.7
304.05225	3.5
319.00757	1.2
319.04504	25.3
320.04938	1.7
323.41992	1.4
447.21951	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	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01852	0.2
68.99783	0.3
71.71841	0.3
81.03361	0.2
81.79748	0.2
85.02931	0.3
91.79839	0.1
97.02906	0.2
109.02819	0.2
111.00790	0.2
121.02858	0.3
125.02300	0.2
131.04893	0.3
135.04390	0.2
139.03920	0.2
139.35213	0.2
145.06465	0.3
149.02339	0.7
150.03096	0.8
153.01773	1.3
155.04900	0.2
159.04395	0.3
161.06004	0.3
163.03922	0.3
164.77676	0.2
165.01808	0.5
171.04410	0.2
173.05977	0.7
179.03358	0.3
183.04395	0.4
187.03931	0.3
187.93874	0.2
191.03380	0.6
191.93896	0.2
195.38240	0.2
200.98373	0.2
201.05435	1.0
205.04860	0.3
213.05498	0.4
215.03351	0.3
219.06456	0.2
229.04953	3.6
230.05402	0.2
247.06006	0.5
257.04456	3.6
258.05179	0.4
285.03952	0.2
298.75226	0.2
303.04965	100.0
304.05313	4.2
427.31403	0.1
461.95203	0.2
465.09680	0.9
465.20779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60397	1.9
55.05497	3.7
57.03432	28.3
57.07079	16.2
59.04989	12.5
59.75531	2.1
67.05505	17.1
67.82699	2.0
68.99819	1.9
69.03424	96.2
69.07067	12.6
71.01337	2.3
71.04971	5.9
71.27745	3.2
71.28066	2.1
72.59786	1.9
73.02913	3.0
75.04478	3.8
79.05480	2.3
81.03409	5.2
81.07041	6.3
83.04996	2.7
83.08614	6.4
85.02892	66.5
85.06522	8.8
87.04461	53.7
91.05446	4.0
93.07024	6.0
95.04958	7.5
95.08597	84.3
97.02883	52.9
97.06480	5.7
99.04420	2.6
99.08103	9.7
107.08591	9.0
109.06528	21.5
109.10148	18.4
111.08075	7.4
113.09637	100.0
115.03922	58.1
121.06568	2.5
125.02329	2.0
127.03886	3.7
127.11198	17.2
133.04955	58.2
135.07959	2.1
135.11650	11.7
137.09592	2.9
137.13245	7.3
139.03815	4.8
151.03888	2.1
151.95067	2.1
153.01804	4.6
153.12732	72.9
155.14310	23.3
159.92508	1.9
163.03839	1.9
169.35124	2.2
171.13799	42.0
177.12723	7.4
179.03392	2.2
179.05585	3.2
195.13802	5.4
213.14815	18.4
229.05020	4.0
249.14763	2.8
257.04495	2.6
267.11353	2.9
267.15842	4.0
279.15906	3.8
297.03882	4.9
301.03381	4.0
303.04971	96.7
303.13437	3.7
304.05301	10.4
310.52710	2.3
319.04288	3.7
329.02933	21.7
343.04483	7.7
373.05252	3.4
398.44150	2.2
465.10016	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	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01857	0.4
57.03424	0.3
59.58403	0.2
61.02907	0.5
67.05482	0.2
68.99774	0.2
69.03410	0.4
69.46912	1.9
73.02903	0.4
75.25300	0.2
81.03381	0.3
85.02915	1.0
88.54324	0.2
91.03948	0.4
91.15871	0.2
95.08601	0.3
97.02892	0.4
106.47666	0.2
108.09621	0.2
113.09598	0.3
115.03898	0.2
121.02831	0.6
123.04391	0.2
133.04936	0.2
135.04379	0.2
137.02316	1.3
143.04808	0.2
145.06441	0.4
149.02295	1.0
150.03136	0.5
151.03903	0.2
153.01820	1.5
153.12689	0.2
159.04427	0.2
163.03911	0.3
165.01813	0.7
171.04395	0.2
173.05948	0.8
179.03331	0.3
183.04417	0.4
187.03889	0.3
191.03336	0.4
201.05527	0.9
202.32675	0.2
205.04878	0.3
213.05399	0.3
215.03339	0.3
219.00574	0.2
219.02687	0.2
219.06694	0.2
229.04927	3.9
239.03389	0.2
247.05966	0.5
257.04422	3.3
285.03958	0.3
303.04962	100.0
304.05273	3.4
304.08566	0.3
319.04221	0.2
323.80884	0.2
465.10083	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	465.1022
Annotation	Myricetin-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03416	3.4
61.70216	1.4
71.04629	1.9
71.04987	27.8
75.19727	1.6
84.25893	1.4
85.02901	25.8
98.21462	4.9
129.05479	8.5
153.01822	8.3
165.01833	3.7
171.04471	1.8
183.02890	1.5
217.04961	4.3
245.04524	3.8
273.03891	3.6
292.58691	1.7
301.03409	2.1
303.04984	18.8
319.04474	100.0
320.04718	3.0
361.05597	2.9
377.05164	1.7
429.08325	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05517	12.3
57.06807	2.4
57.07072	31.0
66.47513	1.8
67.05492	5.7
67.77878	1.9
69.07066	20.6
69.40738	12.0
69.41153	7.0
71.08631	21.8
79.05486	4.8
81.07069	17.6
83.08623	13.1
85.10168	12.1
91.05476	3.2
93.07017	8.1
95.08579	16.0
96.37206	1.8
97.06532	3.2
97.10168	10.0
99.04443	5.0
105.07015	6.0
107.08564	5.8
109.06506	11.1
109.10130	6.8
111.08072	1.9
111.11698	5.1
119.08593	4.9
121.10124	1.9
123.08058	12.2
123.11697	2.8
125.05998	12.7
127.07545	42.4
131.08533	2.2
133.10121	2.9
135.08049	2.4
137.05981	4.5
137.09636	3.9
139.07536	100.0
149.05931	4.1
149.09621	2.3
151.07532	5.5
159.11641	2.4
163.14104	1.8
165.09117	3.5
167.07069	4.8
177.09116	14.4
179.10823	2.1
226.54440	2.1
249.18712	2.3
301.28845	3.0
319.29861	9.9
347.33112	14.4
373.31000	2.9
403.35522	3.9
417.37289	10.3
427.35483	2.4
445.30801	1.5
445.36725	36.2
463.37778	21.0
464.38266	2.4
466.98703	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	464.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07997	0.8
51.02351	1.0
53.03946	5.3
55.01852	1.0
55.05509	6.4
57.03430	8.7
59.04980	1.6
60.04531	1.8
61.02909	1.9
65.03928	1.9
67.05476	2.8
69.03424	34.4
69.07059	3.7
71.02138	1.4
71.02448	1.5
71.04978	3.0
73.02905	1.1
75.04481	1.2
75.80475	0.8
79.05486	18.7
81.03387	3.0
81.07051	4.9
83.04956	1.2
83.50269	0.8
85.02402	1.8
85.02902	27.1
87.04460	24.2
87.05003	1.2
91.05467	26.4
93.07037	89.9
95.04969	7.7
95.08590	2.6
97.02886	26.0
99.04420	1.7
104.96439	1.0
105.04511	1.7
105.07021	9.0
107.08585	100.0
108.08909	2.1
109.06510	2.7
109.10183	1.5
110.33744	0.9
110.89902	0.9
112.93088	0.9
115.03926	37.3
119.06051	1.8
119.08578	2.7
121.10130	5.7
127.03898	3.3
133.04956	38.8
133.10109	3.4
135.11682	56.3
145.04938	3.6
145.10091	0.9
147.11678	1.1
150.07602	8.3
153.01810	1.2
154.83153	0.9
177.12750	1.8
249.14880	0.9
259.08127	1.3
296.99930	1.1
303.04956	16.4
319.04468	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	463.3777
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05507	16.4
57.07067	34.5
66.63114	2.6
67.05484	11.6
67.05807	2.7
69.07063	29.5
70.05107	13.8
71.08628	21.5
71.56004	3.0
79.05490	6.0
81.07054	21.3
83.08611	18.1
85.10172	13.7
91.05470	5.8
93.07032	9.3
95.08594	16.3
97.06573	3.6
97.10183	9.4
98.21362	4.9
99.04454	6.6
105.07001	7.2
107.08578	7.0
109.06515	14.5
109.10127	8.4
111.08052	3.2
111.11687	5.1
119.08552	5.6
121.10156	6.9
123.08067	10.2
123.11713	5.3
125.05985	14.8
127.07539	49.1
127.08418	4.2
133.10085	4.6
135.08052	4.3
135.11665	3.0
137.05962	7.0
137.09599	3.6
139.07524	100.0
139.08578	6.7
149.05917	3.5
149.09673	2.8
151.07500	6.2
152.37933	3.7
165.09050	3.7
167.07007	6.3
175.11226	4.3
175.35800	3.1
177.09058	18.0
249.14999	4.8
301.28931	3.1
319.29956	19.4
347.33011	19.5
373.30920	5.1
403.35358	4.8
417.37100	20.8
427.35367	3.9
445.36731	73.1
463.37769	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3778
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05502	43.9
57.07069	40.2
67.05502	24.8
69.03405	4.0
69.07063	81.3
69.36528	4.3
71.08627	26.3
71.72978	5.0
72.93880	3.8
79.05466	14.3
81.07050	100.0
83.08606	53.4
85.02897	24.5
85.10164	11.6
86.09325	3.7
91.05468	5.1
93.07005	8.1
95.08601	75.5
97.10163	38.8
105.07019	12.3
107.08595	7.7
109.06502	7.5
109.10133	37.2
111.11717	20.5
113.02329	6.4
121.10162	7.4
123.08080	6.1
123.11707	22.3
125.13273	6.0
133.06476	15.7
137.05942	13.7
137.09622	4.7
137.13251	13.1
139.57263	3.7
147.11830	5.8
149.05981	6.3
151.07524	42.6
151.14801	8.6
151.55569	3.8
153.05435	5.6
157.10118	5.4
159.11702	5.2
159.28577	4.2
161.09517	6.1
165.09109	6.7
166.41594	3.9
167.07039	28.8
169.08600	15.9
171.11650	7.3
177.09032	4.6
179.07045	17.2
181.05048	4.1
181.08585	18.8
189.12851	4.8
195.10165	7.7
197.08054	27.1
203.10599	6.5
221.11732	13.1
223.13173	6.7
237.14888	14.1
249.14861	19.0
256.37964	4.0
263.16519	3.9
277.18100	3.7
277.28830	11.5
291.19614	4.2
363.28665	4.8
375.28946	4.8
379.71619	3.8
427.35651	34.0
445.36710	80.3
446.37057	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	463.3776
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05505	18.5
57.07067	22.1
60.32951	2.4
66.27678	2.9
67.05495	8.2
69.07062	34.8
70.20921	4.2
70.21326	11.1
71.08623	15.0
71.23154	3.0
79.05479	6.7
81.07069	19.4
83.04983	5.2
83.08602	23.9
85.10170	9.9
90.30760	2.7
91.05470	5.2
93.07047	14.3
95.04957	6.0
95.08604	13.6
97.10158	14.8
105.07013	7.2
107.08573	14.8
109.06506	12.0
109.10136	9.9
111.08101	5.6
111.11701	9.6
119.08572	3.8
121.06492	3.6
121.10143	6.3
123.08063	8.0
123.11684	3.4
125.06015	6.2
125.13251	3.4
131.08521	6.5
135.08063	7.0
137.05965	22.8
137.13286	4.1
139.07529	40.2
147.11749	3.1
149.05927	3.9
149.09612	9.0
149.13191	4.8
151.07533	19.2
153.09114	2.9
155.07022	4.1
159.11656	3.0
161.09579	2.5
163.11171	4.9
165.05487	12.2
165.09161	3.8
167.07018	12.1
175.11284	3.7
177.09091	100.0
179.06985	14.0
179.10556	3.7
181.08580	7.0
189.12724	4.2
193.08588	8.3
203.10724	3.4
207.13823	3.1
219.13733	3.2
263.16422	2.8
274.08347	2.8
277.21536	3.0
367.69513	2.9
394.49695	3.2
399.36078	12.9
403.35641	20.0
417.37186	11.9
427.35651	18.9
445.36728	60.1
463.31317	2.8
463.37912	13.8
468.56781	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	463.305
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03948	5.0
55.01859	3.2
55.05509	18.1
57.03439	7.5
57.07068	3.0
65.03924	3.5
67.05502	78.0
69.03429	1.4
69.07064	26.9
69.42686	2.7
69.43102	6.2
71.01338	1.1
71.04998	5.8
79.05490	48.2
81.03424	3.0
81.07051	100.0
83.04973	8.4
83.08615	21.2
85.02915	0.9
85.06537	5.4
91.05476	28.1
91.06056	1.5
92.05838	0.9
93.07038	72.7
95.04979	10.1
95.08599	25.7
96.08907	0.9
97.06515	15.1
97.10178	2.1
98.21432	1.5
99.08068	4.2
105.04482	1.0
105.07021	10.8
107.04979	1.6
107.08591	37.5
109.06503	4.7
109.10146	3.1
111.08081	7.4
113.09660	1.1
117.07018	10.7
119.08587	3.8
121.06503	2.5
121.10130	22.6
123.08091	1.4
123.11688	3.3
125.09599	1.7
131.08569	11.6
132.04947	0.9
133.10103	11.4
133.49849	1.0
135.08067	1.9
135.11684	11.8
139.11169	1.2
145.10069	1.0
147.11676	1.9
149.13248	46.1
151.11166	2.1
157.10104	1.0
159.11700	17.6
177.12740	8.5
195.13800	20.1
213.14894	2.8
233.15457	1.3
301.07117	0.9
353.24823	1.1
445.29700	1.9
463.30566	61.0
464.31033	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	463.3051
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03940	7.4
55.01888	5.2
55.05505	22.6
57.03434	8.2
57.07053	3.6
61.29324	2.8
63.26384	2.9
66.58464	3.1
67.05500	81.9
68.18336	2.8
69.07067	31.5
71.04982	5.8
71.72554	3.8
79.05490	55.4
81.03410	5.0
81.07050	100.0
83.04982	8.5
83.08590	16.1
85.06554	6.0
91.05475	52.8
93.07034	72.6
95.04956	12.9
95.08595	26.7
97.06521	11.8
99.08088	7.5
105.07007	30.1
107.04945	4.4
107.08588	33.6
109.06543	6.6
109.10154	9.1
111.08103	7.9
111.09639	2.7
117.07016	21.4
119.08556	19.6
121.06477	4.1
121.10139	19.1
123.11742	3.3
129.06981	10.2
131.07645	4.4
131.08560	27.1
133.10139	18.3
135.08099	5.2
135.11699	14.5
141.06992	3.7
143.08553	9.0
145.10114	13.4
149.13252	38.2
155.08574	4.5
159.11700	20.4
162.95163	3.0
169.09982	4.2
171.11690	5.7
177.05339	4.6
177.12723	8.3
195.13771	13.1
211.14749	4.5
299.10959	3.2
335.23566	4.3
343.26471	4.1
353.24799	14.6
370.63483	3.7
371.25613	17.5
389.26822	15.6
445.12863	4.7
445.29404	38.3
463.30438	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03944	4.6
55.01856	2.7
55.05239	1.3
55.05505	20.3
57.03429	6.4
57.07068	2.4
60.89975	1.1
64.35463	0.9
65.03927	2.7
67.05499	73.1
68.05853	0.9
69.07059	24.4
69.94382	2.2
69.94794	4.7
70.07356	1.2
71.04971	6.2
71.08624	1.7
72.96707	0.9
78.40703	1.0
79.05486	55.5
80.05832	1.3
81.03410	3.7
81.07048	100.0
82.07396	1.0
83.04976	7.0
83.08611	17.8
84.66370	0.9
85.06540	4.4
91.05472	33.3
93.07037	64.9
95.04955	10.6
95.08599	26.5
97.06519	13.4
97.10162	1.3
99.08091	3.1
102.45573	0.9
105.04507	2.0
105.07019	16.7
106.74371	0.9
107.04961	3.0
107.08588	36.3
109.06498	3.1
109.10174	4.8
111.08072	7.9
113.09633	1.2
115.05473	1.3
115.42987	0.9
117.07008	13.1
119.08584	5.5
121.06500	2.6
121.10135	20.8
123.11703	4.1
125.09718	1.3
129.06995	2.3
131.08556	14.5
133.10107	16.0
135.08072	3.9
135.11676	11.7
139.11180	1.8
142.07780	1.0
143.08586	1.6
145.10104	1.7
147.08061	1.0
147.11707	3.2
149.09621	2.1
149.13239	39.1
150.13599	1.3
151.11244	1.4
155.08554	1.2
156.02591	0.9
157.10161	1.3
159.11700	15.2
165.12677	1.0
167.14214	1.6
177.12735	8.2
195.13805	19.0
213.14897	3.3
232.19815	1.1
251.16434	2.0
301.77740	1.0
343.26468	1.2
353.24591	2.6
371.25671	3.8
389.26965	2.4
445.29462	6.2
463.30511	61.0
464.30530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.2
55.01875	3.7
55.05503	27.1
55.34976	3.1
57.03420	11.8
58.13916	3.0
67.05154	4.8
67.05503	90.0
69.07069	30.5
70.83639	2.7
71.04990	5.4
71.72472	3.1
73.23869	2.9
79.05487	66.2
80.49249	2.7
81.03395	4.9
81.07049	100.0
83.04966	8.6
83.08620	26.9
85.06516	9.0
91.05470	80.6
93.07031	89.4
93.96790	3.1
95.04966	14.9
95.08598	46.9
97.06525	12.1
97.10180	3.5
99.08077	4.6
103.05460	3.9
105.07020	59.2
107.04951	5.4
107.08586	42.8
109.06509	10.2
109.10133	12.5
111.08057	9.4
111.55221	3.1
113.05956	2.6
115.05478	4.5
117.07020	29.1
119.08569	35.3
121.06490	6.9
121.10137	27.6
123.08031	3.2
123.11681	3.7
129.06995	18.9
131.08559	52.6
133.06474	4.4
133.10118	33.0
135.08023	5.4
135.11678	10.4
141.06982	7.0
142.07759	3.4
143.08563	19.0
145.10115	24.0
147.08035	3.8
147.11674	8.9
149.09634	11.1
149.13257	26.3
155.08556	11.0
157.10135	12.6
159.11656	26.4
161.09563	3.2
169.10158	8.8
171.11685	10.0
173.13257	6.8
177.12726	3.8
181.10120	6.7
183.11685	5.7
185.13197	4.1
187.14764	7.5
195.11713	4.1
195.13791	12.3
197.13222	7.5
199.14905	5.4
211.14717	4.9
224.31667	3.4
247.17081	4.3
261.18671	4.2
273.18759	3.9
278.64914	3.4
325.25232	8.7
335.23514	8.1
343.26291	11.7
353.24768	28.7
360.74249	3.2
371.25839	42.4
389.26865	34.7
404.19846	3.6
427.27853	3.7
445.29428	46.3
445.54391	3.8
446.29785	6.0
463.30530	69.3
464.30508	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01864	3.2
55.05508	20.4
57.03431	6.9
57.07066	2.7
65.03932	3.1
67.05503	77.4
69.07066	29.7
70.07465	4.4
71.01331	0.9
71.04985	6.6
73.02905	0.8
77.03947	1.1
79.05489	52.7
80.05813	1.1
81.03424	2.9
81.07053	100.0
83.04987	8.2
83.08618	18.1
85.02865	1.0
85.06541	6.7
91.05032	0.5
91.05475	30.6
93.07041	70.5
94.07357	1.2
95.04963	9.2
95.08604	27.4
97.06521	14.3
97.10162	2.3
99.04435	1.0
99.08095	3.7
105.04562	1.4
105.07030	13.1
107.04961	1.3
107.08590	36.8
109.06491	4.1
109.10152	4.3
111.08080	9.8
117.07005	10.9
118.95216	0.8
119.08595	4.0
121.06490	1.9
121.10145	23.0
123.11700	2.3
129.07042	1.9
130.95413	0.7
131.08553	12.2
133.10129	13.7
135.08086	2.3
135.11687	13.0
137.42439	0.8
139.11185	1.7
145.10124	2.0
147.11696	2.3
149.13251	46.6
151.11212	1.1
154.55650	0.9
157.10132	1.6
159.11687	17.0
164.13243	1.0
167.14305	1.3
171.11575	0.9
177.12755	9.9
195.13792	22.7
213.14836	3.3
219.13736	0.8
265.50082	1.0
269.17371	1.4
335.23889	1.2
353.24771	1.0
369.11765	0.9
371.25787	2.1
389.26843	2.0
445.29568	3.2
463.30563	63.3
464.31015	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	463.3052
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02377	0.9
53.03930	3.8
55.01859	2.3
55.05506	18.2
57.03434	7.2
57.07069	3.3
59.43081	0.8
65.03931	3.2
67.05499	77.1
67.65924	0.9
69.06704	1.8
69.07064	27.5
70.09304	4.5
70.09599	0.9
71.04990	6.0
71.08607	1.1
79.05488	49.8
81.03410	2.5
81.07050	100.0
82.71894	0.8
83.04978	8.2
83.08614	16.6
85.06535	5.0
91.05472	28.0
93.07038	72.3
94.07391	1.0
95.04961	9.9
95.08598	24.4
97.06528	15.4
97.10145	1.1
99.08076	4.7
105.04485	2.2
105.07030	9.9
107.08589	35.0
109.06528	3.6
109.10145	3.6
111.08070	9.3
113.06032	1.2
113.09632	1.3
117.07011	10.2
119.08550	4.6
121.06522	1.7
121.10130	23.8
123.08097	1.2
123.11688	1.6
125.09616	1.1
127.07590	0.9
129.06979	1.1
131.08556	10.5
133.10126	9.4
135.08049	1.6
135.11682	11.7
139.11189	2.3
147.11717	2.4
149.09662	1.2
149.13246	52.2
151.11159	0.8
157.10109	0.9
159.11673	19.1
163.52045	0.8
167.14281	1.6
177.12741	10.0
195.13786	16.9
195.15442	1.3
202.02640	0.8
213.14899	2.9
291.21057	0.8
311.23584	0.9
339.76935	0.8
445.29446	0.9
463.30542	63.9
464.30661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.7
52.01481	0.6
53.03932	3.5
54.42499	0.7
55.01861	3.5
55.05505	17.0
57.03436	6.8
57.07078	3.1
59.64500	0.6
65.03947	3.3
67.05499	81.5
68.05812	0.6
69.03398	0.8
69.07063	27.0
69.64729	5.0
71.01365	1.0
71.04992	5.5
71.08636	0.8
73.02907	1.4
77.03901	1.2
78.87939	0.6
79.05486	49.6
80.62045	0.7
81.03411	3.7
81.07049	100.0
82.07381	1.2
83.04977	8.7
83.08611	17.0
85.02872	0.9
85.06525	5.2
88.30545	0.7
91.05040	0.6
91.05470	27.4
93.07034	75.6
95.04962	7.1
95.08597	25.3
97.06525	15.6
97.10143	1.5
99.04495	0.7
99.08090	3.9
105.04504	1.8
105.07011	10.7
105.07658	1.1
107.04940	0.7
107.08584	38.7
109.06518	3.5
109.10140	4.1
111.08069	9.6
113.06036	0.8
113.09643	0.8
115.05447	0.8
117.07014	9.5
119.08572	3.0
121.06526	1.4
121.10129	23.9
123.08067	1.0
123.11708	2.6
125.06019	0.8
125.09657	0.9
129.06987	1.0
129.09308	0.6
131.08560	11.3
133.10124	8.2
135.08047	2.3
135.11685	11.8
139.07483	0.8
139.11148	2.4
145.10039	0.9
147.11691	2.2
149.09653	1.5
149.13242	50.5
151.11147	1.5
153.09100	0.9
159.11671	20.5
167.14410	1.2
173.51892	0.6
177.12738	10.7
195.13782	20.2
196.14273	0.9
213.14868	2.8
251.16502	1.1
269.17578	0.8
377.00977	0.7
378.75012	0.7
445.29431	0.8
447.26285	0.7
449.50665	0.8
457.50577	0.7
463.30539	66.7
464.30817	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01861	2.1
55.05282	1.3
55.05510	16.6
57.03435	6.0
57.07070	2.3
65.03924	3.5
67.05499	76.8
69.07066	27.5
71.04994	5.2
71.08652	0.9
73.02918	1.1
73.06554	1.1
79.05486	46.0
81.03410	2.2
81.07049	100.0
83.04974	8.8
83.08614	17.8
85.06536	6.0
91.05472	24.7
93.07038	72.6
95.04955	7.5
95.08599	22.8
97.06517	14.8
97.10170	2.1
99.08068	4.5
99.97382	1.1
102.49985	0.8
105.07015	8.8
107.08584	38.2
109.06498	3.5
109.10123	5.3
111.08055	8.2
111.11708	1.3
113.06057	1.2
113.09657	1.5
114.69985	1.0
117.07043	10.0
119.08583	3.8
121.06536	1.0
121.10136	21.9
123.11725	2.5
131.08560	12.2
133.10112	10.0
135.08037	2.6
135.11671	11.6
139.11154	2.1
147.11711	1.6
149.09660	1.0
149.13249	48.8
151.11185	1.2
159.11681	18.1
167.14301	1.7
177.12732	10.4
195.13788	16.3
213.14851	2.3
247.16875	1.0
251.16617	1.3
254.42650	1.0
279.76056	1.0
307.71353	1.1
445.29190	1.3
463.30515	58.5
464.31021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03940	4.5
53.18381	1.0
55.01852	2.6
55.05286	1.5
55.05511	18.9
57.03432	7.9
57.07060	3.9
61.37447	1.0
65.03922	3.3
67.05499	84.7
69.07066	29.3
69.51493	2.0
69.51913	6.9
71.04992	5.3
77.03928	0.9
79.05488	53.8
81.03411	2.2
81.07049	100.0
82.07375	2.0
83.04989	8.2
83.08616	17.6
85.06520	5.2
91.04926	1.8
91.05470	28.2
93.07036	72.8
94.07354	1.3
95.04964	9.2
95.08595	20.2
97.06526	12.9
97.10163	1.8
98.20746	1.8
99.08087	3.6
105.07014	9.3
107.04981	0.9
107.08588	38.8
109.06503	3.0
109.10144	3.4
111.08060	9.4
111.11696	1.1
113.09621	1.9
116.95080	0.9
117.07005	10.9
119.08566	4.2
121.06528	1.8
121.10138	24.8
122.10445	1.2
123.08073	1.7
123.11699	2.3
125.09636	1.2
129.06995	1.3
131.08553	11.5
133.10136	8.1
135.08020	2.0
135.11679	9.1
139.11145	1.9
147.11629	1.7
149.09714	1.2
149.13245	52.1
150.13579	1.7
159.11682	18.5
167.14343	1.7
177.12723	9.5
195.13815	15.8
196.14230	1.2
202.96729	1.0
213.14856	4.3
376.38608	1.0
463.30545	58.6
464.30832	5.3
469.20825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03951	4.7
55.01862	3.1
55.05510	18.0
57.03427	4.4
57.07066	2.6
65.03918	4.4
67.05500	79.3
68.05811	1.0
69.07066	26.3
70.26253	4.5
71.04991	5.9
77.03928	1.3
79.05488	54.4
80.05836	1.1
81.03389	3.8
81.07050	100.0
82.07355	1.9
83.04974	7.8
83.08614	17.0
85.06529	5.0
91.04929	2.0
91.05471	30.1
93.07039	70.1
94.07357	1.7
95.04971	9.5
95.08602	23.8
96.31577	0.9
97.06527	10.1
97.10152	2.0
99.04426	1.2
99.08086	3.7
105.04507	2.0
105.07025	9.8
107.04952	1.4
107.08588	35.9
108.08940	1.0
109.06518	3.6
109.10139	3.7
111.08064	7.2
113.06013	1.9
113.09627	1.5
117.07022	11.6
119.08585	4.8
121.06490	3.2
121.10136	19.0
123.08115	1.0
123.11704	3.9
126.95434	0.9
129.07071	0.9
131.08554	12.7
133.10118	14.6
135.08034	2.5
135.11678	11.4
139.11226	2.4
145.10117	2.0
147.11609	2.0
149.13246	42.8
150.13512	1.5
151.11215	1.5
159.11678	16.9
177.12744	8.2
195.13779	23.2
213.14864	2.6
250.80432	0.9
251.16531	1.2
344.79379	0.9
353.24921	2.6
371.25833	3.6
389.26923	2.2
445.29510	3.4
463.30542	69.3
464.30774	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
55.01866	3.0
55.05503	18.6
57.03433	7.7
57.07079	3.5
59.05024	0.9
65.03946	4.0
67.05500	85.0
69.06704	1.6
69.07063	24.4
69.37223	3.6
69.37651	4.3
71.04984	5.0
73.02892	1.3
79.05487	51.8
81.03414	3.7
81.07050	100.0
82.07400	1.4
83.04967	8.5
83.08612	18.1
85.06539	5.8
91.05472	28.9
93.07037	76.2
95.04982	8.7
95.08595	24.5
97.06525	13.6
97.10152	1.5
99.04488	1.3
99.08083	3.3
105.04503	2.0
105.07018	12.3
107.04958	1.2
107.08585	41.8
109.06503	4.1
109.10149	3.6
111.08073	9.0
113.06020	0.9
113.09672	1.2
117.07005	11.5
119.08576	3.4
121.06483	1.7
121.10133	21.0
123.11715	2.5
125.09650	1.3
127.07579	1.1
129.06992	1.1
131.08553	11.8
133.10124	10.0
135.08061	3.2
135.11690	13.3
139.11180	1.8
145.10030	0.9
147.11684	2.1
149.09561	1.5
149.13245	47.5
150.13594	1.1
151.11143	1.2
153.09085	0.9
157.10170	0.9
159.11676	20.4
167.14328	1.4
177.12741	8.2
195.13791	22.5
213.14857	2.2
258.12964	0.8
269.17618	0.9
463.30539	63.8
464.30972	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	463.305
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.44587	1.1
53.03933	4.4
55.01856	3.6
55.05510	19.8
57.03438	6.5
57.07077	2.6
65.03924	3.4
67.05501	78.0
69.06705	1.7
69.07063	27.1
70.96372	3.4
71.04996	5.6
75.56599	1.0
79.05489	53.0
81.03407	5.0
81.07053	100.0
82.07394	1.1
83.04987	7.0
83.08624	16.0
85.06512	4.7
85.09017	1.1
91.04942	2.4
91.05479	37.7
93.07041	68.7
95.04981	9.4
95.08605	28.6
95.09208	2.0
97.06520	12.2
97.10174	2.1
99.08083	3.8
104.43044	1.2
105.04521	1.3
105.06377	1.3
105.07027	18.3
107.08590	36.5
109.06516	3.6
109.10137	5.0
111.08082	7.1
113.05994	1.3
113.09634	1.4
115.68439	1.1
117.07018	13.9
119.08592	8.0
121.06477	2.7
121.10139	21.9
123.08041	2.1
123.11705	3.4
125.09608	1.5
129.06984	3.1
131.08571	15.5
133.10129	11.6
135.08055	2.7
135.11676	10.1
139.11136	1.6
143.08527	2.8
145.10078	6.0
147.11693	2.2
149.13252	42.3
155.08560	2.3
157.10184	1.7
159.11697	18.9
169.10152	1.4
171.11682	1.2
177.12762	7.9
181.10196	2.0
185.13298	1.4
195.13809	16.7
197.13252	1.8
208.15292	1.2
211.14944	1.6
213.14746	2.9
251.16292	1.5
259.16901	1.4
325.25299	1.9
335.23615	1.5
343.26227	2.7
353.24719	3.6
371.25830	4.6
389.26761	5.1
445.29312	10.1
463.30508	55.7
464.29968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01852	2.8
55.05505	19.4
57.03442	3.8
57.07067	2.0
65.03923	3.6
67.05497	71.4
68.05821	1.7
69.03429	0.9
69.07061	25.8
69.52657	4.5
69.53080	2.7
71.04974	5.9
71.08614	1.3
71.83159	0.8
73.02906	0.9
77.03900	1.3
79.05482	50.9
81.03421	4.0
81.07047	100.0
83.04977	7.3
83.08613	18.4
85.06527	4.2
91.05470	29.7
93.07034	61.3
94.07380	1.5
95.04955	9.5
95.08593	21.9
97.06516	11.2
97.10165	1.7
98.21484	1.4
99.08092	2.1
105.04465	1.7
105.07009	10.4
107.04934	1.4
107.08580	37.9
108.08895	1.0
109.06512	3.3
109.10136	4.4
111.08066	8.8
113.06049	0.9
115.05418	1.2
117.07007	11.4
119.08595	4.6
121.06497	3.0
121.10131	18.0
123.08057	1.5
123.11671	5.4
129.06984	1.4
131.08553	11.6
133.10109	18.4
133.11029	1.4
135.08092	1.7
135.11679	11.7
139.11232	1.1
145.10117	1.2
147.11684	2.6
149.09547	1.3
149.13243	37.1
151.11165	2.4
157.10136	1.1
159.11681	15.1
167.14337	1.2
171.11847	0.9
177.12718	7.9
195.13786	27.6
213.14844	2.5
239.78973	1.0
251.16580	1.6
353.24768	1.8
389.26981	2.3
445.29416	2.6
463.30551	69.6
464.30878	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
57.03434	4.3
69.03400	1.0
70.85635	2.0
71.04988	30.9
77.36280	0.7
79.49155	0.9
85.02904	29.5
92.02607	1.2
126.03022	0.8
129.05493	5.8
139.03882	0.9
151.03827	1.2
153.01805	6.7
209.06381	0.9
217.05000	1.4
228.04150	1.9
229.04819	3.9
246.05284	2.0
257.04440	2.3
273.03833	1.1
274.04654	3.4
285.03943	3.7
301.07150	1.1
302.04160	11.0
317.06540	100.0
318.06808	3.9
329.06619	1.0
455.59998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.01874	5.8
55.05291	2.3
55.05515	33.5
57.03432	10.9
57.07051	2.2
65.03921	4.7
67.05502	88.9
69.03399	2.4
69.07063	28.9
71.04974	7.8
72.20850	2.1
74.15063	1.9
79.05490	69.0
81.03394	3.0
81.07054	100.0
83.04978	9.3
83.08627	18.5
84.30644	2.0
84.80573	1.9
84.88424	2.3
85.06525	4.6
91.05476	86.5
93.06449	4.2
93.07042	84.5
95.04980	11.4
95.08605	55.9
97.06516	12.4
97.10165	6.9
98.21467	5.8
99.08108	3.5
102.97888	1.8
103.05466	2.3
105.07027	76.6
107.04955	6.4
107.08594	36.0
109.06511	8.9
109.10137	20.9
111.08096	6.9
115.05448	5.2
116.06192	2.4
117.03384	4.7
117.07011	38.8
119.08578	44.3
121.06501	8.6
121.10131	27.2
123.08059	5.8
123.11681	4.6
128.06259	4.9
129.06985	26.4
130.07826	2.8
131.04887	3.0
131.08560	58.9
133.06516	4.4
133.10130	36.1
135.08051	6.6
135.11754	9.8
137.09631	5.1
139.11197	3.0
141.06970	9.3
142.07774	3.2
143.08559	22.2
144.93179	2.4
145.02876	11.4
145.06522	4.1
145.10112	37.2
147.08015	7.1
147.11696	7.3
149.09669	5.2
149.13269	18.1
155.08539	15.7
157.10114	20.7
159.08066	3.9
159.11673	20.7
161.09666	5.0
161.13261	2.7
165.12677	2.3
167.08563	6.9
169.10153	9.2
171.11639	13.8
173.13298	8.4
175.11162	2.6
177.05461	24.1
177.12672	5.2
181.10115	4.5
183.11719	7.5
185.13258	8.5
187.14810	3.7
189.12617	2.3
195.06560	6.8
195.11697	5.1
195.13844	7.4
197.13295	8.3
199.14836	5.2
201.16327	2.4
207.13712	2.3
209.13213	5.0
211.14883	4.6
213.12788	3.3
217.15907	2.5
223.14771	2.5
225.16351	2.8
227.14456	4.0
233.15350	4.3
237.16309	3.2
245.15384	3.6
247.16972	5.1
249.18517	2.2
259.16919	4.7
261.18414	4.1
273.18607	3.1
275.20004	2.9
323.53583	2.4
325.25281	9.2
335.23624	11.5
343.26352	22.5
353.24716	41.1
371.25790	49.9
389.26825	54.6
427.28265	3.8
445.29468	63.9
463.30756	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	Leptosin
Peak:m/z	Relative Intensity
50.56607	0.3
52.95509	0.3
53.00297	0.8
55.05489	1.4
57.91365	0.3
65.03940	2.3
67.05507	0.7
68.99768	0.8
69.03421	0.8
83.04971	4.4
93.03385	1.4
107.04933	0.4
111.04436	2.9
114.73817	0.3
121.02857	5.5
123.04439	2.1
133.06451	0.4
134.06805	0.6
139.03885	100.0
140.04216	1.8
146.95326	0.3
151.03899	7.8
153.01733	0.4
157.04973	0.7
159.43571	0.3
163.03905	2.7
179.03453	0.4
181.90486	0.3
197.05968	0.5
205.04968	1.0
213.05461	0.4
258.05273	0.9
262.34329	0.3
283.11584	0.4
283.14395	0.5
286.04663	2.4
287.05481	2.6
289.07047	2.2
301.07053	9.6
301.12543	1.2
408.21021	0.3
463.17838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03933	0.4
55.01860	0.8
57.03418	0.6
69.03427	1.7
71.71324	0.5
77.03944	0.4
79.05482	3.0
84.04438	0.3
85.02887	1.2
87.04455	1.1
95.04914	0.6
97.02887	1.5
103.05454	1.9
105.07019	24.4
106.07317	0.5
107.04918	0.7
115.03919	1.6
115.05452	0.8
127.03892	0.4
131.04936	0.3
133.06474	100.0
134.06807	1.6
139.03899	3.3
140.04208	2.0
141.04340	1.0
150.07611	1.1
153.01805	0.6
154.29584	0.3
176.46045	0.3
211.56783	0.4
256.70859	0.3
259.12000	0.7
263.28952	0.3
301.07187	0.4
302.12448	0.6
331.17996	0.3
462.20718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	4.9
69.03429	8.1
69.83849	23.0
72.08176	3.0
84.87152	3.3
85.02887	9.8
93.07036	4.2
95.04986	12.2
95.08604	6.1
105.07035	14.4
107.08582	5.8
109.06487	5.9
111.04459	9.0
113.06070	3.4
115.69615	3.2
119.08600	12.2
119.41566	3.2
119.69331	3.1
121.02866	4.2
121.06551	5.8
123.08044	5.4
131.08557	4.7
133.06491	16.1
135.08026	17.2
139.03896	64.6
140.04219	21.9
141.04449	9.3
145.10172	4.7
147.04372	4.0
147.08038	9.3
151.03920	4.4
153.01810	6.8
157.10150	4.1
158.07285	5.6
159.07999	4.2
159.11710	5.2
161.09608	7.0
165.09155	4.2
173.13254	5.3
175.07533	16.7
175.11205	6.1
187.11273	7.5
199.11188	5.3
201.12636	5.4
203.10609	9.3
211.11121	3.6
212.90680	3.3
217.12328	7.3
219.13794	4.5
229.12273	8.3
247.13304	26.2
265.14343	100.0
287.05508	15.1
359.03189	4.3
463.17636	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01865	4.4
55.05506	23.8
57.03424	7.2
65.03932	3.1
67.05499	54.4
69.03432	2.9
69.07062	15.4
69.55684	13.1
71.04983	5.0
77.03934	1.8
79.05031	3.0
79.05489	50.9
81.03413	58.5
81.07050	66.8
83.04977	8.0
83.08610	24.2
84.08963	1.6
85.06547	2.9
87.43911	1.4
91.05471	46.8
93.07036	53.0
95.04404	3.0
95.04963	31.6
95.08604	20.2
97.02910	3.4
97.06516	8.1
97.10159	8.8
98.21442	2.5
99.08097	1.9
103.05466	2.3
105.04442	1.9
105.07034	28.1
107.04959	15.8
107.08585	23.3
109.06527	9.1
109.10130	9.9
111.04443	1.9
111.08083	11.0
115.05436	3.6
116.06210	2.1
116.10902	1.4
117.07004	13.6
119.04956	2.1
119.08570	19.8
121.06507	13.7
121.10130	15.8
122.63470	1.4
123.08049	4.4
123.11672	2.5
125.09607	7.6
128.06226	3.9
129.06970	13.9
131.04936	2.1
131.08546	26.8
131.56943	1.6
133.06456	7.4
133.10109	14.5
135.08086	3.8
135.11673	6.5
135.92664	1.9
141.07016	3.7
141.67709	1.5
142.07806	2.5
143.08549	9.8
143.99335	1.7
145.06494	8.7
145.10106	6.3
147.08054	5.2
147.11673	7.8
149.09622	7.2
149.13245	19.2
155.08607	3.5
157.06487	1.8
157.10110	10.6
159.08128	3.1
159.11691	11.5
161.09697	2.5
163.11159	3.4
167.08540	1.7
169.10085	3.9
171.08113	2.2
171.11613	2.1
173.09547	2.1
173.13293	3.2
175.11145	7.7
177.12741	6.3
181.10103	2.3
183.11725	3.7
185.13211	3.0
189.11226	5.3
191.14415	1.9
193.10480	3.1
193.12212	21.7
195.13834	4.3
197.13248	2.0
199.14833	5.5
200.22424	2.0
201.12700	2.0
217.15901	4.5
225.12862	2.3
227.14432	2.1
229.15819	1.9
231.13765	2.0
239.14218	1.8
249.14873	4.5
257.15393	3.1
305.02847	1.5
341.24777	3.3
343.22723	3.9
351.23065	10.7
369.24231	23.5
385.99615	1.7
387.25284	11.8
405.26318	3.2
417.26379	5.9
443.27856	20.7
461.28964	100.0
462.29349	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	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86880	2.0
53.03927	6.5
53.12538	2.1
55.01858	6.0
55.05507	21.6
56.26273	1.7
57.03423	6.6
63.46392	1.7
65.03925	2.7
67.05148	3.7
67.05501	59.9
69.03411	3.9
69.07059	20.9
69.36274	19.7
69.36594	2.6
71.04985	5.5
71.27607	1.8
79.05490	48.3
81.03414	72.9
81.07053	68.4
81.07547	2.4
83.04986	10.6
83.08611	19.6
85.06546	2.1
91.05480	39.5
93.07034	51.6
95.04958	38.3
95.08599	20.9
97.02837	1.9
97.06503	9.6
97.10164	11.2
99.08080	2.9
105.07024	27.1
107.04947	14.6
107.08586	28.7
109.06508	6.6
109.10143	7.7
111.08067	10.4
117.07013	12.5
118.07345	2.6
119.08568	17.7
121.06505	11.2
121.10156	14.3
123.08030	3.2
125.09634	7.9
128.06235	2.4
129.06987	15.7
131.08560	20.3
133.06471	6.6
133.10132	7.0
135.08051	5.4
135.11694	5.1
137.09563	2.5
141.07037	2.3
141.87111	1.6
142.07735	3.0
143.08528	8.1
145.06491	7.8
145.10132	7.9
147.08032	8.7
147.11690	8.8
149.09576	5.7
149.13245	19.1
155.08504	3.9
157.10112	12.3
159.08002	3.2
159.11734	11.0
161.09554	2.4
161.13397	1.8
161.28993	1.7
169.10126	3.7
171.11676	3.6
175.11154	10.7
177.12791	6.4
177.36455	2.0
181.10277	1.9
183.11722	2.6
189.11197	5.7
193.12224	28.1
195.13832	3.8
197.13194	2.2
199.14864	2.9
201.12784	1.8
205.12270	2.2
217.15903	8.4
225.12819	2.3
249.14859	4.6
257.15189	2.7
269.17325	2.0
304.00171	1.8
333.22159	2.3
343.22626	6.9
351.23151	6.9
357.51486	1.7
361.23813	2.4
369.24298	15.0
387.25070	10.8
417.26361	6.3
443.27979	15.6
461.28967	100.0
462.29132	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	459.383
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
55.05491	14.5
57.07063	8.5
59.40983	3.6
67.05505	29.1
69.07068	32.6
71.04972	9.6
71.28835	7.8
79.05480	14.8
81.07052	56.0
81.07514	6.2
83.04960	4.3
83.08609	20.5
85.06551	5.6
91.05474	13.6
93.07030	48.3
95.08597	70.3
97.06564	6.2
97.10162	7.7
99.04448	3.5
99.08082	10.6
105.07018	28.5
107.08578	69.0
109.10155	77.7
117.06863	4.1
119.08568	49.0
121.10136	51.5
123.11710	41.7
124.33446	3.9
127.11180	23.6
131.08540	10.7
133.10117	56.9
135.08058	4.1
135.11696	61.1
137.13246	19.0
145.10127	16.1
147.11682	39.6
149.09639	4.7
149.13283	27.7
151.11201	7.1
153.09093	5.8
159.11650	36.1
161.13260	30.4
161.44887	3.7
163.14749	8.0
167.10619	7.6
171.11659	3.9
173.13190	8.3
175.14810	11.7
177.12674	4.7
177.16354	9.0
181.12257	10.5
185.13150	4.3
187.14803	8.0
189.16394	20.1
191.18007	18.9
195.13821	8.9
201.16339	27.0
203.17905	42.5
207.17365	7.6
215.17944	12.9
217.19484	27.4
221.19113	5.2
223.16907	5.7
235.20505	6.2
237.18451	11.6
251.20049	6.2
257.11685	6.7
261.82288	3.8
328.43097	4.1
423.36328	25.1
441.37247	100.0
442.37793	5.1
452.81787	3.7
459.38013	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	461.1439
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03943	0.9
56.40651	0.5
57.46790	0.5
58.23476	0.5
71.07844	0.4
79.05468	1.4
81.07047	0.7
83.93269	0.5
85.02881	0.9
88.48824	0.5
95.04960	1.1
100.11238	1.7
105.07011	0.8
107.04942	83.7
108.05246	1.3
110.05310	0.5
119.04649	0.5
121.06478	0.5
121.42818	0.5
123.04388	0.7
133.10126	0.9
137.05952	0.9
139.03839	3.1
151.03812	0.7
153.01842	1.4
182.15407	0.8
192.04118	0.7
193.04955	41.7
195.06439	0.7
203.73402	0.5
210.14816	1.1
249.39046	0.5
254.77289	0.5
264.38934	0.7
269.63254	0.6
299.09125	100.0
300.09497	3.1
389.29727	0.5
461.28418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.383
Annotation	Primulagenin A
Peak:m/z	Relative Intensity
55.05502	7.6
57.07062	6.1
65.03922	1.9
67.05495	10.9
69.03419	4.0
69.07061	9.0
71.04987	26.0
73.06552	2.6
79.05485	3.9
81.07048	20.6
83.04989	3.2
83.08617	10.9
85.06529	10.0
91.05479	6.0
93.07037	10.8
95.05006	1.9
95.08595	39.0
97.10178	13.7
98.21571	4.1
99.08067	3.6
105.07031	13.7
107.08585	47.1
109.10151	38.8
111.11709	2.4
119.08564	15.8
121.10117	27.1
123.11703	12.0
125.09616	32.0
127.11189	21.2
131.08530	2.4
133.10129	20.1
135.11658	17.0
137.13232	8.1
143.10666	100.0
145.10126	7.3
147.11673	16.7
149.13223	12.6
153.12764	2.3
157.10100	3.2
159.11699	12.0
161.13248	13.1
163.14885	5.1
165.12839	2.1
171.11612	2.4
173.13271	4.7
175.14763	9.4
177.16406	15.3
177.91801	1.8
187.14818	7.3
189.16360	12.7
191.17961	4.8
199.14832	4.0
201.16370	17.7
203.17886	18.9
213.16377	3.7
215.17842	6.5
217.19563	3.5
221.19009	4.8
227.18031	3.6
229.19487	4.7
232.67168	2.4
233.19032	4.2
235.46753	2.2
240.36340	2.1
243.21068	2.3
247.20490	2.5
255.21071	2.7
257.11710	4.4
273.22104	2.3
315.26797	4.8
329.28293	2.5
341.28403	3.6
405.35114	4.8
423.36142	42.0
441.37238	23.7
459.31723	3.4
459.38287	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01866	9.2
55.05510	25.1
57.03432	3.8
61.88053	1.7
65.03917	2.0
66.59400	1.2
67.05501	41.7
69.03418	3.0
69.07063	12.1
70.36539	4.7
71.04980	3.8
76.36525	1.3
77.03883	1.4
79.05488	42.1
80.97967	1.1
81.03416	14.8
81.06618	2.4
81.07056	30.5
81.57310	1.2
83.04979	7.5
83.08633	11.3
84.00337	1.3
85.02885	2.1
85.06524	2.1
91.05475	45.4
93.06519	2.1
93.07046	24.1
94.64394	1.3
95.04961	27.1
95.08603	13.6
97.06516	5.5
97.10168	14.2
103.05430	1.4
105.07021	30.3
107.04946	16.2
107.08589	18.5
109.06513	7.1
109.10155	16.2
111.08062	3.3
115.05462	3.6
117.07018	13.8
119.04919	2.3
119.08562	12.8
121.06516	8.6
121.10117	6.7
123.04424	3.2
123.08064	3.7
123.11687	3.7
125.09637	10.0
128.06201	2.2
129.06982	10.5
131.04897	2.7
131.08568	17.0
133.06493	6.0
133.09189	2.6
133.10129	22.5
135.04387	1.9
135.08049	5.7
135.11678	4.8
137.09630	4.7
139.03836	7.2
141.06955	3.9
142.07645	1.5
143.08537	7.1
145.06459	10.5
145.10106	9.0
147.04427	2.1
147.08075	6.9
147.11697	3.3
149.09584	3.1
149.13181	1.7
151.11171	11.7
153.09076	5.9
155.08517	7.1
157.06473	2.9
157.10147	5.0
159.08107	8.1
159.11710	4.6
161.06020	2.9
161.09612	4.7
163.11136	4.5
167.08626	1.9
169.10167	4.8
169.12282	2.0
171.08012	4.4
171.11681	5.3
173.09621	4.0
173.13300	2.4
175.11177	3.9
179.10760	1.4
181.10083	2.7
183.11595	1.6
185.09676	2.9
185.13211	3.9
187.11174	1.5
189.09196	1.9
189.11169	5.8
189.12769	2.8
193.12187	7.4
195.11668	2.1
197.13277	4.6
199.11140	3.7
203.14330	2.4
205.12292	2.1
207.13837	3.4
210.33449	1.4
213.12781	4.1
215.14380	4.7
219.13815	1.6
221.13065	1.9
223.13182	2.2
225.12685	2.0
227.14529	1.5
229.15990	1.7
231.13771	2.9
233.15401	5.8
241.15982	1.9
245.15343	1.9
249.14886	2.8
257.15402	2.3
269.15408	2.0
271.16928	1.6
273.14838	3.0
274.23337	1.5
276.27835	1.3
283.16986	2.2
287.16501	4.4
321.22037	2.9
329.21017	1.6
339.23114	6.4
349.21671	9.5
357.24231	7.7
361.20154	5.0
367.22662	32.1
385.23734	51.4
386.24173	3.7
403.24817	5.4
405.24017	2.4
423.25317	2.8
441.26413	6.2
459.27396	100.0
460.27789	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	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01865	6.2
55.05249	1.6
55.05505	22.9
56.25207	1.0
57.03436	5.1
57.03653	1.0
65.03910	1.1
67.05153	1.9
67.05499	30.4
69.03415	3.4
69.07060	7.5
71.04978	3.1
71.05908	2.3
79.05034	2.0
79.05485	30.1
81.03410	79.2
81.07046	23.9
82.31730	1.1
83.04967	6.1
83.08607	21.9
85.06530	2.4
91.05473	30.3
93.07041	16.7
95.04961	27.2
95.08602	11.1
96.50793	1.1
97.02897	1.9
97.06495	1.7
97.10168	12.0
103.05486	2.2
105.07024	22.3
107.04948	12.5
107.08588	14.0
109.06505	6.0
109.10162	7.2
111.04430	2.0
111.08046	7.9
115.05475	3.1
117.07018	9.0
119.04935	1.5
119.08569	15.6
121.06511	10.9
121.10139	7.5
123.04420	2.8
123.08029	2.5
123.11641	1.2
125.09664	7.7
125.75688	1.0
128.06161	2.2
129.06987	15.2
131.04942	3.9
131.08562	18.1
133.06458	6.9
133.10126	6.9
135.08070	2.6
137.09572	2.5
139.03889	2.7
141.06984	4.4
142.07787	1.9
143.08551	6.7
144.05640	1.3
145.06473	21.9
145.10110	4.6
147.04382	1.5
147.08052	8.4
147.11674	8.7
149.09665	5.0
151.07530	1.2
153.09099	2.8
155.08551	4.8
157.06425	2.7
157.10114	12.9
159.08051	4.1
159.11670	2.7
161.05981	4.7
161.09610	3.0
163.11227	2.5
167.08549	2.7
169.06537	2.3
169.10086	3.1
171.08113	5.6
171.11665	3.3
173.09639	3.4
175.07661	1.2
175.11171	10.7
177.12749	1.1
179.08556	1.2
181.10103	1.8
183.08046	1.7
183.11606	1.6
184.08798	1.1
185.09602	3.6
185.13251	2.2
187.14713	1.5
189.09309	1.3
189.11224	6.8
189.12665	1.4
193.10400	2.2
193.12227	46.7
195.08061	2.4
195.11707	5.5
197.09641	2.0
197.13260	3.2
199.11214	2.2
203.14407	1.4
205.12111	1.7
207.11913	1.4
209.13098	1.6
211.11259	2.3
211.13329	1.6
213.12759	1.9
215.14314	2.8
217.12263	1.5
223.11128	1.7
225.12668	2.4
227.14368	2.9
231.13759	2.4
233.15398	4.5
237.12767	2.4
243.13783	1.4
249.14856	4.4
255.13730	6.6
271.16895	1.6
273.14868	15.8
283.16986	2.3
287.16406	3.0
295.16782	1.4
299.16394	1.5
321.21985	1.5
339.23273	5.8
349.21609	13.0
357.24173	4.6
367.22650	39.2
368.22775	1.3
385.23727	33.6
386.24185	2.3
403.24637	7.1
404.24869	1.4
405.24094	2.0
423.06467	1.2
423.25479	1.6
441.26227	6.8
459.27402	100.0
460.27890	9.0
472.39319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54836	1.5
53.03928	5.2
55.01863	8.4
55.05509	28.0
57.03414	5.2
60.47735	1.2
60.80745	1.3
65.03931	2.7
66.53833	1.3
67.05502	38.0
69.03418	4.0
69.07054	9.9
70.12788	5.8
70.13211	2.6
71.04975	3.7
79.05488	42.5
81.03413	80.0
81.07048	33.0
83.04984	11.1
83.08611	20.4
85.06535	2.0
91.05474	49.6
93.07037	24.8
95.04960	31.5
95.08596	15.3
97.02898	2.2
97.06503	4.6
97.10161	15.3
103.05395	2.0
105.06342	2.4
105.07021	33.9
107.04948	21.9
107.08590	17.6
109.02900	1.5
109.06506	5.9
109.10133	7.6
111.04424	1.9
111.08044	7.9
115.05465	1.7
117.07021	13.6
119.04918	1.9
119.08575	20.5
121.06519	12.2
121.10119	7.9
123.04435	3.5
123.08053	5.4
125.09612	9.5
128.06226	2.0
129.07001	19.3
131.04926	5.2
131.08556	18.3
133.06467	7.9
133.10121	14.0
135.08040	5.8
135.11618	2.2
137.09584	3.5
139.03911	4.8
141.06976	5.6
142.07745	2.5
143.08562	7.8
144.05656	1.6
145.06473	18.5
145.10104	7.6
147.08049	6.4
147.11700	11.9
149.09605	5.1
151.07558	1.7
153.09120	4.8
153.12617	1.8
154.82985	1.4
155.08539	5.6
157.06491	4.9
157.10124	14.6
159.08044	5.1
159.11678	3.3
161.05983	2.4
161.09644	2.6
163.03882	1.7
163.11238	3.1
165.12727	1.9
167.08542	3.6
169.06473	1.9
169.10088	3.4
171.08066	4.9
171.11621	3.3
173.09715	3.6
175.11171	11.3
181.10127	4.0
185.09599	3.5
185.13248	2.9
187.11227	3.1
189.11166	6.5
193.12238	40.8
195.11694	4.0
197.09488	1.4
197.13336	4.3
199.11130	2.5
205.12257	2.1
207.11818	2.1
209.09491	2.1
211.11255	2.1
211.13243	2.3
213.12677	1.4
215.14359	4.0
217.12218	2.2
217.79131	1.4
225.12657	2.4
227.14426	3.4
231.13805	2.1
233.15320	3.7
237.12787	1.9
249.14838	3.2
255.13818	4.8
257.15524	2.3
259.13251	1.8
269.15503	1.4
273.14807	14.8
281.15454	1.5
283.16742	1.7
287.16425	2.4
289.17792	2.0
339.23196	7.0
349.21588	15.4
357.24146	6.1
357.88693	1.3
367.22656	33.4
368.22830	3.1
385.23694	37.5
386.23871	2.1
403.24765	8.7
441.13260	1.6
441.26401	7.1
459.27411	100.0
460.27802	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01875	13.1
55.05249	3.1
55.05506	61.1
57.03418	6.3
59.04977	2.1
59.35028	1.9
59.44636	1.8
62.94349	1.8
65.03908	2.1
67.05152	3.2
67.05498	50.6
69.03412	6.7
69.07059	15.7
71.04977	2.7
79.05488	51.4
80.05812	1.9
81.03413	5.0
81.07046	45.7
82.14821	2.2
82.22079	2.0
83.04956	7.3
83.08612	25.7
85.06496	3.4
89.96951	2.0
91.05470	45.9
93.07031	23.6
95.04960	8.4
95.08596	14.2
97.06528	3.8
97.10162	45.0
98.21588	3.4
103.05454	25.0
105.03365	3.8
105.04492	2.3
105.07014	31.5
107.04953	10.5
107.08588	25.1
109.06516	3.8
109.10150	9.6
111.08036	4.3
115.05424	13.6
117.07010	59.5
119.04920	3.3
119.08566	18.1
121.06442	3.1
121.10146	5.0
123.08059	3.7
125.09611	41.6
128.06212	7.8
129.07001	30.1
131.04930	7.1
131.08556	37.9
133.06462	8.7
133.10104	7.7
135.08041	10.6
139.03891	12.5
141.07001	13.9
143.08537	15.9
145.06456	16.1
145.10136	12.5
147.08043	5.2
149.09608	7.0
153.01823	5.0
153.09105	6.7
154.07819	2.2
155.08556	19.6
157.06465	7.0
157.10139	7.8
159.08061	7.4
159.11671	6.9
165.06958	2.1
167.08580	6.0
168.09251	2.2
169.10112	10.7
171.08057	3.9
171.10335	1.9
171.11699	9.5
173.09668	3.8
173.13303	2.8
179.08600	3.1
181.10109	3.3
183.08025	2.4
183.11682	4.3
185.09641	2.4
185.13263	4.6
187.14769	18.1
189.11234	26.6
189.12827	3.6
193.10152	3.2
193.12325	2.1
195.11679	6.7
197.09740	2.8
197.13274	17.1
213.12773	6.1
215.14299	100.0
216.14639	2.9
223.11147	3.5
225.12633	2.9
227.12738	35.9
233.15282	3.7
235.14874	2.6
241.12335	5.5
245.13814	4.5
255.13907	2.5
259.13446	2.3
271.16907	5.9
287.16431	2.7
289.17862	2.9
321.22104	2.9
331.20428	2.2
339.23242	5.7
349.21573	12.8
367.22693	40.5
368.22678	2.4
385.23737	28.0
403.24844	7.5
405.24579	2.2
423.25562	2.5
441.26294	61.4
442.26831	3.2
459.27359	88.2
460.27640	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00264	0.4
53.03920	0.5
55.01835	1.3
57.03401	0.5
57.43689	0.3
65.03909	0.4
67.05480	0.6
68.99758	1.2
69.03392	0.6
69.73413	3.2
70.02993	0.3
70.06548	0.7
72.08113	0.4
79.01825	0.4
81.03410	2.0
84.53832	0.3
85.02892	1.9
91.05468	2.4
93.03374	0.7
93.07011	0.4
95.04922	1.1
97.02838	1.1
103.05421	0.7
103.29659	0.3
105.06989	0.4
107.04894	1.3
109.02808	1.1
111.04420	0.7
115.05425	1.2
117.06989	2.0
119.04954	1.8
121.02856	2.1
121.06409	0.4
123.04421	1.0
125.02265	0.6
126.44718	0.4
127.03938	0.8
127.05364	0.5
131.04895	1.7
135.04378	1.0
137.02301	0.7
137.05934	0.7
138.03102	0.4
139.03883	13.7
140.04137	0.4
141.01813	2.4
143.03354	0.6
143.04997	0.5
144.05701	2.8
145.06474	5.9
145.10130	0.5
147.04398	8.2
149.02330	2.3
149.05873	0.5
151.03841	1.3
151.14691	0.4
153.01816	6.5
154.02118	0.9
155.02321	0.6
155.05957	1.3
157.06490	0.5
159.04395	0.6
161.05946	0.9
163.03925	3.0
163.05099	0.6
165.01819	15.5
166.02322	0.6
167.03384	6.1
167.06963	0.4
171.04358	3.0
171.05594	0.7
177.01863	1.8
177.05443	1.5
179.03384	0.8
179.06927	0.4
181.04889	1.4
181.06371	0.5
183.02870	10.0
184.03720	0.5
185.06056	0.5
187.03862	1.5
189.01717	0.7
190.02644	0.7
191.03384	1.8
195.02823	3.3
203.03397	0.8
205.01424	0.4
205.04892	2.0
207.02718	0.4
209.04362	0.4
215.03325	0.6
231.02759	0.5
233.04413	1.1
243.02911	0.9
251.07048	0.5
255.06635	0.5
255.10178	1.0
261.03973	1.6
264.07730	0.4
265.08572	1.3
278.05771	0.8
279.06625	0.7
281.07962	0.7
281.82965	0.4
288.05872	0.5
289.06326	0.5
291.06604	0.7
292.07285	1.7
293.08069	5.2
295.05981	3.0
295.43518	0.4
297.07559	5.7
297.10925	0.9
305.08041	1.0
307.09692	6.5
309.07541	100.0
310.07910	3.0
311.09180	0.5
316.07776	0.5
319.09561	0.6
321.07535	9.5
321.11157	2.3
323.05609	0.6
323.09134	2.9
331.09705	2.1
333.07709	1.8
334.08350	1.3
335.05530	1.7
335.09116	20.8
336.09482	0.9
337.07098	0.8
339.08606	70.6
340.09009	2.0
347.09076	2.7
349.07166	0.7
349.10690	16.1
350.11066	0.9
351.08536	0.7
359.09119	3.1
363.08597	36.5
364.08920	1.5
375.08582	11.2
377.10052	2.8
387.08615	8.2
393.09644	19.4
394.10089	1.1
405.09662	21.0
406.10007	1.0
423.10718	21.0
424.11316	0.8
441.11752	12.1
442.12274	0.5
459.12726	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	459.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03065	0.2
55.01875	0.2
55.05488	0.6
59.17183	0.2
67.01860	0.4
67.05468	0.5
68.99788	0.3
69.38172	0.6
69.38595	1.4
79.01824	0.2
79.05478	0.5
81.03389	0.4
81.07039	0.5
91.05490	0.4
93.07053	0.2
94.37943	0.2
95.04950	0.6
97.02881	0.2
99.83523	0.2
103.05439	0.6
103.85857	0.2
105.07024	0.3
107.04929	0.6
107.08583	0.4
109.97020	0.2
115.05434	0.8
117.07011	2.2
119.05041	0.2
119.08620	0.2
121.06449	0.3
123.04401	0.5
127.03900	0.3
129.01767	0.2
129.06914	0.2
131.04900	0.6
131.08563	0.3
137.05940	0.2
139.03891	9.8
143.03426	0.3
145.06479	5.1
147.04381	0.6
151.03900	1.0
153.01810	11.1
154.02127	0.5
155.02339	0.3
155.06018	1.3
161.06041	0.3
163.03847	0.6
171.02873	1.3
171.04382	0.7
181.04924	0.3
193.12354	0.2
251.07024	0.6
269.08200	0.4
279.06436	0.5
289.06644	0.3
297.07556	100.0
297.38632	0.2
298.07895	2.6
307.07834	0.2
339.51120	0.2
349.21429	0.3
367.22604	0.7
385.23672	0.3
459.12683	0.3
459.27472	1.4
461.66333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0916
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
52.01358	0.5
53.00294	0.7
54.36589	0.5
57.58607	0.5
65.03936	0.8
67.05487	0.5
68.99801	0.5
70.95969	1.0
70.96311	0.9
79.01839	1.2
83.05000	0.5
93.03380	0.7
95.04984	0.6
111.04491	2.4
116.01291	0.4
121.02840	1.1
123.04420	2.9
125.02364	1.1
135.04427	1.0
139.03896	100.0
140.04294	0.5
142.91188	0.5
143.03400	1.4
146.90430	0.5
151.03909	8.6
153.01825	18.4
153.02814	0.9
156.47818	0.5
159.04459	0.5
163.03900	4.2
173.06010	0.5
181.04980	3.2
205.04932	2.3
289.07104	4.6
307.08115	1.5
320.32852	0.5
384.02377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.7
55.05515	20.2
56.03336	2.5
57.07058	8.5
63.05391	2.6
65.03957	4.2
65.22060	2.6
67.05497	33.3
69.03413	3.8
69.07063	33.6
71.04995	17.6
71.31345	6.5
79.01824	2.4
79.05483	22.5
81.07050	61.0
83.08605	13.8
84.94000	2.5
85.06536	4.7
91.05463	18.8
93.07047	66.3
95.04963	3.3
95.08602	71.6
97.06527	7.6
97.10149	10.4
99.04444	8.1
99.08082	6.1
101.06016	4.7
103.05451	3.1
105.07032	47.4
107.08591	100.0
107.19810	2.4
109.06506	3.2
109.10146	77.6
111.08023	4.9
115.07552	4.4
117.06978	4.0
119.07759	4.8
119.08573	74.9
121.10137	97.0
123.08043	4.3
123.11700	36.2
125.09579	5.2
127.03897	7.4
127.11202	22.9
131.08554	13.8
133.10132	81.8
135.08031	8.4
135.11691	76.0
136.36775	2.5
137.13222	9.0
143.08536	7.6
143.10635	3.8
144.09357	3.4
145.10100	26.3
147.08034	2.6
147.11678	53.9
149.09561	13.4
149.13248	17.1
153.01816	34.4
153.09105	7.9
157.10139	8.7
159.11685	37.8
161.09641	7.1
161.13248	31.9
163.11168	9.2
163.14778	8.2
165.09067	3.7
167.10681	16.6
171.11661	7.2
173.09686	2.4
173.13252	17.3
175.11247	7.2
175.14874	14.3
177.12743	6.5
177.16386	7.3
179.03435	3.2
179.10651	7.2
181.12274	15.0
185.13203	5.5
187.14801	14.6
189.16371	24.3
191.17955	9.4
193.12225	5.7
195.13763	9.5
199.14815	6.0
201.16385	36.0
203.17955	37.0
205.15804	5.6
207.17299	3.4
209.15334	3.1
213.16342	5.5
215.17923	12.4
217.15855	3.9
217.19531	6.8
219.17464	3.6
221.18973	6.3
223.16933	11.9
227.18047	3.0
229.19507	5.1
231.17516	5.8
231.81396	2.6
233.18933	6.5
235.16818	12.4
237.18405	5.6
249.18471	19.0
287.05392	8.9
315.26685	3.0
371.29465	4.0
421.34641	12.3
439.35770	54.2
440.36084	3.0
457.24542	12.9
457.36673	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01435	3.9
55.05508	22.5
57.07066	7.2
57.18512	4.9
57.34035	3.7
58.22387	4.1
67.05498	25.9
69.07066	37.4
71.04984	13.1
71.56769	9.6
79.05484	17.2
81.07046	55.8
83.08611	18.5
85.06533	6.5
91.05476	19.1
93.07037	62.5
95.04919	4.3
95.08591	77.6
97.10177	12.7
98.35435	4.6
99.04446	8.9
99.08099	7.5
105.07013	46.7
107.08579	100.0
109.10139	69.2
110.66790	4.1
119.08576	72.4
121.10130	100.0
123.08001	5.1
123.11700	48.7
127.11200	30.9
131.08559	16.9
133.10120	70.3
135.08130	6.9
135.11690	69.2
137.13264	10.0
143.08568	8.5
145.10103	24.9
147.11676	39.9
149.09573	10.7
149.13251	17.8
153.09067	9.1
157.10132	5.4
159.11609	32.1
161.09625	6.9
161.12074	4.6
161.13242	26.9
163.11212	12.9
163.14832	5.4
167.10721	17.3
173.13245	8.7
175.11218	7.3
175.14822	16.9
177.16325	7.7
179.10706	7.4
181.12216	11.3
182.62566	4.6
187.14827	12.7
189.16348	28.1
191.17953	8.0
195.13831	7.7
197.13405	5.3
199.14854	7.1
201.16376	38.1
203.17940	44.0
205.15857	8.0
213.16396	7.8
215.17996	14.4
215.94591	4.3
217.15898	6.5
217.19496	10.8
219.17563	6.4
221.15489	4.9
223.16933	7.0
229.19649	6.9
231.17513	9.1
233.19034	10.5
235.16969	15.0
237.18513	8.0
249.18498	23.6
421.34689	10.8
439.35602	61.6
440.35498	5.3
457.36572	11.7
463.25992	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	457.3672
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.05499	20.5
62.30759	4.5
67.05515	24.8
69.07072	33.1
70.14610	11.6
70.14995	12.3
71.04970	15.1
79.05486	22.9
81.07043	53.5
81.35464	4.4
83.08615	18.2
91.05492	16.1
93.07034	66.1
93.66727	4.7
95.08593	71.5
97.10163	11.6
99.04427	8.6
99.08092	8.6
101.05995	5.4
105.07022	40.8
106.39505	5.7
107.08588	93.4
107.36207	4.9
109.10144	78.5
115.07561	5.2
119.08568	69.7
121.10144	100.0
123.08050	5.6
123.11692	37.6
127.11171	26.9
131.08575	17.0
133.10130	63.5
135.08035	9.9
135.11694	81.9
137.13318	6.9
143.10629	5.6
145.10143	27.3
147.11678	52.2
149.09627	7.9
149.13232	17.2
153.09109	5.4
153.16278	4.8
156.93697	5.3
157.10179	6.6
159.11667	33.4
161.13205	30.1
163.11168	8.4
167.10660	21.8
171.11665	7.9
173.13257	16.3
175.11124	5.7
175.14821	18.3
179.10580	7.7
181.12283	11.9
183.11569	4.5
187.14841	13.5
189.12744	8.7
189.16362	26.0
191.17946	9.8
195.13821	9.4
199.14850	8.1
201.16376	37.4
203.17987	40.1
207.17361	6.5
215.17899	15.3
217.19493	6.4
219.17520	5.7
221.18953	10.3
223.16844	12.6
231.17389	8.7
231.21237	4.9
233.19154	12.0
235.16925	16.7
237.18698	6.0
249.18515	20.2
411.82965	5.9
421.34631	8.4
439.35730	65.4
457.36301	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	457.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	23.0
55.48798	4.2
57.07068	19.9
58.50487	4.6
67.05501	33.8
69.07067	39.6
70.06565	10.7
71.04983	15.3
71.08613	7.6
71.15802	13.1
79.05495	20.1
81.07054	61.8
83.04919	4.7
83.08614	24.0
84.80898	5.2
84.88569	5.0
88.07633	12.3
91.05447	26.5
93.07034	53.7
94.01630	4.1
95.04932	5.6
95.08607	68.8
97.06516	8.8
97.10175	14.0
99.04446	10.2
99.08108	10.6
102.09212	10.2
105.07027	42.5
107.08591	100.0
109.10129	85.6
111.11716	5.6
117.06984	6.5
119.08590	65.9
121.10133	86.2
123.11705	37.7
127.10345	4.9
127.11143	28.3
131.08557	15.9
133.10120	73.5
133.73926	4.3
135.11691	66.4
137.13277	8.9
145.10124	27.3
147.08061	6.7
147.11674	63.8
149.09654	15.0
149.13264	16.8
153.01756	5.0
153.09117	9.7
157.10162	11.1
159.11694	42.1
161.09657	8.1
161.13239	31.1
163.11131	8.4
163.14749	7.1
167.10680	18.2
173.13219	22.3
175.11166	6.4
175.14854	13.4
175.68022	4.6
177.12784	8.0
177.16339	8.5
179.10655	8.4
181.10114	4.7
181.12283	17.9
187.14818	13.8
189.16364	36.3
191.17961	15.2
193.12300	5.2
195.13823	9.4
200.20100	23.7
201.16360	38.3
201.20410	15.6
203.14304	7.3
203.17932	46.4
207.17357	5.3
215.17926	16.6
217.19621	7.8
219.17484	9.3
221.15445	6.0
221.19052	8.0
223.16872	9.1
229.19536	6.7
235.16916	12.5
237.18523	8.6
249.18437	23.4
269.03934	5.1
283.26285	17.9
284.26663	36.0
369.27631	5.9
371.29257	6.0
421.34534	16.8
439.35703	69.2
457.36789	12.6
457.44354	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3671
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.05499	20.6
55.75452	5.1
57.07080	5.6
64.90909	4.1
67.05503	26.2
69.07065	35.9
69.55068	41.9
71.04979	12.8
71.18024	3.9
79.05477	17.0
81.07043	48.1
83.08614	20.5
91.05461	24.1
93.07031	52.3
95.08597	66.0
96.46670	4.2
97.10155	19.3
98.21459	8.0
99.04425	5.3
105.07023	43.1
107.08578	85.3
109.06498	7.3
109.10133	72.4
117.06972	4.4
119.08567	70.0
121.10127	100.0
123.11686	35.5
127.11200	22.7
131.08539	15.3
133.10124	57.2
135.08073	5.5
135.11682	64.9
137.09529	4.7
137.13231	10.4
143.10689	5.6
145.10091	16.7
147.08086	4.5
147.11664	44.5
149.09598	16.9
149.13240	13.1
153.09079	11.1
156.87814	4.3
159.11662	35.9
161.09584	7.3
161.13237	36.2
163.11197	14.0
163.14789	10.1
167.10678	25.4
171.11725	6.2
173.13185	22.5
175.10980	5.4
175.14822	13.2
179.10675	8.7
181.12236	17.1
185.56235	4.1
187.14883	8.3
189.16312	30.9
191.17978	10.2
195.13840	9.8
201.16368	47.0
203.17928	36.5
212.41801	4.1
215.17978	18.7
217.19411	12.0
219.17436	10.0
221.18970	8.5
223.16954	13.4
231.17360	6.7
233.19029	9.8
235.16937	8.7
237.18454	15.5
249.18547	18.0
290.38391	5.4
378.56155	4.9
421.34512	21.9
439.35724	70.9
457.36716	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3671
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
55.05505	20.2
57.07064	8.4
67.05508	22.4
68.22720	2.7
69.07054	29.7
69.51475	3.2
70.89676	9.7
71.04978	10.8
71.08633	3.0
79.05488	15.0
81.07049	45.3
83.08625	20.9
85.06532	5.8
87.63343	3.4
91.05473	21.1
93.07037	49.2
95.08594	63.9
97.06507	6.7
97.10163	16.9
99.04417	6.7
99.08076	8.1
105.07020	40.8
107.08582	100.0
109.10144	73.3
117.06993	7.9
119.08567	61.9
121.10132	85.0
123.08040	4.1
123.11700	32.8
125.09628	6.3
127.07593	5.0
127.11170	24.1
131.08527	15.3
133.10114	63.7
135.08049	5.1
135.11679	72.4
137.13242	12.2
143.08522	3.1
143.10619	3.7
144.09309	4.4
145.10095	21.7
147.11679	52.0
149.09612	14.3
149.13263	16.8
153.09087	7.7
157.10107	8.7
159.11685	31.1
161.09631	4.2
161.13235	30.6
163.11171	7.3
163.14812	9.6
167.10677	24.4
171.11632	5.7
173.09618	4.4
173.13222	17.9
175.11201	6.0
175.14819	12.8
177.12683	3.9
177.16335	6.2
179.10699	6.6
181.12303	17.1
185.13316	7.2
187.14809	12.2
189.12820	4.7
189.16341	26.9
191.17941	8.1
195.11864	2.9
195.13770	12.6
199.14838	7.9
201.16364	39.4
203.17972	30.8
207.17360	7.6
213.16412	4.8
215.18011	15.4
217.16000	3.7
217.19501	10.6
219.17397	10.2
221.15392	4.0
221.18968	5.4
223.16959	12.3
229.19446	7.1
231.17409	6.5
233.18947	9.0
235.16913	9.6
237.18520	9.4
249.18538	12.6
315.26730	3.0
369.27887	6.8
371.29599	4.5
421.34738	18.5
439.35684	63.4
457.37357	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	457.3673
Annotation	lansiolic acid
Peak:m/z	Relative Intensity
53.43719	3.6
55.05496	20.6
57.07062	8.1
67.05496	31.5
69.07063	31.5
71.04988	13.7
79.05478	18.1
81.07047	48.4
83.08606	16.2
85.06506	6.8
91.05465	19.0
93.07037	49.1
95.04961	6.6
95.08598	68.5
97.06524	8.2
97.10149	19.8
99.04435	10.2
99.08062	6.6
101.06047	6.5
105.07021	41.5
106.93839	4.0
107.08588	100.0
107.81334	4.2
109.06472	4.1
109.10152	69.0
111.08059	4.9
111.11713	4.3
117.07034	5.0
117.20095	3.8
117.81686	4.0
119.08566	61.5
121.10143	89.2
123.11667	30.1
125.09646	6.7
127.11151	15.5
131.08566	12.4
131.12494	4.6
133.10117	64.4
135.11681	67.2
137.13258	13.6
143.08572	6.8
143.10687	4.6
145.10107	24.3
147.11676	47.8
149.09612	8.2
149.13242	16.5
153.01794	12.7
153.09100	8.6
157.10022	11.5
159.11691	34.9
161.09599	9.2
161.13228	28.7
163.11287	5.8
163.14790	11.2
167.10680	14.4
169.66550	4.3
171.11632	8.9
173.13235	17.6
175.14818	18.6
177.16379	7.2
181.12143	10.5
185.13158	4.8
187.14769	15.0
189.16335	36.7
191.17932	15.7
195.13835	6.4
201.16350	28.7
203.17918	36.6
207.17368	5.1
213.16464	7.0
215.17958	14.1
217.15831	7.8
217.19397	11.3
219.17358	7.0
221.18925	7.0
223.16811	10.2
231.17448	10.6
235.16887	5.5
237.18390	6.0
249.18408	16.7
397.34814	5.7
421.34488	17.9
439.35858	51.0
457.36758	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	457.3671
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
50.27674	2.5
51.06841	3.3
51.34827	3.1
51.94022	2.7
55.05508	24.0
57.07058	8.6
67.05486	25.1
69.07059	27.7
69.70187	22.2
71.04970	13.5
79.05495	16.1
81.07051	52.9
83.08604	21.1
85.06512	4.6
91.05477	18.2
93.07030	56.0
95.04952	3.1
95.08015	5.3
95.08597	66.6
97.06499	6.8
97.10127	11.7
99.04413	4.7
99.08093	6.7
101.06001	5.2
105.07016	46.9
107.04852	2.8
107.08578	91.8
108.08884	3.9
109.06425	4.0
109.10142	69.1
111.11707	3.1
111.99473	2.9
115.07541	3.0
117.07016	4.9
119.07748	4.2
119.08565	57.7
119.51620	2.6
121.10129	100.0
123.08050	5.1
123.11687	37.8
125.09588	6.3
127.11186	28.5
129.07025	3.4
131.08585	15.7
133.10117	65.2
135.08069	7.5
135.11674	65.5
137.09639	3.0
137.13254	8.6
141.12781	3.7
143.08479	5.3
143.10690	3.5
145.10121	28.2
147.11670	48.8
149.09560	13.0
149.13298	15.8
153.01799	9.3
153.09058	8.6
157.10127	7.0
158.10789	5.9
159.11673	34.5
161.09544	4.8
161.13245	30.6
163.11166	12.1
163.14738	5.3
167.10648	23.9
167.20064	3.0
169.09930	3.1
171.11693	8.2
173.13251	16.3
175.14828	11.3
177.16423	7.1
179.10637	8.3
181.12184	16.3
185.13263	4.8
187.14778	10.3
189.12764	3.4
189.16335	24.3
191.14149	3.7
191.18027	6.8
193.12224	3.5
195.13783	7.2
199.14803	7.9
201.16338	30.7
203.14275	3.9
203.17899	37.6
205.15829	4.9
205.19434	3.0
207.17485	5.1
213.16457	6.4
215.17911	11.8
217.15800	4.6
217.19498	9.5
219.17377	9.1
221.18987	6.3
223.16898	10.2
227.17810	5.1
231.17386	6.0
233.19040	8.1
235.16867	9.1
237.18562	14.0
241.19530	3.2
249.18452	18.7
284.96857	3.0
320.44556	3.6
421.34543	16.6
439.35681	51.0
457.36346	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	457.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.6
68.99782	4.0
69.87925	0.8
69.88344	2.0
79.01836	5.7
97.02900	0.6
105.03394	1.0
107.01287	1.2
111.00797	2.1
123.04382	0.7
125.02353	3.2
127.03908	11.7
139.03850	1.2
143.03378	8.4
145.06511	0.6
147.04355	0.7
149.02347	0.7
151.03893	1.8
153.01807	100.0
153.02757	4.1
154.02122	1.6
159.04527	0.5
161.02315	0.5
163.56630	0.4
171.04391	2.5
173.06017	1.8
175.03920	1.6
177.05434	0.8
179.03363	13.9
185.05927	0.8
189.05423	0.8
199.03865	5.3
201.05388	2.1
203.03374	2.3
213.05394	2.8
217.04887	2.6
219.06523	1.6
227.03421	1.4
229.04970	1.8
231.06528	0.7
241.04915	2.1
245.04405	4.8
257.04373	1.7
259.05826	0.6
269.04428	1.6
287.05463	30.8
288.05765	1.2
303.04950	8.0
305.06543	7.5
313.03568	0.8
331.04462	9.5
464.86063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02370	0.8
60.83451	0.5
68.99782	3.4
70.82315	1.2
75.02395	0.4
79.01836	5.3
79.95927	0.5
97.02880	1.8
105.03352	0.7
107.01291	1.4
110.82598	0.4
111.00794	2.7
118.10366	0.4
123.04384	0.9
125.02319	3.3
126.25077	0.4
127.03903	16.0
133.02881	0.8
139.03902	1.3
143.02290	0.4
143.03387	7.6
145.06464	0.8
147.04402	1.2
150.22977	0.4
151.03857	2.4
153.01819	100.0
154.02144	0.9
163.03873	0.5
171.04391	2.8
172.11626	0.4
173.05992	1.5
175.03922	2.7
177.05501	1.3
179.03387	16.1
185.06039	0.8
189.05440	0.6
199.03908	4.0
201.05347	2.3
203.03377	4.4
213.05466	2.5
217.04921	2.4
219.06502	2.1
221.90178	0.4
227.03392	0.7
229.04967	1.6
231.06497	0.8
241.05000	1.8
245.04459	3.5
257.04391	2.0
257.70483	0.4
259.06006	0.7
269.04492	2.3
285.03888	0.7
287.05487	31.3
288.05875	0.9
303.04968	8.6
305.06564	8.7
313.03412	1.1
331.04468	8.1
364.94339	0.4
368.16983	0.5
457.19778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01480	1.1
68.99787	6.4
69.96282	3.4
69.96697	3.7
70.85477	1.2
79.01836	5.6
97.02896	2.1
98.21474	1.3
98.97560	3.4
104.15427	1.1
104.32582	1.2
107.01283	1.4
111.00785	3.3
125.02320	3.4
127.03907	11.4
131.96126	4.3
132.95804	2.7
143.03345	5.8
146.99565	1.3
147.04359	2.0
149.02284	2.2
149.97198	1.4
150.96890	1.4
151.03827	2.8
153.01814	100.0
153.02887	4.3
162.13815	1.3
163.02695	1.4
171.04401	3.3
173.06030	2.3
173.97215	1.7
174.96864	2.6
175.03937	3.2
177.05440	1.7
179.03368	15.8
185.06044	2.4
186.96944	1.7
197.97266	1.8
198.97015	2.1
199.03992	7.0
201.05478	2.9
203.03369	2.8
205.00156	1.6
210.96806	1.6
213.05403	4.2
215.98323	2.3
216.98111	2.5
217.04900	4.1
219.06517	4.3
227.03465	1.9
228.01105	1.4
233.99190	1.5
234.99072	3.2
241.04921	2.8
245.04445	8.7
266.90320	1.1
269.04297	1.9
276.00314	5.9
277.00146	17.5
279.03769	1.6
287.05478	54.7
303.04941	8.8
305.06613	9.9
307.01233	2.7
331.04465	10.0
413.08624	2.3
457.06531	11.4
457.12491	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	457.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
60.39712	0.5
68.99788	3.8
70.51465	1.2
70.51840	1.0
79.01853	6.6
84.40208	0.5
97.02890	1.1
107.01288	0.9
111.00795	2.6
115.86388	0.5
123.04386	0.7
125.02352	4.5
127.03910	15.1
130.48744	0.6
133.02843	1.2
139.03909	1.1
139.74298	0.5
143.03391	10.7
145.06424	0.7
147.04393	1.1
149.02229	0.7
151.03937	2.0
153.01820	100.0
153.02783	4.1
154.02133	1.3
157.06541	0.7
161.02405	1.1
171.04372	3.1
173.05994	1.9
175.03825	2.6
177.05516	0.6
179.03384	16.3
183.04424	0.7
189.05566	0.7
199.03920	4.7
201.05394	2.6
201.20728	0.6
203.03360	3.7
205.14702	0.5
213.05428	2.0
217.05002	2.7
219.06525	2.1
227.03525	0.9
229.04962	1.6
241.04916	2.2
245.04466	3.5
257.04382	1.7
267.03003	0.7
269.04340	1.3
287.05478	27.5
288.05801	0.8
303.05002	8.5
305.06500	8.4
331.04440	9.5
345.25510	0.7
434.00366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
68.99783	4.2
70.36991	0.4
70.45066	0.4
70.53056	0.5
70.98178	0.6
70.98499	0.7
72.81554	0.4
78.72913	0.5
79.01848	4.7
79.24138	0.5
92.03012	0.4
97.02896	1.2
105.03382	0.6
107.01305	1.3
111.00763	2.5
123.04456	0.7
125.02339	3.3
127.03912	15.1
133.02815	0.6
139.03918	0.9
143.03400	7.8
145.06500	0.6
147.04341	1.1
149.02396	0.6
151.03897	2.0
153.01819	100.0
154.02164	1.3
157.06508	0.5
159.04410	0.5
171.04474	2.1
172.15515	0.5
173.05981	1.2
175.03903	2.9
175.05183	0.5
177.01862	0.5
179.03378	16.7
185.05942	0.5
189.05443	0.6
199.03902	4.1
201.05452	2.1
203.03423	4.1
213.05461	1.8
217.04927	2.5
219.06543	1.9
227.03366	1.1
229.04965	1.8
231.06458	0.6
241.04898	1.7
245.04396	3.8
257.04391	1.6
259.06116	0.8
269.04483	1.9
285.03949	0.9
287.05487	33.9
288.05838	0.9
303.04990	8.7
305.06500	9.9
313.03546	1.0
331.04477	10.4
446.64841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	10.3
57.07063	4.6
59.04979	2.3
59.70447	2.0
61.02917	3.9
67.05482	7.1
68.99784	4.8
69.03426	44.3
69.07060	2.4
71.04993	3.0
71.70589	2.1
71.70972	2.1
73.02914	3.6
75.04452	3.6
79.01840	4.2
79.05480	4.8
81.03404	3.1
81.07039	7.8
83.08591	2.2
85.02897	51.3
87.04456	24.2
91.03917	2.7
91.05473	3.8
93.07051	3.5
95.04966	2.1
95.08581	4.4
97.02884	38.4
97.06506	2.0
105.07005	4.6
107.04951	2.0
107.08546	2.7
109.02876	3.7
109.10139	3.0
111.00758	1.9
115.03912	38.8
119.08607	3.6
125.02343	4.2
127.03916	26.3
130.99989	1.9
131.04977	2.4
133.04945	45.4
138.08302	2.3
139.03951	2.6
143.03383	6.3
145.04916	16.2
145.10110	2.3
147.04419	6.0
148.04813	2.3
150.07597	4.9
151.03902	3.3
153.01816	100.0
163.05984	4.1
165.09062	3.2
171.13799	24.7
175.03897	3.3
179.03371	14.6
187.14876	2.8
199.03836	2.6
203.03340	2.7
217.04822	3.0
245.04340	3.4
287.05502	26.8
303.04837	10.0
305.06531	8.8
321.25931	2.2
331.04492	8.0
407.11407	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.05492	17.2
57.07047	4.9
58.05867	3.8
67.05505	37.2
69.07056	31.7
71.04977	6.6
71.45146	7.7
76.47822	4.0
79.05478	20.8
80.06431	4.6
81.07048	66.0
83.08610	13.9
85.02879	4.7
88.09875	4.5
91.05482	26.5
91.70038	4.2
93.07035	47.9
95.04909	4.6
95.08595	100.0
97.10186	6.6
105.07025	59.2
107.08588	90.5
109.06518	10.3
109.10149	74.6
111.08067	83.0
117.06984	12.0
119.08572	76.1
121.10129	71.4
123.07993	7.7
123.11696	31.0
125.09598	5.5
131.08565	22.4
133.10120	56.8
135.11694	43.2
137.13263	5.9
139.11154	9.3
143.08560	7.1
145.10114	33.7
147.11682	55.4
149.09622	4.5
149.13249	52.6
157.10081	5.1
159.11702	40.6
161.13231	48.7
163.14832	33.3
165.12750	9.1
171.11685	5.5
173.13200	23.9
175.14804	34.1
177.16391	39.8
187.14812	24.5
189.16374	77.5
191.17909	15.1
199.14748	9.5
201.16362	45.1
203.17934	78.8
205.15852	18.0
205.19492	10.0
207.17448	19.6
213.16360	7.7
215.17960	21.7
217.15782	9.9
219.17415	14.5
221.19017	5.5
227.17921	5.4
231.17487	6.1
235.17021	6.9
240.88028	4.3
241.19588	6.2
243.21088	4.5
247.16997	4.8
249.18457	18.7
255.20811	4.5
344.82404	4.3
351.30249	5.4
391.33441	13.6
397.30801	11.8
409.34631	82.1
410.34528	5.7
437.34128	46.4
455.35379	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	12.5
57.90567	3.9
61.02903	14.5
67.05504	24.9
69.03419	7.8
69.07049	18.6
73.02905	4.9
79.05476	20.0
81.03394	4.9
81.07047	34.5
83.08612	13.3
85.02891	11.1
91.05467	16.7
93.07028	30.0
95.08105	4.6
95.08607	50.9
97.02901	9.6
97.10146	6.7
105.07023	23.3
107.08575	47.3
107.37296	4.2
109.02835	4.6
109.10142	32.0
117.06973	4.2
119.08598	42.2
121.10143	52.2
123.11696	9.5
127.03953	5.3
131.08556	11.6
133.10153	32.1
135.08205	4.2
135.11711	22.0
138.44885	4.1
145.10126	19.1
147.11681	25.8
149.13216	22.1
159.11652	11.7
161.13281	24.4
163.11160	5.0
163.14799	25.3
173.13228	11.6
175.14780	27.8
177.16368	33.2
187.08199	9.1
187.14816	19.7
189.16386	30.2
191.17896	11.2
201.16414	9.3
203.17964	81.8
205.15866	54.7
213.16426	5.1
215.17894	11.5
219.17503	6.8
227.18082	4.6
235.09877	5.7
235.60037	4.9
249.18469	8.2
251.11192	20.3
259.07263	4.4
269.12314	91.9
270.12482	12.6
292.13834	9.5
335.25693	10.8
409.34607	100.0
418.90411	4.9
437.33975	14.1
455.34824	18.3
480.32358	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	455.3516
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
52.53201	2.9
55.05503	14.6
57.07060	4.0
63.99209	2.9
64.90060	2.7
67.05502	20.1
69.07071	21.5
71.04991	5.5
71.71371	5.0
79.05508	16.5
80.80416	2.5
81.07049	41.7
83.04964	2.9
83.08614	10.3
91.05470	14.4
93.07040	36.1
95.08598	69.5
97.10165	3.6
105.07027	38.4
107.08588	66.8
109.06471	4.2
109.10142	50.1
111.08076	5.1
113.71138	2.8
119.06146	2.9
119.08578	57.1
121.06536	3.5
121.10141	56.0
123.11714	18.8
130.04271	3.0
131.08540	11.3
133.10127	44.7
135.11658	24.6
137.09688	4.1
137.13248	4.7
143.08600	3.9
145.10101	27.7
147.11674	36.4
149.13260	26.2
153.09103	4.2
157.10089	6.5
159.11690	19.4
160.12447	2.7
161.09697	3.6
161.13243	22.4
163.11154	6.5
163.14841	23.4
165.12767	7.8
166.05812	2.8
171.11662	5.8
173.13223	15.4
175.11244	4.2
175.14827	29.5
177.16382	41.4
179.14247	3.2
185.13252	4.4
187.14833	22.5
189.16386	39.7
191.14404	4.6
191.17902	9.3
199.14824	3.8
201.16275	16.9
203.14186	3.4
203.17947	93.2
205.15898	60.7
205.19510	6.1
207.17503	5.3
213.16336	4.7
215.17923	11.1
217.15947	4.9
217.19585	7.4
219.17407	6.0
229.19272	3.7
231.17485	5.2
235.17006	5.0
243.21030	5.0
249.18488	12.5
253.19528	3.4
255.21022	4.8
261.18600	3.2
262.16467	3.2
295.24323	2.6
379.29965	3.5
391.33566	8.4
409.34647	100.0
410.34814	4.1
419.32663	3.3
437.34091	25.7
455.35321	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05508	5.6
57.07062	4.4
67.05505	5.3
69.03438	1.2
69.07072	5.9
70.29432	4.0
71.08624	1.2
79.05106	1.0
79.05490	6.1
81.07053	13.8
83.04971	2.0
83.08617	3.1
91.05463	4.9
93.07043	11.5
95.04936	2.5
95.08604	14.1
95.60713	0.9
97.06538	2.6
97.10146	2.7
99.08088	2.7
99.37247	0.9
105.07029	9.9
107.04927	1.3
107.08588	18.1
109.06494	2.0
109.10146	10.5
111.08096	1.5
112.44067	0.9
113.54250	1.0
117.06966	1.2
117.75651	0.9
119.08576	22.4
119.51676	1.2
121.06510	2.1
121.10159	8.6
123.08028	1.7
123.11716	5.0
125.05985	8.0
125.09608	3.2
129.06978	1.2
131.08551	3.5
133.10115	20.4
135.08041	5.3
135.11688	24.4
137.09616	2.3
137.13239	1.8
139.07539	4.0
139.11145	1.1
140.73537	0.9
143.08572	2.5
145.06535	1.3
145.10133	10.8
147.11676	13.8
149.13231	3.3
151.11201	3.3
157.10118	3.4
159.08020	2.0
159.11665	5.1
160.56949	0.9
161.09665	3.0
161.13257	3.6
163.14827	6.8
165.12747	1.3
169.10118	2.0
171.11697	3.1
173.09607	7.4
173.13289	3.6
175.11188	8.0
177.09103	4.7
177.16293	1.0
185.13232	2.1
187.11188	11.0
187.14769	8.7
189.16382	45.4
190.16777	1.8
191.10677	4.5
197.13206	5.6
199.14819	1.3
205.15829	2.9
207.17436	100.0
208.17728	2.2
211.14810	3.0
213.16414	1.7
215.14311	18.8
217.15851	1.2
229.15872	77.3
230.16264	1.8
231.17474	8.0
233.15353	34.5
234.15669	1.4
239.23610	1.1
243.17435	4.8
247.16924	30.3
249.18640	1.3
257.18994	4.4
269.19055	1.5
283.20575	3.4
297.21985	1.0
325.65997	1.0
380.39063	0.9
391.46786	0.9
419.33087	3.1
437.28027	1.3
437.34131	36.6
455.35190	95.7
456.35449	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.00303	0.8
53.03934	0.5
55.01867	0.6
55.05503	0.6
64.78823	0.2
65.03925	1.2
67.05493	0.9
68.99787	2.3
69.03409	0.8
69.07043	0.3
69.48281	0.9
69.48705	1.5
75.04501	0.3
79.05478	2.6
81.03424	0.5
81.07038	0.9
83.01317	0.3
85.02874	0.3
89.03902	0.5
91.05470	2.8
93.03396	0.3
93.07034	9.6
95.04963	0.8
95.08607	0.9
100.11185	0.2
103.05481	0.3
105.03375	0.4
105.07010	1.5
107.04913	0.3
107.08588	2.3
109.10122	0.9
111.00795	3.1
111.04456	0.9
111.08063	0.3
115.05441	0.6
117.03374	0.7
119.04919	1.1
119.08566	0.5
121.02850	1.9
121.06495	0.3
121.10139	5.9
122.10440	0.3
123.04428	2.1
123.11765	0.3
125.09589	0.2
127.03893	0.6
131.04898	0.4
131.08565	0.4
133.02843	0.8
133.06433	0.4
133.10118	0.6
135.04408	0.7
137.09575	0.4
139.03888	100.0
140.04228	1.8
140.05249	0.3
145.02811	1.3
145.06525	0.3
147.03305	0.5
147.04398	5.6
149.02248	0.2
149.05966	1.1
149.09579	1.7
151.03886	10.6
161.05945	0.8
163.03891	13.2
164.04413	0.4
167.07071	0.3
167.10629	0.6
177.05453	2.4
179.07013	2.1
181.05089	0.4
189.05530	0.3
191.07045	0.6
197.06091	0.4
201.05499	0.3
203.07039	0.6
205.04938	4.4
209.65892	0.3
212.07066	1.1
213.02066	0.3
229.04909	0.3
231.10118	2.5
243.06519	0.3
247.06071	0.5
257.04681	0.3
259.13263	0.6
261.07480	0.3
267.71375	0.2
271.05942	0.8
287.05447	1.0
287.12711	0.9
289.07050	24.2
290.07428	1.1
301.07074	2.1
312.08652	0.3
437.16098	0.4
455.16891	2.7
455.22522	0.7
455.32913	0.7
456.16501	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	455.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.8
53.02982	0.3
53.03934	0.7
55.01863	0.9
55.05508	2.2
57.03423	0.5
59.04987	0.4
61.02905	1.1
65.03927	1.6
67.05495	7.4
68.99786	0.7
69.03436	2.2
69.07050	1.1
70.25265	0.6
70.25674	1.5
71.04987	1.8
79.05484	4.4
81.03414	1.0
81.06612	0.5
81.07046	4.5
83.04971	1.0
83.08601	1.3
84.74047	0.4
85.02908	0.8
91.05474	6.0
93.03391	0.6
93.07038	10.5
95.04955	2.0
95.08569	1.0
97.02861	1.0
97.06520	0.4
97.10172	0.8
105.03346	0.4
105.07017	3.0
107.08569	2.5
109.10140	4.3
111.00795	0.4
111.04433	2.9
111.08082	0.4
116.06226	0.6
117.06992	0.6
119.04925	1.1
119.08559	1.3
121.02866	1.0
121.06489	0.7
121.10137	7.3
123.04417	2.3
123.08062	0.7
123.11707	1.0
125.09604	0.9
131.08546	1.9
133.10092	0.7
135.11679	0.6
139.03888	100.0
140.04231	2.1
147.04402	4.6
147.11705	0.8
149.05978	0.7
149.09610	4.0
151.03893	4.9
151.11076	0.5
163.03891	3.3
165.05302	0.4
173.11664	1.1
179.07018	0.7
183.13795	0.6
189.11241	0.6
191.07021	0.5
193.05022	0.5
193.08261	0.4
193.12230	0.5
205.04900	2.1
211.13292	0.5
213.08066	0.4
227.12846	0.7
247.05891	0.6
267.09140	0.4
283.06152	0.5
285.10077	1.1
289.06998	3.9
354.66156	0.4
411.27307	0.9
455.26138	0.7
455.30432	0.9
465.81015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02703	0.8
51.65040	0.7
52.13454	0.7
67.29060	0.8
71.63140	1.2
71.63510	1.0
73.12183	0.8
88.30900	0.7
90.26543	0.9
92.49059	0.8
93.06512	0.8
93.51849	0.8
101.00854	1.1
112.89600	29.5
118.85475	0.9
119.01928	1.0
157.03465	0.9
161.02965	2.7
169.03474	1.4
187.04492	1.7
200.93303	0.9
203.03915	1.1
222.23177	0.8
263.06213	7.2
275.06165	5.4
276.00449	0.9
291.05844	1.2
320.51672	0.9
335.45001	0.8
339.38144	0.9
377.09476	1.0
395.10428	1.3
455.11588	100.0
456.11911	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	454.2921
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05513	3.4
57.03432	2.8
57.07075	20.2
58.37768	1.5
59.27621	1.5
62.06086	26.7
67.05514	6.8
69.07069	2.6
71.08627	15.6
81.07052	7.2
83.08610	4.4
85.10193	8.9
93.07022	2.0
95.08578	7.7
98.20714	4.3
98.98454	5.7
109.10146	3.4
123.11700	2.2
124.01711	1.6
155.01050	8.1
178.64301	1.5
181.06494	1.5
211.82712	1.5
216.06322	3.6
239.23711	2.1
274.72858	1.7
282.27847	9.3
313.27341	100.0
314.27835	2.3
393.23978	5.8
436.27936	2.4
438.00427	1.6
454.33826	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	454.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94632	1.7
55.05503	4.8
57.07070	40.0
67.05477	3.9
69.07063	4.1
70.74412	3.9
70.74770	4.8
71.08624	28.4
72.49203	1.9
73.06559	6.4
79.05485	4.0
81.07043	6.3
83.08614	5.6
85.10167	19.8
87.04443	4.7
89.06021	100.0
91.05462	2.6
93.07047	4.9
95.08598	5.3
97.10129	5.5
99.11725	4.4
100.11265	2.2
105.07047	3.3
107.07050	3.9
107.08555	3.6
109.10106	3.9
114.74884	1.8
117.09115	2.8
119.08615	3.2
130.08629	3.5
133.08589	44.3
133.10155	4.7
135.11754	2.3
143.10619	2.6
145.55656	2.0
155.17966	3.8
159.11633	2.4
165.99539	1.8
171.85262	2.1
173.13135	1.9
177.11168	18.2
177.12428	1.9
177.16447	1.7
181.67395	1.9
195.12291	3.4
199.20656	3.3
201.16290	2.3
220.87729	2.0
243.23253	5.9
283.17532	16.6
287.25858	4.5
307.02795	2.3
349.29288	2.1
437.34839	11.8
454.33936	6.5
455.35770	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78895	2.5
55.01866	3.0
55.05507	6.3
56.96560	7.0
57.03436	29.5
59.04990	4.6
61.02927	15.3
62.62753	2.6
67.05490	8.9
69.03050	5.1
69.03423	98.0
69.07063	16.5
71.04984	8.6
71.29636	5.6
73.02894	10.1
75.04469	3.8
79.05473	6.8
81.03412	16.6
81.07031	11.5
83.04964	4.8
83.08587	6.7
85.02901	100.0
87.04458	60.2
91.03949	7.8
91.05457	7.6
93.07040	6.9
94.22127	2.8
95.04945	3.9
97.02882	79.3
97.06479	2.9
98.03233	3.0
99.04426	3.8
105.07003	4.8
107.08597	3.7
109.02879	6.1
109.10129	3.4
115.03922	94.7
117.06826	2.8
119.04910	3.4
119.08549	4.8
121.10139	3.5
127.03924	14.6
131.08522	3.0
133.04958	94.8
133.10143	3.4
139.03960	3.3
139.07483	4.7
145.04922	23.9
147.04384	9.6
150.07555	12.5
153.12694	4.2
163.06006	6.2
177.12691	2.9
193.12250	3.4
203.05994	4.4
205.07069	3.6
209.15372	5.1
211.13237	2.7
223.06078	3.2
239.16380	3.3
239.55243	2.4
241.07004	3.6
243.08826	3.0
257.17639	4.0
259.08154	4.9
267.08972	22.6
267.15836	3.2
285.10052	35.3
286.10275	4.1
299.11707	3.7
317.12692	4.8
324.11542	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	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02494	2.4
53.03931	4.2
55.05502	19.6
55.80612	2.3
57.07072	5.4
67.05162	2.1
67.05504	33.3
67.31499	2.1
69.07060	23.7
70.65755	5.1
70.66151	3.8
79.05490	19.5
81.07052	70.2
83.04972	17.5
83.08636	11.9
85.06534	4.7
91.05477	29.9
93.07042	49.1
95.04961	8.9
95.08601	74.9
97.06535	4.0
97.10165	5.3
99.08115	2.7
101.03419	2.1
105.07025	76.6
107.08584	78.2
109.06513	6.4
109.10148	44.6
111.08073	6.1
117.06990	8.0
119.08571	100.0
119.90365	2.0
120.08886	3.0
121.10135	54.8
123.08059	5.3
123.11698	22.4
125.09632	7.3
128.06274	2.1
129.07043	2.6
131.08551	34.7
133.10121	61.9
135.07988	2.5
135.11691	21.5
137.09612	3.2
137.13257	4.1
143.08543	11.9
144.09315	4.6
145.10118	58.7
146.10533	2.7
147.11682	43.7
149.09587	3.3
149.13245	16.8
151.07573	2.3
151.11189	5.6
155.08539	3.6
157.10104	13.9
159.11676	64.6
161.13248	31.4
163.11150	3.7
163.14804	18.9
165.12770	5.0
169.10129	2.8
170.93031	2.5
171.11699	11.3
172.12511	4.1
173.13239	31.5
175.14813	32.8
177.12819	3.0
177.16351	21.3
183.11745	5.2
184.12466	2.9
185.13263	6.7
187.14793	54.3
189.16376	71.9
190.16869	2.5
191.14328	15.1
191.17911	13.0
193.15787	4.7
199.14793	16.5
201.16385	77.1
202.16605	3.4
203.14273	5.0
203.17931	28.4
205.15898	19.2
213.16408	27.1
215.14548	2.2
215.17937	31.7
217.15941	10.7
217.19504	11.1
218.08533	2.5
219.17456	45.8
222.03894	2.3
227.17897	2.4
229.15944	2.6
229.19499	4.4
231.17374	7.0
231.20955	2.4
233.18991	3.9
235.16930	18.5
241.19540	9.6
243.21201	6.6
247.16937	8.1
249.18486	4.1
255.21021	7.9
257.19089	2.9
257.22635	2.8
261.18549	7.7
267.15808	3.3
267.21112	9.4
269.22562	3.7
355.81979	2.5
389.31995	9.7
407.33063	59.6
408.33304	3.1
409.34476	5.9
423.32339	3.7
435.32538	14.3
453.28281	7.5
453.33646	25.9
454.33899	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	453.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.4
55.05500	32.3
56.96558	5.5
57.03435	6.0
57.07074	7.0
61.02910	8.5
67.05503	46.9
68.05791	2.7
69.03416	8.6
69.07059	26.1
70.31598	13.3
71.04977	7.2
72.93765	3.5
73.02870	4.6
79.05479	36.4
79.97406	2.9
81.03409	26.8
81.07048	92.3
82.07392	3.9
83.04969	26.7
83.08624	21.1
85.02898	17.1
85.06524	4.7
91.03933	7.8
91.05468	41.3
93.07034	51.2
95.04951	19.6
95.08599	100.0
97.02857	3.6
97.06515	7.0
97.10153	10.6
105.07023	85.7
106.81427	3.3
107.03397	2.7
107.04929	4.2
107.08582	78.8
109.06484	13.0
109.10142	55.1
109.10877	3.5
111.08048	10.5
111.11675	4.3
117.06999	13.4
119.08568	94.7
120.08867	3.7
121.06448	4.9
121.10133	61.8
123.08079	6.9
123.11689	24.9
125.09609	7.8
128.06238	3.8
129.06998	9.2
131.08566	44.8
133.06552	2.8
133.10109	63.2
135.08058	4.6
135.11681	25.3
137.09590	7.3
137.13222	3.6
139.03862	5.2
139.07523	3.3
142.07733	4.1
143.08553	13.5
145.10107	56.5
147.07964	4.2
147.11676	47.8
148.98991	2.8
149.02263	3.1
149.09598	7.4
149.13242	19.1
151.11169	6.4
153.09114	6.1
157.10114	21.0
159.11678	46.0
161.09581	5.4
161.13261	31.2
163.11151	8.3
163.14784	25.4
165.12753	4.7
169.10054	3.6
171.11673	10.3
173.13274	28.5
175.11197	6.2
175.14804	41.1
177.16415	37.2
183.11678	5.0
185.13214	9.8
187.13286	5.8
187.14813	62.7
188.15137	3.9
189.16367	81.4
191.14267	22.1
191.17935	19.0
193.12242	11.9
199.14856	15.0
201.16367	59.2
203.14296	8.7
203.17923	67.4
205.15874	64.6
205.19514	6.2
207.17477	4.6
211.13222	15.1
213.16313	20.8
215.14323	4.7
215.17958	21.6
217.15846	13.7
217.19487	8.5
219.17421	24.4
221.15291	3.7
227.17908	5.8
231.17487	6.7
233.18916	3.9
235.16905	9.5
241.19533	5.2
243.21037	4.0
247.16924	6.3
249.18497	6.4
261.18558	6.3
267.08954	9.3
267.16019	4.6
267.21207	4.7
269.12338	4.1
283.06186	12.5
285.10117	19.5
297.83365	3.1
301.21661	3.4
324.11722	4.0
379.33331	3.8
389.32025	15.2
395.33209	4.7
407.32996	56.4
408.33716	5.2
409.34750	7.5
423.31949	3.8
425.34119	8.6
435.32620	15.8
453.28195	10.4
453.33652	29.7
454.28198	5.8
461.23520	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	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77188	2.4
53.03925	5.0
55.05503	15.6
57.07059	5.8
67.05176	3.7
67.05499	27.1
69.07059	22.1
72.95700	2.5
79.05482	22.4
81.07049	63.4
83.04974	23.6
83.08619	12.2
91.05478	33.3
93.07038	54.6
95.04961	14.2
95.08600	73.1
96.05254	2.5
97.06504	4.8
97.10159	5.2
98.54783	2.5
100.11243	3.1
105.06337	5.5
105.07024	78.5
107.08580	80.1
109.06499	11.6
109.10136	48.0
111.08056	7.2
111.37341	2.4
117.06996	13.9
119.08568	100.0
120.08807	2.9
121.10139	61.9
123.08042	8.0
123.11681	19.4
125.09623	10.0
129.06964	4.4
131.08553	37.3
132.08803	3.0
133.10115	66.6
135.08026	5.3
135.11682	27.4
137.09564	4.5
137.13211	3.9
139.94662	2.8
143.08542	16.7
144.09296	3.4
145.10114	67.6
147.11682	44.0
149.09616	7.8
149.13242	17.4
151.11153	7.5
153.09102	3.6
156.09369	3.0
157.10092	18.7
159.11687	55.5
161.09622	3.2
161.13251	33.2
162.13589	2.8
163.11166	7.8
163.14795	20.6
169.10152	4.0
171.11693	12.1
172.12531	3.2
173.13254	30.3
175.14798	31.2
177.12833	3.1
177.16367	25.2
179.10619	4.0
179.45938	2.8
183.11693	5.0
185.13216	10.6
187.13284	4.2
187.14821	48.1
189.16380	67.0
191.14270	11.3
191.17917	13.4
193.15892	3.9
197.13277	3.2
199.14789	16.4
201.16377	84.6
202.16714	3.9
202.89442	2.6
203.14267	2.6
203.17947	34.8
204.18359	3.5
205.15930	14.5
205.19472	2.7
207.17323	5.5
211.14853	2.7
213.16356	29.0
215.17909	42.9
217.15874	21.4
217.19476	7.8
219.17409	38.7
221.62915	2.5
225.16290	6.1
227.17963	6.7
229.19487	4.0
231.17429	10.2
233.18971	4.6
235.16908	13.9
241.19507	8.9
243.21014	6.3
247.16919	7.2
249.18517	4.6
253.19553	3.4
255.21040	6.6
261.18506	16.9
267.21030	6.4
269.22504	4.2
333.25745	3.6
349.28745	3.0
351.26752	5.2
372.11484	2.7
389.32050	16.0
393.44348	2.5
395.29446	4.6
407.33093	62.2
408.33340	5.4
409.34634	6.1
423.32721	4.1
435.27386	2.8
435.32513	18.9
453.28671	4.7
453.33804	47.4
454.33954	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	453.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01857	0.9
55.05506	18.7
57.03434	4.7
57.07056	2.6
59.04982	1.3
65.03917	1.9
67.05495	56.9
68.05805	0.8
69.03402	2.8
69.07049	6.6
69.93309	4.6
71.04984	9.4
71.08608	0.9
71.97085	0.8
79.05485	21.4
81.03405	25.9
81.07047	100.0
83.04959	6.8
83.08607	12.9
85.02887	14.0
85.06529	13.5
91.05471	22.9
93.07026	11.1
95.04961	11.8
95.08596	10.3
97.02887	1.6
97.06524	2.4
97.10163	3.8
98.21481	0.8
99.08104	0.9
105.06338	1.2
105.07018	16.2
107.04935	2.3
107.08593	6.8
109.06499	3.7
109.10134	5.9
111.04442	1.8
111.08060	5.6
112.52229	0.9
113.05991	1.6
119.08554	9.3
120.09007	0.8
121.10127	6.8
123.08088	1.7
123.11683	14.9
125.09582	0.9
127.07397	0.8
129.06999	3.8
131.08533	5.6
132.02075	0.8
133.06456	1.2
133.10115	12.1
137.09557	1.1
139.11221	0.8
147.08014	1.6
147.11674	11.4
149.09607	2.6
151.11142	4.8
157.10094	5.2
165.12767	2.7
169.12224	1.7
175.11177	7.0
187.13266	10.1
193.12221	28.9
194.12445	1.0
211.13283	30.3
212.13638	1.4
243.15771	1.9
267.15836	4.1
435.27213	2.0
453.28427	49.8
454.28732	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1176
Annotation	Epigallocatechin 3-O-p-coumarate
Peak:m/z	Relative Intensity
53.00305	0.4
55.01862	0.4
55.05501	3.6
63.20272	0.4
65.03924	1.5
68.99789	1.1
70.17776	0.5
70.18180	1.5
71.69163	0.4
82.06577	0.9
83.04962	0.7
83.08614	2.9
91.05462	3.6
93.03378	0.6
97.02886	0.5
98.09690	0.5
100.07577	0.4
100.11250	19.4
101.11588	1.7
111.04437	3.9
119.04940	6.8
121.02834	0.8
123.04417	1.6
128.07069	0.4
139.03888	100.0
140.04208	1.9
147.04396	22.2
148.04785	0.5
151.03902	3.4
163.03877	1.8
182.15370	2.6
205.04959	1.6
209.16470	5.2
210.14905	2.3
210.16765	0.6
226.19102	1.1
256.50705	0.4
289.07016	3.2
336.23160	0.5
351.14532	0.4
435.33307	1.5
452.35864	5.9
453.34958	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	453.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59543	0.2
53.00294	0.3
55.01859	0.8
55.05508	2.3
60.72340	0.2
65.03931	1.0
66.41801	0.2
68.99789	1.1
69.39127	2.2
69.39535	0.3
82.06557	0.4
83.04962	0.8
83.08630	1.5
84.04484	0.5
84.20482	0.2
91.05464	3.0
93.03387	0.7
97.02877	0.6
100.11249	9.0
101.11571	0.9
107.04961	0.4
111.04434	4.4
117.07008	0.3
119.04932	6.3
119.05746	0.5
121.02827	0.5
123.04450	1.3
123.36796	0.2
127.03877	0.3
133.06462	0.2
135.04352	0.3
139.03888	100.0
140.04198	1.9
147.04395	21.2
148.04742	0.7
150.89101	0.2
151.03894	2.6
152.32483	0.2
154.12245	0.6
156.13808	0.4
163.03918	1.4
165.19151	0.2
182.15338	1.4
205.04964	1.5
209.16470	1.9
210.14886	0.8
210.16730	0.5
211.07436	0.3
226.19144	0.8
247.05971	0.3
281.18613	0.4
289.07028	3.3
336.22882	0.4
396.41165	0.3
398.02634	0.3
435.33246	1.1
452.36057	2.6
453.34720	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	451.2476
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
51.02372	0.4
51.50734	0.2
53.03939	0.8
55.05511	0.6
61.02932	0.2
67.05499	2.4
69.07055	1.0
69.51878	1.3
69.52308	0.9
71.04972	0.3
77.03928	0.5
79.05501	0.5
81.03417	0.2
81.07040	1.5
83.04961	1.3
91.05463	1.1
93.07038	0.9
95.04965	1.9
95.08595	0.5
97.06520	0.3
99.04489	0.3
102.04704	0.4
103.05459	39.0
104.05779	0.4
105.07049	0.5
107.08566	0.3
109.06453	0.3
109.10142	6.3
113.82829	0.2
119.08589	0.4
121.10146	0.2
123.11700	0.3
125.05979	1.2
129.06960	0.3
131.04915	100.0
132.05231	1.3
135.11649	0.3
141.06976	0.3
143.08511	0.5
144.08119	0.4
145.10114	0.5
149.09612	0.3
157.10027	0.3
159.24997	0.2
163.07570	0.3
167.07074	0.7
169.10124	0.7
179.07040	1.9
181.08589	0.3
181.10059	0.4
185.09604	0.2
187.11118	0.9
195.21146	0.2
228.15248	0.3
237.16386	0.3
247.13348	0.4
255.17328	0.3
265.14352	0.4
303.19550	0.6
309.14865	0.5
329.17374	0.4
351.15875	0.3
415.22409	0.4
433.23581	1.1
451.24625	1.1
451.31433	0.3
468.48392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.3
57.03427	15.9
60.04508	2.7
60.08163	20.0
61.02920	3.9
67.05505	10.9
68.95973	1.9
69.03053	3.5
69.03427	60.3
69.07062	2.9
70.06599	2.1
70.61167	6.8
70.61519	2.6
71.04992	6.3
71.07367	6.9
72.70734	2.2
75.04481	2.9
79.05480	3.7
81.03385	2.8
81.07043	17.4
83.04977	3.4
83.08604	2.9
85.02898	54.1
85.06541	2.6
86.09695	53.2
87.04459	35.9
91.05456	4.7
93.07044	6.6
94.99564	2.0
95.08604	4.4
97.02883	54.9
97.06506	2.5
98.98437	3.1
99.08141	2.6
104.10733	100.0
105.06988	3.4
107.08585	4.3
115.03921	68.3
123.11710	7.0
124.99998	26.4
127.03925	10.8
133.04961	76.7
139.03871	12.8
145.04930	12.7
150.07608	8.8
151.11166	2.6
162.29301	2.1
163.06104	3.1
166.27603	1.9
169.04875	3.0
181.12297	3.7
184.07336	78.5
259.08093	4.0
277.09219	2.9
434.22974	5.6
452.23920	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	451.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.6
63.31842	0.5
69.03406	1.7
71.71676	0.8
77.01055	0.6
79.05471	1.3
81.03405	0.9
81.07053	0.9
85.02897	3.1
91.05466	3.0
93.07032	0.8
94.06557	1.2
96.08110	0.9
97.02854	0.8
104.04980	1.2
106.06551	2.0
107.04926	0.8
108.08104	0.8
109.02882	0.8
118.06523	2.3
119.04926	1.6
120.08103	14.7
122.09712	0.8
124.07595	7.8
126.09134	0.8
127.03878	1.2
134.06013	6.2
136.07553	2.9
137.05981	1.6
138.05489	1.1
139.03860	1.1
145.05069	0.7
146.05948	2.8
147.04419	2.6
147.06796	2.9
148.07570	13.2
150.09167	0.8
152.07045	1.4
153.01791	0.9
163.03958	0.6
164.07062	65.8
165.07565	1.3
166.08623	3.1
169.01326	1.3
191.08195	1.0
200.10799	0.8
214.11101	1.0
215.15419	2.2
216.10193	1.3
229.13411	1.3
240.46736	0.7
243.14937	6.5
245.16490	2.9
253.13412	1.9
254.11745	1.2
271.14423	22.2
287.05396	1.1
288.05908	1.0
289.15457	100.0
290.15756	4.3
305.05652	0.9
409.14807	0.7
451.20877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05497	0.6
65.71188	0.4
67.05496	3.3
69.07070	0.9
71.72771	0.7
75.43496	0.4
77.03900	0.6
79.05468	0.4
81.07067	1.7
83.04977	1.2
86.47006	0.3
91.05461	1.2
93.07034	0.9
95.04972	2.3
95.08565	0.7
103.05457	40.3
104.05771	0.6
105.04498	0.4
105.07027	1.3
107.08559	0.5
109.10150	6.1
117.06990	0.3
119.08582	0.4
121.06407	0.4
125.05991	0.8
131.04915	100.0
132.05287	1.9
133.10101	0.5
135.08055	0.5
141.06973	0.5
143.08467	0.5
167.07088	0.7
169.10129	0.5
177.26917	0.4
179.06999	2.3
181.08620	0.6
195.11739	0.4
237.16170	0.4
253.16168	0.5
303.19562	0.7
369.94778	0.5
419.54114	0.4
426.53262	0.4
433.23593	0.6
451.24435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.3
51.02374	0.5
55.01855	0.4
55.05493	1.1
69.03413	0.9
70.06579	0.6
71.70999	0.3
71.71414	0.3
74.46271	0.3
79.01843	5.0
79.05463	0.4
81.03387	0.3
81.07042	0.7
83.04955	1.4
85.02888	0.7
86.09703	0.3
91.05470	1.0
93.07029	0.5
95.08584	0.5
95.15209	0.3
97.02879	1.3
100.11213	0.4
107.01295	0.8
107.04966	0.7
107.08605	0.4
111.04408	1.8
119.04932	0.8
120.08057	0.4
121.06488	0.3
121.18848	0.3
123.00788	0.3
124.01289	0.4
125.02320	2.8
129.05511	0.4
137.05988	0.3
138.54666	0.3
139.03888	1.6
143.03383	7.8
145.06425	0.5
147.04395	2.8
151.03923	0.4
151.93323	0.3
153.01814	100.0
153.02733	4.0
154.02144	1.1
163.03947	0.8
175.03896	0.3
181.01257	0.5
189.05399	0.5
191.03439	0.7
207.02794	0.4
217.04941	0.5
217.12297	0.4
219.06454	0.5
221.04449	0.8
235.13568	0.3
236.13591	0.6
237.04095	0.3
245.04457	0.6
253.14311	0.4
263.05481	1.3
273.04471	0.3
275.08948	0.4
281.06519	0.7
287.05463	1.1
288.05887	0.4
289.06082	0.5
305.02921	0.8
319.04361	0.4
439.38348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0869
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
55.01860	0.3
57.03412	0.8
61.02916	2.0
65.03929	0.2
68.99778	1.7
69.03410	0.6
69.90434	1.1
69.90800	0.4
71.01334	0.6
73.02911	14.9
81.03426	0.2
81.49129	0.2
85.02876	0.4
87.81303	0.2
90.26620	0.2
92.97819	0.2
93.03394	0.2
97.02873	0.4
106.88277	0.2
107.01364	0.2
109.02870	1.2
111.00785	2.7
111.04411	0.4
115.03934	0.9
121.02874	0.3
125.02346	0.3
126.03093	0.3
127.03931	0.6
131.04807	0.2
137.02335	2.2
139.03893	0.4
147.04373	0.2
153.01811	12.2
165.01825	3.6
166.02589	0.6
171.04433	0.3
175.03879	0.3
177.05461	0.4
179.03378	1.6
183.02834	1.1
189.01837	0.2
189.05420	0.8
191.03406	0.5
193.01358	0.2
195.02875	0.8
199.03859	0.3
203.03407	0.5
204.35342	0.2
207.02905	0.4
217.04956	3.9
219.02823	0.5
221.04369	0.3
227.03400	0.5
229.04933	0.3
231.02930	0.4
233.04558	0.2
235.02220	0.3
235.06042	0.4
243.02750	0.4
244.03616	0.5
245.04468	5.0
246.04666	0.4
255.02794	0.9
259.02371	0.3
263.05542	1.0
273.03894	5.8
274.04227	0.3
290.04221	1.7
291.04529	0.2
292.11740	0.2
297.03885	0.4
301.03436	1.5
319.04459	100.0
320.04776	4.1
329.02896	1.1
331.04474	0.8
343.04547	0.7
369.06149	0.2
373.05414	0.6
385.05435	0.4
415.06522	0.2
451.08722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.5
57.03433	7.7
61.02908	2.3
68.99778	2.3
69.03417	0.7
70.96006	0.7
70.96342	1.0
73.02914	15.1
85.02895	0.5
85.47551	0.5
102.92810	0.6
109.02888	1.4
111.00816	2.3
113.55994	0.5
115.03923	1.0
120.08182	0.5
137.02315	2.9
138.36131	0.5
139.03902	0.5
145.45351	0.5
147.04460	0.6
153.00684	0.9
153.01826	12.5
156.11121	0.5
157.26831	0.5
163.03856	0.5
165.01807	4.5
165.08650	0.5
166.02588	0.9
175.03949	0.8
177.05484	0.5
178.05945	0.6
179.03410	1.6
183.02856	0.6
183.47557	0.5
189.05426	1.0
191.08185	0.7
195.02797	0.9
195.04436	0.6
199.04002	0.7
203.03290	0.9
217.04982	3.3
221.04399	0.8
233.04251	0.5
244.03880	0.6
245.04410	6.5
255.03021	0.6
263.05548	1.0
273.03998	5.1
287.05521	0.7
290.04251	1.7
301.03381	1.3
319.04474	100.0
320.04822	4.6
328.54037	0.6
361.05374	0.6
373.05396	0.6
451.17618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84611	0.3
53.00303	1.1
53.03929	0.3
56.05040	1.8
57.03431	0.5
65.03935	2.0
68.99788	2.0
69.03419	0.6
69.69606	0.3
70.06563	0.3
70.74312	0.8
74.06072	19.1
75.06390	0.3
79.05483	0.5
83.04987	0.3
84.04495	0.4
85.02914	1.4
89.03896	0.4
91.05487	1.9
93.03384	0.5
95.04934	0.4
97.02882	0.8
98.06040	1.0
98.20756	0.4
102.05524	3.5
105.03362	0.4
107.04934	0.6
111.00795	3.1
111.04449	0.8
116.07079	6.4
117.03346	0.4
120.06571	14.8
121.02850	2.3
121.06520	0.3
123.04444	1.7
124.07566	0.3
127.03909	1.7
133.02832	2.7
133.06450	0.5
135.04402	1.1
137.02371	0.4
137.05981	0.5
139.03889	100.0
140.04192	1.6
144.06543	5.3
145.02895	0.4
145.04945	0.7
149.05937	1.6
151.03897	5.1
156.10164	0.6
159.04369	0.4
161.05978	0.9
162.06219	0.4
162.07605	12.6
163.03893	13.5
169.04945	3.0
175.67390	0.3
177.05472	0.7
179.03410	0.4
179.07016	2.5
181.04951	1.2
197.06058	0.3
205.04953	4.9
207.09996	0.3
215.07161	0.4
231.06537	0.4
232.38994	0.3
253.10771	0.3
270.09851	0.4
271.05975	1.2
281.11777	0.3
287.05502	5.4
288.05826	12.0
289.07050	32.0
290.07404	1.3
293.78732	0.3
302.62967	0.3
312.10666	1.3
384.15378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.6
65.03941	2.3
67.05154	2.1
67.05503	36.9
69.07073	4.8
70.19283	6.0
70.19705	4.1
79.05486	9.9
81.07051	46.4
82.07355	2.1
83.08615	6.6
91.05476	16.7
91.90868	1.8
93.07042	11.2
95.08604	43.9
97.06531	2.8
97.10128	2.1
99.68022	1.8
105.06982	2.9
107.08578	7.1
108.16094	1.8
109.10148	24.3
111.08072	3.6
119.04939	20.8
119.08585	5.0
121.10123	7.0
123.11711	11.4
131.08531	2.4
133.10114	9.0
135.11691	12.1
137.09566	3.3
137.13271	4.4
147.04405	100.0
149.13239	6.6
151.11166	7.1
159.11626	2.3
165.05458	11.1
169.12271	3.5
181.12215	2.8
195.13727	2.6
215.18008	16.1
233.19026	12.5
234.26239	1.8
235.07060	2.0
251.20041	36.5
378.68509	2.4
450.29745	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01852	3.2
55.05506	22.9
57.03436	11.8
57.07058	2.8
65.03917	3.7
66.12298	1.0
67.05497	100.0
68.05825	1.2
69.06711	2.0
69.07061	26.7
69.54559	1.2
70.05256	2.3
70.05669	4.1
70.06560	1.3
71.01322	4.1
71.04990	6.5
71.08592	1.3
73.02903	1.4
79.05486	67.2
81.03426	6.9
81.07048	81.9
82.07356	1.2
83.04979	17.5
83.08609	15.6
85.06528	6.7
91.05469	34.5
93.07034	88.8
95.04975	12.4
95.08599	21.2
97.06515	20.1
97.10152	9.9
99.04432	1.9
99.08073	4.7
103.05450	2.0
105.04517	1.4
105.07023	10.4
107.04922	3.5
107.07851	2.8
107.08581	55.9
109.06477	3.9
109.10125	7.6
111.08094	6.3
111.11678	1.4
113.82597	1.2
117.06998	11.6
117.70068	1.1
119.08564	7.9
121.06487	2.2
121.10123	17.1
123.08028	1.2
123.11687	1.5
127.07556	1.6
129.06972	1.5
131.04890	3.4
131.08565	8.0
132.05247	2.9
133.10098	10.8
135.08014	2.2
135.11674	59.4
137.02303	2.5
137.09584	1.5
139.11168	1.6
143.08574	1.7
145.10114	9.7
147.04385	1.8
147.11620	1.4
149.13243	27.0
151.11107	1.8
153.12691	1.4
159.11676	12.0
163.11189	7.4
175.03877	1.9
177.12755	6.2
181.12233	8.7
193.04907	1.2
195.13791	12.1
196.06833	2.5
197.07074	1.9
213.05507	1.5
213.14862	1.6
214.07967	2.1
219.06410	2.9
220.06802	2.1
241.05002	1.4
256.26328	1.6
257.26587	1.7
287.05463	89.0
288.05814	9.3
300.13019	2.3
301.13327	2.5
357.23938	1.7
449.28934	66.5
450.29263	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	449.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01852	3.2
55.05506	22.9
57.03436	11.8
57.07058	2.8
65.03917	3.7
66.12298	1.0
67.05497	100.0
68.05825	1.2
69.06711	2.0
69.07061	26.7
69.54559	1.2
70.05256	2.3
70.05669	4.1
70.06560	1.3
71.01322	4.1
71.04990	6.5
71.08592	1.3
73.02903	1.4
79.05486	67.2
81.03426	6.9
81.07048	81.9
82.07356	1.2
83.04979	17.5
83.08609	15.6
85.06528	6.7
91.05469	34.5
93.07034	88.8
95.04975	12.4
95.08599	21.2
97.06515	20.1
97.10152	9.9
99.04432	1.9
99.08073	4.7
103.05450	2.0
105.04517	1.4
105.07023	10.4
107.04922	3.5
107.07851	2.8
107.08581	55.9
109.06477	3.9
109.10125	7.6
111.08094	6.3
111.11678	1.4
113.82597	1.2
117.06998	11.6
117.70068	1.1
119.08564	7.9
121.06487	2.2
121.10123	17.1
123.08028	1.2
123.11687	1.5
127.07556	1.6
129.06972	1.5
131.04890	3.4
131.08565	8.0
132.05247	2.9
133.10098	10.8
135.08014	2.2
135.11674	59.4
137.02303	2.5
137.09584	1.5
139.11168	1.6
143.08574	1.7
145.10114	9.7
147.04385	1.8
147.11620	1.4
149.13243	27.0
151.11107	1.8
153.12691	1.4
159.11676	12.0
163.11189	7.4
175.03877	1.9
177.12755	6.2
181.12233	8.7
193.04907	1.2
195.13791	12.1
196.06833	2.5
197.07074	1.9
213.05507	1.5
213.14862	1.6
214.07967	2.1
219.06410	2.9
220.06802	2.1
241.05002	1.4
256.26328	1.6
257.26587	1.7
287.05463	89.0
288.05814	9.3
300.13019	2.3
301.13327	2.5
357.23938	1.7
449.28934	66.5
450.29263	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	449.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.4
54.02834	1.1
55.01863	3.1
55.05507	25.2
57.03429	15.0
57.07065	3.3
65.03913	4.0
66.39024	1.3
67.05498	100.0
68.05811	1.9
69.03424	2.2
69.07063	31.5
71.01335	4.7
71.04980	9.3
79.05487	75.0
81.03419	8.1
81.07048	89.2
83.04971	16.7
83.08170	1.7
83.08609	13.1
85.06549	6.7
91.04266	1.4
91.05470	41.8
93.07034	95.8
95.04957	12.7
95.08597	22.2
97.06524	19.6
97.10156	13.1
98.20683	4.0
99.08080	4.1
105.04477	2.3
105.07011	11.7
107.04951	2.6
107.08582	53.8
109.06499	5.7
109.10154	6.4
111.08084	9.0
113.09695	1.4
117.07001	13.7
119.08562	9.6
121.06466	2.7
121.10125	23.7
123.11683	1.7
125.09630	2.4
129.06874	1.3
130.07794	2.0
131.08580	9.3
133.10112	11.9
135.08049	3.1
135.11681	64.1
136.12001	1.2
137.09590	2.0
145.10071	8.0
149.13243	34.1
149.14430	1.7
153.12715	3.5
159.11664	15.7
163.11116	7.1
165.12709	1.5
177.12738	7.7
181.12254	10.3
183.30405	1.3
194.19182	1.2
195.13791	13.7
199.13229	3.5
213.14824	3.2
225.99748	1.2
226.09633	1.4
229.56148	1.7
287.05457	5.5
295.99911	1.3
431.27798	1.6
449.28931	70.4
450.29630	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	449.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05833	1.1
53.03942	7.2
55.01860	4.4
55.05509	30.9
57.03432	12.4
57.07066	4.6
57.76181	1.1
61.59636	1.2
65.03934	4.7
65.13779	1.2
67.05499	100.0
68.85911	1.6
69.06693	1.7
69.07060	31.1
70.19752	6.1
71.01343	5.1
71.05000	7.3
79.05486	73.0
81.03421	7.6
81.07050	89.1
82.07372	2.5
83.04983	11.9
83.08610	15.2
85.02905	1.9
85.06538	6.0
91.05472	45.3
93.07038	94.6
94.07375	1.7
94.59829	1.2
95.04956	14.8
95.08598	23.6
97.05943	2.1
97.06518	22.3
97.10179	11.7
98.21416	1.5
99.04504	1.1
99.08080	3.7
103.05534	1.2
105.04531	2.1
105.07017	17.4
107.04956	2.9
107.08586	56.0
108.08878	1.2
109.06504	4.7
109.10142	10.0
111.08095	6.4
117.06994	14.3
119.08568	9.9
121.06497	3.1
121.10136	21.1
123.11685	3.3
127.07561	1.2
129.06987	2.4
131.08565	11.0
133.07530	1.2
133.10121	10.7
134.87079	1.3
135.08017	3.5
135.11682	57.1
137.02344	1.1
139.11249	1.5
143.08495	2.1
145.10124	10.5
147.04387	2.9
147.11646	3.3
149.09625	1.7
149.13248	35.9
153.12741	2.1
157.10063	1.5
157.19077	1.3
159.11719	12.9
163.11198	7.0
177.12762	5.9
181.12222	8.6
192.84904	1.2
193.04985	1.8
195.13777	15.1
196.68446	1.3
199.13287	2.3
213.14868	2.5
216.97639	1.2
251.19955	2.1
284.29471	1.2
287.05469	27.0
287.08685	1.4
288.05878	2.8
329.24655	1.6
339.23138	4.2
357.24127	5.6
358.99329	1.2
375.25266	4.1
431.27866	7.7
449.28970	72.1
450.29416	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01858	3.0
55.05503	30.9
57.03209	1.3
57.03433	15.3
57.07053	3.9
57.21096	1.4
62.45531	1.3
65.03926	4.6
67.05499	100.0
68.05832	1.8
69.03409	1.8
69.06699	2.0
69.07062	30.2
70.74876	3.1
70.75249	2.3
71.01331	5.0
71.04989	8.6
79.05486	76.8
80.05812	1.6
81.03413	9.7
81.07047	98.0
82.07394	1.4
82.78226	1.3
83.04961	15.0
83.08606	17.0
85.06533	8.0
91.05468	44.3
93.07034	96.4
95.04967	17.4
95.08102	1.9
95.08609	24.5
97.06522	19.8
97.10168	12.5
99.08071	5.1
100.20313	1.4
105.04517	2.8
105.07024	19.5
107.04968	3.4
107.08580	54.7
109.06509	6.4
109.10162	7.8
111.08051	8.7
117.07005	11.7
119.08567	13.7
121.06496	4.2
121.10133	22.0
123.08047	2.3
123.11667	4.2
125.09608	4.3
129.06970	3.5
130.07707	2.1
131.08554	9.8
133.10107	10.7
135.08104	2.2
135.11684	52.6
136.12068	1.5
137.02385	2.1
143.08566	1.5
145.10101	8.8
147.04468	2.2
147.11652	10.4
149.13243	28.3
153.12718	2.5
159.11670	12.1
163.11182	6.1
165.12706	3.3
170.54915	1.4
177.12744	7.4
181.10081	1.7
181.12224	9.5
188.65659	1.4
190.83264	1.5
195.13812	8.6
199.13248	2.1
213.14888	2.5
282.53683	1.5
287.05475	32.7
288.05948	2.4
303.05008	2.0
357.24112	3.7
375.25565	2.0
389.66791	1.5
395.15781	1.3
431.27658	5.1
448.95331	1.6
449.08524	2.5
449.28937	75.3
450.29419	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	449.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.0
53.03937	4.7
54.88371	1.1
55.01858	4.0
55.05507	21.4
57.03205	1.1
57.03433	13.7
57.07069	1.3
65.03929	3.2
65.95800	1.0
66.92445	1.0
67.05499	51.8
68.05791	1.0
69.03417	5.3
69.07061	15.5
71.04975	4.5
71.71736	1.4
79.05486	42.5
81.02948	2.1
81.03407	31.2
81.07050	74.6
82.07384	2.3
83.04971	10.8
83.08615	17.9
85.02901	18.5
85.06538	4.0
91.05471	47.5
93.07036	32.6
94.07373	1.8
95.04414	1.0
95.04958	25.3
95.08009	2.0
95.08600	27.6
96.84032	1.2
97.02857	1.5
97.06519	5.8
97.10152	8.3
99.08103	2.4
103.05466	3.4
105.07021	56.2
107.04934	8.8
107.08592	23.4
109.06502	7.0
109.10125	7.3
111.04465	1.4
111.08070	7.6
113.06033	1.4
115.05457	1.4
117.07020	8.4
119.04930	1.6
119.08570	32.4
121.06491	7.4
121.10137	13.5
123.08051	3.3
123.11707	4.0
125.09646	6.7
129.06992	8.7
131.04926	4.2
131.08559	10.8
133.06485	2.9
133.10109	7.6
135.08047	3.4
135.11688	4.1
137.02335	3.6
137.09631	1.5
141.06967	2.3
143.08583	4.4
145.10097	7.0
147.08029	2.9
147.11682	26.2
149.09624	4.8
151.11201	1.2
155.08553	3.2
157.10117	8.9
159.11696	3.6
161.09654	2.4
161.13304	1.6
163.11227	2.1
165.01852	1.4
165.12737	9.2
167.08661	1.2
169.10117	1.5
171.11731	5.9
173.13266	1.3
175.11221	7.1
181.10086	2.2
183.11624	2.2
185.13234	2.5
187.14859	2.9
189.09337	1.7
189.11234	6.1
189.12798	3.3
193.12244	29.1
197.13268	1.7
203.14291	1.3
205.15939	3.1
209.13280	1.7
211.13271	24.2
211.15114	1.2
212.13573	1.3
213.05484	2.2
221.15437	1.2
227.12720	2.5
231.13770	1.3
239.16461	2.3
249.14749	1.3
259.16843	1.5
267.15930	4.2
275.16360	1.4
285.16998	3.9
287.05472	100.0
288.05844	9.2
296.93527	1.1
303.04868	1.5
319.04340	1.2
321.22220	1.4
339.23105	7.8
357.24203	20.9
358.24490	1.7
375.25253	6.6
413.26776	1.8
431.27872	17.5
449.28970	52.3
450.29221	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
57.03437	3.4
68.99777	1.0
70.06606	0.6
71.02155	1.6
71.04986	0.9
73.02892	2.1
75.04477	15.9
85.02896	3.9
97.04585	0.5
120.70682	0.5
121.02892	1.0
123.04510	0.7
137.02327	4.0
145.06519	0.6
147.04451	0.8
149.02315	0.7
153.01816	3.4
165.01834	1.7
173.06030	0.8
185.05962	1.0
201.05527	0.8
213.05498	2.4
229.04970	3.4
241.04898	1.0
257.04312	1.6
274.04785	0.8
285.03891	1.1
287.05493	100.0
288.05768	4.6
303.04984	61.4
304.05301	2.5
317.06525	2.4
449.10425	1.2
463.74829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.67773	0.1
51.76596	0.2
55.01842	0.2
56.77496	0.1
68.99786	0.3
69.64227	1.2
69.64624	0.3
69.88286	0.1
80.42550	0.1
81.03413	0.2
105.07030	0.1
111.00834	0.2
115.05441	0.2
115.95950	0.2
121.02870	0.5
123.04337	0.2
137.02330	2.6
137.03343	0.3
143.04881	0.3
143.49908	0.2
145.06474	0.2
149.02309	0.4
157.06425	0.4
161.05933	0.4
162.12648	0.1
171.04387	0.3
175.03952	0.4
185.05890	0.7
189.05453	0.5
193.05054	0.2
199.03960	0.2
203.03247	0.2
213.05438	2.2
216.04155	0.4
231.06505	0.7
241.04982	1.5
242.05754	0.3
259.05853	0.2
269.04446	0.3
287.05469	100.0
288.05786	3.3
378.90692	0.2
449.10797	0.7
467.59073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03422	0.5
61.02621	0.6
61.02921	6.0
68.99796	1.0
69.03426	0.5
69.66162	3.3
73.02905	1.4
76.78535	0.4
79.05500	0.4
80.41000	0.4
85.02899	5.0
88.31001	0.4
91.03953	2.8
97.02886	2.7
98.21455	0.6
107.04979	0.4
109.02833	0.7
111.00838	0.8
121.02856	3.3
137.02321	1.0
145.04973	0.6
147.04466	0.5
153.01830	4.3
161.06075	0.5
165.01868	1.4
183.02882	1.2
200.53818	0.4
213.05435	1.6
215.72702	0.4
218.27995	0.5
231.06516	0.9
241.04935	1.2
249.84810	0.4
258.05176	1.3
259.06067	0.5
267.72015	0.4
287.05487	100.0
288.05829	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	449.1073
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
54.34330	1.5
57.03426	2.3
68.46585	1.4
70.89774	3.6
71.04612	2.6
71.04985	22.7
79.21790	1.5
85.02892	24.8
106.47737	1.5
111.04420	1.3
121.02831	1.4
129.05458	3.4
137.02368	3.4
145.30849	1.3
147.06517	1.4
153.01820	3.8
191.84436	1.4
227.80849	1.5
229.04961	3.5
257.04486	2.0
277.56436	1.9
285.03784	1.5
287.05475	5.4
303.04965	100.0
304.05273	3.8
313.25912	1.5
315.05072	2.6
413.08557	1.6
431.09885	1.4
474.81531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Quercetin-7-O-rhamnoside
Peak:m/z	Relative Intensity
55.01861	0.1
68.99789	0.3
70.66653	0.4
71.04967	0.2
85.02900	0.2
93.84603	0.1
100.52260	0.1
108.34036	0.1
109.02840	0.4
111.00817	0.1
115.05435	0.3
121.02843	0.3
125.02335	0.2
125.29400	0.1
127.27084	0.1
131.04898	0.2
135.04427	0.1
137.02299	0.2
139.03859	0.2
142.34196	0.1
143.03395	0.2
145.06464	0.4
149.02357	0.6
149.06042	0.1
150.03114	0.8
153.01791	1.9
155.04909	0.3
157.06453	0.2
159.04402	0.3
161.05960	0.2
163.03912	0.4
165.01823	0.5
171.04385	0.2
173.02449	0.2
173.05977	0.6
175.03902	0.1
177.05414	0.2
179.03389	0.4
183.04402	0.4
187.03889	0.3
191.03413	0.7
191.06964	0.1
192.04181	0.1
195.79996	0.1
201.05428	1.3
205.04980	0.4
211.04016	0.1
213.05446	0.3
215.03387	0.2
218.05832	0.1
219.06439	0.2
229.04932	4.5
230.05432	0.2
247.05989	0.5
257.04419	3.8
258.05029	0.2
273.03622	0.1
274.04736	0.1
275.05365	0.1
285.03943	0.4
286.04669	0.1
287.05536	0.6
303.04950	100.0
304.05304	3.7
413.07666	0.1
420.11850	0.1
431.08847	0.2
449.10263	0.2
471.92587	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
57.06634	2.5
58.58271	2.6
61.01905	3.1
67.05501	3.7
69.03429	5.5
69.07053	7.5
70.62408	11.6
71.04984	13.0
73.02901	3.7
75.90296	2.9
79.05476	11.8
81.07040	8.6
83.04960	7.9
85.02898	21.5
91.05454	4.1
93.07019	12.5
95.04950	4.5
95.08595	5.3
97.02902	4.9
97.06509	11.5
99.04399	4.8
100.71614	3.1
101.88592	2.9
105.07019	15.9
107.04922	6.7
107.08575	11.9
109.06527	4.8
117.07021	3.4
119.04926	5.4
119.08554	8.5
121.06488	12.6
125.05975	14.7
131.08531	3.8
135.08087	5.5
135.11684	8.9
137.05943	7.2
139.03838	3.8
139.07477	5.1
143.07034	8.6
145.06528	3.9
145.10132	26.1
147.11673	4.3
159.07980	3.9
159.11664	9.4
163.09793	5.6
163.11176	100.0
165.01808	5.4
169.10165	3.8
173.09601	32.2
181.12241	8.8
187.11140	16.8
189.12828	3.4
191.10689	21.4
205.12259	15.2
214.30040	3.3
215.10707	16.3
227.12741	13.4
229.05013	4.0
233.11697	68.4
251.12784	21.0
269.13824	10.4
287.05472	86.6
287.61569	3.0
303.01865	5.2
303.04968	53.1
304.05261	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	449.1075
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
54.71456	0.1
55.01852	0.2
63.89460	0.2
68.99784	0.3
70.06557	0.3
70.86267	0.2
71.00652	0.2
71.00982	0.4
84.04478	0.2
91.05399	0.2
103.34978	0.1
115.05466	0.2
121.02872	0.4
123.04435	0.2
133.06570	0.2
137.02344	2.2
137.03336	0.2
137.05884	0.3
137.30075	0.2
137.37544	0.1
139.03853	0.8
147.04433	0.4
149.02315	0.5
150.03134	0.2
155.07034	0.2
156.27556	0.1
157.06473	0.5
161.05963	0.3
163.07639	0.2
165.01886	0.2
167.04942	0.2
171.04472	0.3
175.03880	0.3
175.07520	0.2
177.01787	0.2
185.05984	0.7
189.05484	0.5
203.07039	0.2
213.05460	2.0
216.04190	0.3
219.79510	0.1
230.06001	0.1
231.06422	0.8
241.04852	1.0
242.05589	0.3
244.92981	0.2
259.06110	0.4
259.11096	0.3
267.09897	0.2
269.04330	0.6
269.12885	0.2
287.05469	100.0
288.05817	3.5
299.05457	0.4
303.04919	0.3
449.10840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.05486	5.7
61.02920	4.3
64.16681	2.8
67.05498	4.3
69.03419	5.9
69.07070	15.7
71.04990	12.3
71.10815	4.5
71.11163	6.1
73.02898	9.5
79.05489	13.8
81.03383	3.4
81.07050	11.5
83.04968	8.3
85.02925	17.4
85.06512	6.1
86.09721	2.9
91.05487	11.3
93.07035	27.7
94.59853	2.7
95.04965	9.8
95.08630	4.4
97.06533	42.4
99.04428	23.5
105.07030	34.7
107.04949	12.6
107.08577	36.6
109.06528	9.6
111.66165	2.6
115.07538	4.2
117.07028	6.5
119.04937	9.2
119.08567	7.6
121.06508	24.6
121.10124	17.0
122.02702	9.4
122.03555	2.5
123.08062	5.9
125.05973	27.2
125.59217	2.9
127.07519	2.7
129.06966	5.6
130.07799	4.9
131.04922	6.3
131.08562	16.6
132.01154	8.4
133.06485	6.8
133.10132	5.0
135.08052	10.2
135.11705	3.3
137.02319	6.7
137.05966	38.1
139.03911	13.6
139.07484	3.3
140.04150	2.7
141.06950	3.0
143.07025	52.7
143.08600	5.6
145.06503	4.5
145.10110	77.3
147.11713	4.3
151.07530	4.5
153.01852	6.7
155.07028	4.4
155.08548	4.6
158.07320	4.6
159.08000	6.2
159.11685	23.4
161.13261	3.2
163.03879	3.7
163.07498	18.7
163.11174	78.1
166.37224	3.2
169.10124	9.6
173.09616	42.7
177.05563	4.3
177.12743	5.5
181.12267	20.7
183.49374	2.9
187.11171	48.5
191.10661	46.4
195.04774	4.7
197.09659	6.5
205.12230	67.5
209.11703	7.6
215.10698	39.5
223.13278	4.3
229.04977	5.0
233.11707	85.3
248.67088	2.9
251.12773	56.3
257.04675	3.2
269.13913	21.5
287.05472	100.0
303.05005	43.6
304.05313	45.2
309.07367	4.5
332.04813	6.3
412.23712	3.3
430.09442	3.8
448.09305	3.4
473.14334	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	447.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13985	2.6
55.05511	18.9
55.98042	2.4
57.07075	33.3
59.35986	2.4
67.05503	14.8
69.07063	45.1
71.08614	22.4
71.15539	2.6
71.71700	5.8
79.05481	4.0
81.07048	11.0
83.08618	27.1
85.10168	11.4
91.05445	5.0
93.07024	10.1
95.08614	28.8
97.10155	15.5
97.99207	2.7
105.06976	2.9
107.08595	11.0
109.10151	13.1
111.08083	3.8
111.11712	13.0
119.08571	8.0
121.10151	13.5
123.08076	17.1
123.11723	8.4
125.09602	3.9
125.13261	5.8
133.06461	4.6
133.10197	3.3
135.11658	3.8
137.09619	38.2
139.07565	8.6
141.09120	4.6
149.02348	4.6
149.09633	8.7
151.07555	12.7
163.11169	3.0
169.08591	100.0
170.08994	3.5
175.14909	3.1
181.08617	5.1
219.13828	3.9
262.21255	2.8
293.21088	3.6
307.22375	4.7
321.24045	6.2
349.27448	3.9
363.28937	3.8
391.31918	4.2
401.37701	12.1
403.39380	5.8
429.37125	7.6
447.38373	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	447.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.7
55.01858	7.8
55.05503	26.0
57.03424	11.5
64.75965	1.7
65.03931	3.7
67.05501	75.3
69.03419	4.0
69.07062	17.7
71.01331	3.9
71.04982	5.3
79.05490	71.4
81.03413	92.1
81.07050	39.4
83.04967	14.1
83.08622	27.2
85.06527	5.9
91.03978	2.2
91.05474	55.3
93.07038	58.8
95.04346	2.5
95.04962	51.7
95.08593	17.1
96.48004	1.9
97.02888	1.9
97.06541	14.0
97.07082	3.0
97.10159	18.4
105.07021	32.7
107.04937	15.2
107.08596	32.2
109.06501	7.8
109.10162	10.0
109.53101	2.0
111.08078	11.0
113.68603	2.2
115.05472	2.6
117.07007	16.6
119.04944	2.8
119.08569	26.8
121.06464	9.7
121.10134	13.6
123.08063	5.8
125.09642	7.5
129.07019	16.9
131.04967	2.0
131.08582	18.1
133.06477	8.1
133.10132	11.8
135.08037	5.7
135.11684	44.8
137.09630	5.9
141.06993	4.0
142.07726	3.3
143.08525	9.9
145.06468	10.6
145.10143	16.2
147.08063	6.3
147.11682	10.2
149.09602	9.5
155.08572	3.7
157.10120	16.7
159.08052	3.9
159.11722	6.5
161.09610	4.0
163.11186	11.4
169.10138	2.8
171.08116	2.3
171.11749	4.3
173.09746	2.1
175.11157	13.2
177.12773	3.0
181.12181	6.3
183.11707	3.1
185.09575	3.6
185.13243	5.5
187.11127	2.5
189.11200	4.7
193.12227	32.0
201.12787	2.4
203.10608	2.1
203.14377	7.6
205.12317	2.1
211.13098	2.5
213.12836	2.5
225.12817	2.2
227.12686	2.5
231.13799	3.4
243.13635	1.9
245.15472	2.0
249.14845	3.0
257.15369	2.2
286.10852	1.9
319.20016	2.0
327.23053	2.3
329.21143	8.4
337.21616	10.4
355.22647	20.9
373.24008	9.7
403.24820	10.1
411.25360	2.6
429.26526	16.9
447.27417	100.0
448.27707	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	447.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01855	4.8
55.05503	22.4
57.03428	8.8
57.07051	1.9
61.02901	1.8
65.03934	2.3
65.52420	1.4
67.05148	3.1
67.05497	51.5
68.05811	1.5
69.03397	3.7
69.07059	13.4
70.09199	7.7
71.01337	3.7
71.04972	6.4
71.58220	1.2
73.02876	1.3
79.05029	2.5
79.05484	48.9
81.03410	70.6
81.07047	34.3
83.04976	9.0
83.08609	18.9
85.02870	3.3
85.06525	3.8
91.04930	2.4
91.05466	37.0
93.07035	48.7
95.04959	44.4
95.05438	0.9
95.08595	16.2
97.02887	3.1
97.06528	11.3
97.10162	11.9
99.08054	2.4
103.05509	1.9
105.07023	28.3
105.07721	1.7
106.11616	1.4
107.04955	14.7
107.08578	26.7
109.06502	6.4
109.10139	7.1
111.08077	7.4
115.05419	3.4
117.07018	13.9
119.04996	2.4
119.08554	17.4
121.06509	10.9
121.10133	10.8
123.08050	4.2
125.09621	6.4
128.06207	3.1
129.06989	12.1
131.04926	2.0
131.08556	13.1
133.06511	4.4
133.10132	10.1
135.08037	5.1
135.11678	32.4
137.09596	3.0
138.86368	1.3
141.06995	3.4
142.07777	2.6
143.08559	7.8
145.06441	6.3
145.10117	12.5
147.08005	7.5
147.11665	5.2
149.09616	5.1
155.08563	4.0
157.06491	2.2
157.10103	10.2
159.08044	3.0
159.11687	4.0
161.09644	3.4
163.11159	8.3
168.09364	1.6
169.10144	2.7
171.08145	2.6
171.11693	2.1
173.09679	2.3
175.11134	9.0
175.14909	1.7
181.10170	2.4
181.12192	5.2
183.11682	3.4
185.13258	6.1
187.11136	1.6
189.11179	5.8
189.12761	1.9
193.12202	25.9
199.13179	2.1
203.10655	2.2
203.14290	5.1
205.12244	1.8
213.12643	1.9
227.12688	2.3
231.13670	1.7
249.14790	3.2
257.15436	2.1
261.15149	1.6
278.07315	1.5
311.20038	2.5
327.23260	3.4
329.21149	12.7
337.21716	7.0
347.22150	5.3
355.22638	16.3
373.23795	8.6
385.23679	2.1
403.24765	10.3
429.26294	11.6
447.27374	100.0
448.27887	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	447.2738
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
55.05503	23.0
57.03423	23.2
57.07068	7.3
67.05502	42.9
69.07063	30.5
69.96256	21.1
69.96671	10.5
74.10209	4.5
79.05473	27.0
81.03402	8.8
81.07049	75.7
83.01354	7.3
83.08629	27.6
91.05476	35.9
93.07033	31.3
95.04995	11.5
95.08608	62.7
97.10172	10.1
98.21481	5.5
98.98471	20.5
105.07043	39.6
107.08573	23.6
109.06502	7.4
109.10136	33.8
117.07027	15.4
119.04953	22.8
119.08569	31.7
121.10130	29.3
123.04425	5.1
123.11689	13.1
127.07511	5.4
131.04933	23.8
131.08545	32.0
133.10124	27.7
135.08066	5.6
135.11699	29.0
137.00003	20.5
137.09639	6.3
137.13252	6.1
143.08560	7.2
144.09386	5.0
145.10126	65.5
147.04407	78.7
147.11679	14.3
149.02330	8.7
149.13219	10.0
151.07564	15.8
151.11177	9.9
153.05630	5.3
155.01025	20.8
157.10149	9.4
159.11684	64.0
161.13266	5.1
163.11211	7.1
165.05533	12.1
165.09100	5.1
169.08589	48.4
173.13269	12.2
174.00133	5.2
175.14799	6.4
185.13292	7.6
187.14827	6.1
189.16351	7.4
195.06456	38.2
201.16402	100.0
211.09651	45.5
213.07622	17.7
215.17969	23.4
219.17404	26.3
223.90933	5.7
233.18976	11.3
251.20027	13.1
261.18570	19.7
263.34912	6.0
299.12729	12.5
311.25769	21.1
370.56863	5.8
393.24146	23.3
411.25369	42.7
429.26263	23.0
447.19702	5.2
447.27377	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.5
54.70313	2.2
55.01865	11.8
55.05505	23.9
56.31280	2.2
57.03438	33.8
61.02924	75.2
65.03926	2.2
67.05499	32.8
69.03426	37.6
69.07062	9.7
69.69865	8.5
69.70299	10.6
71.01358	6.2
71.04977	9.4
73.02910	33.7
75.04510	2.8
75.78603	2.6
79.05491	38.7
81.03413	97.0
81.07053	37.5
81.32549	2.5
83.01378	2.9
83.04978	28.0
83.08623	25.3
85.02904	100.0
85.03416	5.5
85.06534	3.1
86.09708	2.7
87.04471	5.0
91.03954	40.5
91.05464	59.9
93.07047	30.0
95.04967	33.5
95.08594	15.0
95.79009	2.4
97.02887	68.3
97.06526	8.4
97.10147	4.1
99.04472	14.7
101.02361	16.2
103.03929	6.5
105.07020	33.0
107.04964	17.5
107.08588	12.0
109.02886	16.4
109.06519	9.1
109.10162	5.5
111.04435	5.0
111.08073	14.2
113.06000	4.8
115.03958	6.0
117.07028	4.1
119.08575	26.9
120.08115	3.0
121.06523	4.2
121.10168	14.0
123.08080	3.0
127.03922	29.8
129.05484	7.7
129.07001	16.2
131.08556	21.4
133.06506	6.0
133.10107	34.3
137.05942	4.4
139.03896	12.8
142.07744	4.4
145.04965	10.1
145.10098	3.3
147.08025	6.1
147.11674	30.0
149.02342	9.7
149.09601	12.0
157.10136	23.9
163.11211	2.8
165.12791	6.7
167.03485	2.5
175.11166	31.9
183.06544	5.5
193.12234	95.8
201.07669	3.5
211.13293	94.7
212.13429	2.5
267.15854	17.7
285.16949	82.9
286.17297	2.5
319.04379	2.5
328.75891	2.6
331.04498	9.0
343.04568	3.0
361.02548	4.3
385.05338	3.3
411.20288	3.3
447.07782	4.1
447.22623	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	447.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01857	2.7
55.05508	5.8
57.03433	9.5
58.17198	0.7
61.02620	1.5
61.02921	23.1
65.03927	0.9
67.05494	12.1
69.03426	11.3
69.07063	6.8
71.01340	1.8
71.04984	3.8
71.71180	1.0
73.02911	22.4
73.04720	0.8
79.05486	8.1
81.03413	9.6
81.07048	39.3
82.30080	0.7
83.04975	3.5
83.08609	3.3
85.02898	24.4
85.06532	2.7
86.09704	0.9
87.04438	2.1
87.62370	0.7
91.03946	14.3
91.05445	10.7
93.07037	7.7
95.04958	2.1
95.08603	8.5
97.02886	17.7
97.06501	3.4
99.04431	6.5
99.08092	2.2
101.02393	4.7
103.03951	2.5
105.07021	18.3
107.04916	1.7
107.08581	6.2
107.14761	0.8
108.46556	0.7
109.02863	5.1
109.06499	2.6
109.10148	1.0
111.00797	0.9
111.04424	1.0
115.03894	1.9
117.05481	0.9
117.07001	1.2
119.08562	14.5
121.02820	1.9
121.10124	12.5
123.08028	2.0
123.11700	15.4
127.03910	11.6
127.07587	1.5
129.05482	1.0
129.07074	0.8
131.08458	1.0
137.02345	4.1
137.05971	1.7
137.13206	1.3
141.09102	1.4
145.04922	3.3
145.10097	1.6
147.11671	41.7
149.02325	3.3
153.01804	5.8
157.10114	1.5
163.03909	1.4
165.01830	2.6
165.12740	26.9
167.03598	0.8
167.05424	0.9
175.11163	1.6
181.12109	0.8
183.06514	2.3
183.13748	6.4
193.12256	2.7
201.05414	2.2
201.07578	2.0
229.05000	4.4
229.14352	11.1
257.04425	2.8
267.15897	12.5
285.03900	1.3
285.16943	28.4
301.07141	2.6
303.04962	100.0
304.05267	7.5
309.17041	1.8
310.17596	0.8
313.16428	2.2
327.17868	1.7
360.60999	0.9
377.02148	0.8
393.18787	1.0
411.19962	1.6
429.20999	2.4
447.22357	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	447.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.03946	0.6
55.01862	0.4
55.05502	0.8
65.03884	0.2
67.05492	1.8
69.07060	0.8
71.04963	0.3
77.03916	0.2
77.69386	0.2
78.18448	0.2
79.05481	2.8
81.03413	2.5
81.07055	5.7
83.01336	3.3
83.04966	1.1
83.08611	0.7
91.05473	2.4
93.07032	2.1
95.04956	2.3
95.08582	0.6
97.06520	0.9
97.10171	0.6
102.04634	0.3
103.05459	30.4
104.05807	0.6
105.03358	0.2
105.04465	0.3
105.06030	0.2
105.07031	1.6
107.04933	0.6
107.08596	1.1
109.06490	1.4
109.10149	0.3
111.00624	0.2
111.04445	0.6
111.08082	0.3
115.05428	1.3
117.07008	0.7
119.04945	0.4
119.08576	0.6
120.57394	0.2
121.06493	0.6
121.10129	0.6
122.06632	0.2
123.08102	0.4
125.05981	1.4
125.09699	0.3
127.07552	3.8
128.06166	0.2
129.06967	0.8
131.04916	100.0
132.05246	2.5
132.08896	0.2
133.06488	0.4
133.10141	0.5
135.04395	0.3
135.11690	1.4
141.06958	0.3
142.07785	0.2
143.08536	0.5
144.08095	0.3
145.06441	0.3
145.10143	0.3
147.08076	0.4
147.11603	0.4
149.05927	1.2
149.09589	0.4
152.04677	1.0
153.05453	0.9
155.08585	0.3
157.10188	0.3
167.06987	0.5
169.08633	1.4
175.11159	0.4
177.05455	0.8
181.04932	0.5
186.24329	0.2
189.23346	0.2
191.08606	0.5
193.10043	0.5
193.12201	0.8
195.06514	17.4
196.06721	0.4
213.07567	4.9
213.09470	0.4
219.07997	1.2
280.40863	0.2
285.11212	0.3
291.80380	0.2
299.12756	7.1
323.39236	0.3
329.21121	0.3
337.21362	0.3
355.22345	0.6
403.25055	0.3
429.16821	0.8
429.25967	0.3
447.26968	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	447.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11502	0.5
53.03941	1.3
55.05493	1.4
57.03439	0.7
67.01854	0.4
67.05502	2.6
68.99770	1.1
69.07043	1.1
69.49000	4.3
79.05489	4.7
81.03407	2.0
81.07047	25.5
82.07354	0.4
83.01332	16.3
83.04974	3.9
83.08582	1.0
84.01641	0.5
91.05453	3.6
92.88229	0.5
93.07027	4.2
95.04979	2.9
95.08602	1.2
97.06531	2.9
97.10153	0.7
99.08081	1.2
103.05460	19.8
104.05785	0.5
105.03409	0.6
105.07013	2.4
107.04942	1.3
107.08562	1.1
109.05775	0.6
109.06504	7.5
109.10113	0.8
111.04443	2.2
111.05099	0.4
115.05463	1.0
117.07006	0.7
119.08540	1.5
121.06490	1.2
121.10125	0.8
125.05973	6.3
125.09647	0.8
127.06582	0.9
127.07541	17.7
129.06976	1.5
131.04915	71.7
131.08563	1.4
132.05223	1.5
133.10109	0.9
135.11633	1.0
145.06441	0.6
145.10115	1.0
149.05957	5.0
150.06339	0.5
151.07527	1.2
152.04684	5.7
153.05450	5.1
157.10095	0.7
167.03383	0.8
167.07033	3.1
169.08615	3.5
177.05432	5.7
178.07765	0.7
185.13261	0.6
191.08531	2.6
193.10156	1.8
193.12234	1.2
195.06512	100.0
196.06824	2.7
197.49782	0.5
207.11674	0.6
213.07562	33.3
215.08604	0.5
215.10495	0.5
219.08018	6.5
237.07527	0.6
257.11688	1.1
261.09106	1.0
299.12753	63.5
300.13043	3.3
355.22501	0.9
410.46399	0.5
411.15689	0.6
429.16986	0.9
447.27600	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.7
53.03930	0.9
56.62129	0.6
67.05494	1.2
67.42564	0.5
68.99760	0.9
69.03410	0.5
70.25780	2.8
71.08589	0.5
78.05769	0.6
79.05482	4.0
81.03394	0.9
81.07048	22.7
83.00865	1.1
83.01337	17.9
83.04969	3.7
86.33762	0.7
91.05476	2.5
93.07018	2.0
95.04951	1.4
95.08605	0.6
97.06506	2.1
99.08108	0.9
103.05456	23.4
103.36332	0.7
105.03355	0.6
105.06962	0.9
107.04925	0.9
107.08515	0.7
109.06498	7.4
111.04402	1.6
115.05409	1.3
121.06497	1.5
125.06010	6.3
126.66460	0.5
127.07541	18.4
129.79195	0.6
131.04916	73.1
132.05267	1.3
135.05472	0.6
135.11646	0.6
137.51762	0.5
149.02322	1.0
149.05974	5.6
151.07491	1.4
152.04678	4.8
153.05458	4.7
167.07005	2.5
169.08575	3.4
177.05464	5.3
191.08530	2.4
193.10121	1.3
195.06517	100.0
196.06880	1.8
205.54604	0.7
205.60841	0.6
209.69383	0.5
213.07568	35.0
214.07924	1.2
219.08041	5.7
228.65308	0.5
245.26671	0.6
257.11746	2.0
261.09113	0.9
281.11627	0.8
281.39548	0.6
299.12759	71.5
300.13095	2.6
385.45871	0.6
387.16068	0.7
400.09967	0.6
411.16061	0.8
429.16785	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
52.34896	0.4
53.03935	1.1
53.43861	0.3
55.05505	0.6
57.03416	0.4
57.26870	0.3
65.74473	0.3
67.05492	0.7
68.99784	1.0
69.03432	0.6
69.07056	1.0
69.36526	0.3
70.60059	0.8
70.60428	0.8
77.03917	0.4
79.05490	3.1
81.07053	23.7
82.07396	0.6
83.01337	18.2
83.04978	3.2
83.48760	0.3
89.82446	0.4
91.05466	2.0
93.07053	2.0
95.04957	1.2
97.06535	2.5
98.20763	0.4
99.08084	1.2
102.22094	0.5
103.05463	23.3
104.05795	0.4
105.03422	0.4
105.06991	0.5
107.04949	0.7
109.06513	8.9
111.04429	2.0
111.70438	0.4
115.05485	1.2
117.07027	0.4
121.06490	1.1
123.08049	0.5
125.05982	8.2
127.07553	19.1
129.07001	0.5
130.50816	0.4
131.04922	70.9
132.05267	1.2
139.07550	0.6
149.05974	5.8
150.06404	0.4
151.03940	0.7
151.07561	1.2
152.04686	5.5
152.45757	0.4
153.05457	5.6
167.07079	3.3
169.08586	3.4
177.05466	6.0
183.73978	0.4
191.07054	0.4
191.08580	2.4
193.10088	0.9
195.06523	100.0
196.06934	2.0
213.07576	34.6
214.07991	0.8
214.09912	0.4
215.08513	0.4
215.10713	0.3
217.93111	0.4
219.08058	5.6
257.11710	1.1
261.09131	0.7
299.12772	62.4
300.13080	2.8
325.10419	0.4
351.10471	0.4
383.15512	0.4
387.15985	0.6
411.16083	0.6
429.16763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27065	0.4
51.02371	0.4
53.03939	1.5
55.01866	0.6
55.05484	1.4
57.03427	0.7
61.25929	0.4
67.05500	1.7
68.99774	0.8
69.03411	0.5
69.07057	1.2
69.39219	4.0
69.39625	1.0
71.18586	0.5
77.03887	0.5
77.70614	0.5
79.05492	4.7
81.03406	2.1
81.07050	24.9
83.01335	18.4
83.04984	3.5
91.05465	3.7
93.07026	2.4
94.60535	0.4
95.04951	2.2
95.08622	0.7
97.06520	2.5
98.21473	0.9
99.08086	1.6
103.04762	1.0
103.05457	21.8
105.03416	0.7
105.07027	1.8
107.04966	1.1
107.08569	1.0
109.06507	8.4
111.04441	1.6
115.05415	1.2
119.08551	0.7
121.06518	0.9
122.53731	0.5
125.05975	7.7
127.07544	19.9
129.06981	0.9
129.41632	0.5
131.04918	73.3
132.05260	0.9
135.11673	1.0
149.05965	6.2
151.07509	1.2
152.04663	5.3
153.05438	5.1
167.07034	2.4
169.08560	3.8
177.05489	5.2
189.11165	0.5
191.08563	3.1
193.10095	1.5
195.06516	100.0
196.06897	2.4
213.07567	33.8
214.07921	0.9
215.10669	0.8
219.08058	6.5
221.95132	0.5
237.05058	0.4
239.10550	0.6
257.11658	1.4
261.09140	1.1
299.12756	61.3
300.13022	2.1
417.54007	0.5
429.16718	1.1
447.17346	0.5
447.26996	2.3
469.26968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01853	0.6
55.05496	0.5
60.58675	0.4
63.25244	0.4
65.03924	0.4
67.05493	0.8
68.99770	1.1
70.06591	0.5
71.04977	0.8
71.23660	0.8
72.04499	0.5
73.02911	13.6
78.03770	1.0
79.05463	0.9
81.03394	0.9
81.07038	1.0
85.02885	1.4
87.04430	0.8
91.05817	0.4
93.07011	0.7
95.04942	0.7
95.08592	0.5
102.03768	2.1
105.07006	0.7
107.04946	23.7
109.02860	0.6
111.00782	1.3
121.02820	0.9
121.10095	0.4
123.04377	0.4
131.06364	1.0
132.04776	0.8
137.02313	3.5
137.05908	0.4
148.01523	0.4
149.02345	2.4
149.07420	7.1
153.01828	4.6
155.04849	0.5
163.03922	1.0
165.01802	2.1
166.43001	0.4
183.02925	0.9
187.03925	0.6
191.06847	0.5
193.04990	0.8
195.02765	0.4
201.05453	2.5
219.06602	0.6
229.04958	5.5
246.33080	0.4
247.05933	0.7
257.04413	4.0
274.04568	0.6
285.03882	1.6
285.06693	0.4
299.09192	2.4
303.04974	100.0
304.05347	2.8
306.43704	0.4
376.44482	0.5
447.16309	0.7
471.03970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29072	1.0
52.42135	0.9
53.03927	4.8
55.01863	5.2
55.05507	17.3
57.03411	3.3
57.07071	2.1
57.81860	1.1
63.71660	1.0
64.66324	1.2
65.03925	3.4
67.05155	2.4
67.05502	46.8
69.03431	1.3
69.06741	1.3
69.07063	13.0
70.32426	2.7
70.32827	2.2
71.04989	3.1
77.03904	1.3
79.05034	2.3
79.05486	38.4
81.07049	39.1
83.04985	1.4
83.08593	5.0
85.06525	2.8
86.62919	1.1
91.05468	48.4
93.07039	35.3
95.04967	7.9
95.08601	23.2
97.06522	4.3
97.10140	3.5
101.89649	1.1
103.05468	2.2
105.04495	2.3
105.07025	45.1
105.07741	2.2
107.04932	3.4
107.08592	16.2
109.06490	4.2
109.10148	9.6
111.08077	1.3
115.05453	3.7
117.07018	25.7
118.28500	1.2
119.08572	30.3
121.06495	4.7
121.10134	9.7
122.60645	1.0
123.08029	3.1
125.09632	1.5
128.06213	4.5
129.06111	1.6
129.07002	20.4
131.08553	43.4
132.08881	1.3
133.06479	2.3
133.10121	14.5
135.08029	5.1
135.11665	4.3
137.09575	1.9
141.07024	6.0
142.07742	2.3
143.08556	16.9
144.09337	1.7
145.06467	4.6
145.10110	23.1
147.04401	3.6
147.08022	3.0
147.11670	4.1
149.09598	3.3
149.13223	1.5
153.07031	1.2
155.08525	8.3
157.10110	11.9
159.07983	2.5
159.11664	8.5
161.09651	2.6
161.13286	2.5
163.11197	1.8
165.05513	1.4
167.08540	3.6
169.10121	9.1
171.11710	7.0
173.09601	2.6
173.13297	4.0
175.14774	1.7
177.12750	2.1
179.08592	1.4
181.10150	3.6
183.11736	5.6
185.13248	5.9
187.14799	3.4
189.16380	1.2
195.11674	3.1
197.13275	5.6
199.14781	2.3
201.12741	1.6
201.16389	1.4
209.13281	3.5
211.14703	5.9
213.12758	1.1
213.16307	3.0
217.15642	1.5
223.14873	3.9
227.14362	2.2
229.15839	1.5
233.15453	2.4
241.15907	1.8
247.06718	1.2
247.16995	2.7
255.17316	1.5
259.16846	2.1
261.18475	2.1
269.19080	1.4
271.17041	1.8
311.19812	1.1
316.70563	1.0
325.25253	3.5
333.20285	1.1
335.23642	5.3
343.26413	5.1
347.22287	1.2
353.24701	19.7
359.03201	1.2
371.25809	20.3
372.26257	1.2
389.26837	16.1
427.28549	4.1
445.29489	100.0
446.29807	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	445.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
53.03931	3.1
55.01865	2.9
55.05510	15.4
57.03422	2.4
65.03915	2.1
66.31672	0.7
67.05150	1.8
67.05502	35.3
69.03419	1.4
69.07057	10.1
70.43728	0.8
71.04980	2.7
78.62889	0.9
79.05489	32.4
81.03396	1.4
81.07051	33.9
83.04962	3.8
83.08617	6.7
83.10679	0.8
85.06538	1.6
91.05476	46.8
93.07040	30.7
95.04962	8.5
95.08016	1.8
95.08598	21.6
97.06544	2.9
97.10148	3.2
98.21503	1.7
99.08067	1.1
103.05472	3.2
105.07024	43.8
107.04954	3.9
107.08585	14.1
109.06519	4.8
109.10163	9.4
111.08099	1.4
115.05457	2.7
117.07017	23.5
119.04923	0.9
119.08579	27.2
121.06496	3.8
121.10151	9.8
123.08105	1.7
128.06194	3.6
129.07001	16.1
131.04913	2.7
131.08559	41.2
133.06508	2.7
133.10130	15.3
135.08041	2.9
135.11679	4.2
137.09642	2.0
141.06999	4.4
142.07733	2.2
143.08565	15.8
144.09270	0.9
145.06511	2.2
145.10103	22.8
147.08049	3.7
147.11690	5.4
149.09647	3.0
149.13231	1.3
151.11174	1.1
153.07031	1.4
155.08519	8.8
157.06517	1.1
157.10115	10.1
159.08092	1.6
159.11667	9.4
161.09612	2.6
161.13275	2.3
163.11159	0.9
163.14902	0.9
167.08531	2.8
169.10124	9.0
170.11018	1.0
171.08122	1.2
171.11653	7.3
173.09680	1.1
173.13231	4.2
175.11172	1.8
177.12726	1.5
180.09320	1.0
181.10101	3.7
183.11714	4.3
185.09590	1.4
185.13202	5.4
187.11128	0.9
187.14801	2.6
189.16438	1.3
195.11679	3.5
197.13269	4.0
199.14812	3.6
201.12782	1.5
201.16457	1.7
203.14339	1.1
209.13281	2.6
211.14810	3.6
213.12837	1.5
213.16400	1.4
215.14316	1.8
217.16060	1.3
221.13066	1.2
223.14798	2.5
225.16371	2.0
227.14297	1.9
229.16013	1.4
233.15247	1.4
237.16307	1.8
241.15849	1.7
243.17314	1.1
245.15317	1.2
247.14700	0.8
247.16974	3.5
251.17812	1.0
255.17567	1.6
259.16998	1.2
261.18481	2.4
269.19077	1.0
273.18594	1.4
307.87814	0.9
325.25272	2.9
335.23822	5.9
343.26285	7.4
353.24722	18.7
371.25815	17.0
377.59097	0.9
389.26843	20.4
390.27258	1.1
391.16806	1.0
409.27228	1.1
427.28458	2.9
445.29489	100.0
446.29782	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	445.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
53.52872	0.8
55.01855	3.4
55.05506	17.3
57.03426	2.7
57.07053	0.9
65.03922	3.5
67.05499	40.6
68.05787	0.9
69.03406	1.8
69.07063	10.6
71.04982	4.0
79.05486	37.1
79.05947	2.0
81.03395	3.6
81.07051	37.8
83.04963	2.4
83.08600	8.0
85.06522	2.3
91.05463	49.4
93.07037	37.1
94.38315	0.8
95.04955	6.8
95.08598	23.8
97.06539	3.9
97.10165	3.0
99.08103	0.8
103.05471	2.4
105.04513	1.7
105.07019	51.8
107.04945	4.4
107.07860	1.2
107.08582	19.3
109.06490	3.3
109.10152	10.3
111.08083	1.3
115.05411	4.2
117.07009	24.4
119.08573	27.6
121.06544	4.2
121.10127	9.3
123.08059	3.2
123.11678	2.1
125.09641	1.1
128.06213	4.0
129.07001	16.8
130.07759	2.1
131.04878	1.2
131.08556	36.6
132.21954	0.8
133.06458	1.6
133.10132	16.0
135.08017	3.3
135.11722	4.4
137.09628	2.5
138.09869	0.8
141.06967	6.7
142.07788	2.4
143.08548	18.3
144.09418	0.9
145.06450	3.7
145.10112	21.3
147.07994	4.0
147.11670	6.6
149.09575	2.5
149.13268	1.6
151.11198	2.6
155.08568	9.2
157.06584	1.1
157.10114	11.7
159.08057	3.1
159.11694	10.3
161.09636	2.0
161.13258	2.9
163.11220	1.6
166.07918	0.9
167.05563	1.4
167.08556	2.2
168.09352	1.2
169.10129	7.7
171.08026	0.9
171.11682	9.1
173.09587	2.0
173.11923	0.9
173.13211	4.8
175.11235	1.6
177.12782	1.4
181.10121	4.6
183.11670	5.7
185.13245	4.9
187.11166	1.6
187.14841	3.5
189.12836	1.0
193.10063	1.3
195.11739	4.8
196.52579	1.1
197.13292	6.1
199.14796	2.9
201.12851	0.9
201.16467	1.5
203.14233	0.8
209.13326	2.1
211.14769	3.1
213.12799	1.8
213.16422	1.1
215.14337	1.6
217.15953	1.1
219.13873	1.0
221.13261	1.5
223.14813	2.6
225.03998	1.1
225.12677	1.2
225.16383	2.2
227.14345	1.4
229.15887	1.3
233.15494	0.8
241.15941	1.8
245.15334	1.2
247.16913	4.0
255.17442	1.1
259.17047	3.1
261.18533	3.0
273.18558	2.2
275.20142	0.8
307.24435	0.9
325.25299	4.3
335.23615	4.7
343.26389	6.2
353.24695	18.9
359.02899	2.1
371.25793	19.2
389.26831	17.7
427.28442	4.3
445.29483	100.0
446.29834	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03939	3.5
55.01869	3.6
55.05239	1.1
55.05505	17.7
57.03426	3.4
57.07079	1.4
63.02375	0.7
65.03915	3.6
65.54939	0.6
67.05499	44.2
69.03425	1.7
69.07063	14.1
69.48302	1.5
69.48709	6.7
71.04973	4.4
77.03885	0.9
79.05487	36.2
81.03407	3.4
81.07051	41.3
83.04943	3.8
83.08619	6.3
85.02888	0.9
85.06531	2.4
91.05462	53.3
92.05779	0.9
93.07036	37.7
93.44904	0.8
95.04951	8.1
95.08597	25.0
97.06527	4.3
97.10165	2.8
99.08067	1.1
103.05451	3.2
105.07023	53.3
106.07303	0.9
107.04943	4.6
107.08585	18.7
109.06526	4.1
109.10156	8.1
111.08067	1.8
113.09571	0.8
115.05482	3.7
116.06232	1.7
117.07012	23.9
119.04967	1.2
119.08571	30.4
121.06486	4.7
121.10140	10.4
123.08057	3.2
123.11707	1.8
125.09643	1.2
128.06213	4.7
129.05511	0.9
129.06996	17.6
130.07774	1.4
131.04900	1.1
131.08557	40.3
132.08949	0.8
133.06432	3.9
133.10114	14.9
135.08020	4.4
135.11697	4.9
137.05983	0.8
137.09641	2.5
141.06953	6.8
141.07744	0.6
142.07784	2.3
143.08548	18.7
144.09470	1.0
145.06494	3.0
145.10115	22.2
147.08037	4.8
147.11678	5.8
149.09630	2.5
149.13237	1.3
151.11176	1.4
153.06964	1.6
154.07713	1.2
155.08540	8.3
156.09302	0.9
157.06584	0.9
157.10110	12.8
157.39171	0.7
159.08067	2.7
159.11685	10.9
161.09599	2.6
161.13255	2.7
163.11185	2.2
167.05597	1.5
167.08568	3.3
169.10083	7.9
171.08096	1.1
171.11679	8.5
172.12289	0.7
173.09618	2.2
173.13239	5.7
175.11273	1.6
175.14825	0.9
177.12749	1.0
179.08574	1.7
181.10158	5.3
182.10829	0.9
183.11662	4.7
185.09602	1.3
185.13228	4.8
187.11252	1.5
187.13287	0.9
187.14839	2.8
189.12804	1.5
195.11737	2.9
197.13235	5.2
199.11229	1.0
199.14809	2.9
201.12659	1.1
201.16183	0.9
205.15927	1.0
207.13826	0.9
209.13283	3.2
211.14821	3.8
213.12694	1.9
213.16357	2.0
215.14430	1.6
217.15863	1.8
219.13773	1.5
221.15334	0.8
223.14825	2.8
225.16394	1.9
227.14238	1.8
229.15886	1.4
233.15430	2.1
237.16354	1.7
241.15819	2.8
243.17441	1.5
245.15361	1.6
247.16916	3.5
255.17474	1.5
259.17007	2.7
261.18527	1.9
269.19058	1.2
273.18445	1.4
275.20206	0.8
307.24051	1.0
317.21976	0.7
325.25311	2.7
335.23734	5.9
343.26282	5.1
353.24741	18.8
359.02817	1.6
371.25778	18.4
371.30353	1.2
389.26846	15.6
427.28485	4.1
445.29480	100.0
445.66824	0.8
446.29919	4.8
446.35251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01862	5.1
55.05511	18.9
56.54461	2.6
57.03418	5.5
60.76714	3.0
67.05499	55.0
69.03434	3.7
69.07065	18.7
70.80930	4.1
70.81274	6.1
71.04979	8.4
79.05484	49.3
81.03427	7.4
81.06616	5.0
81.07056	52.0
83.04984	8.0
83.08602	8.7
84.47797	3.2
91.05456	55.2
93.07037	48.0
95.04996	6.6
95.08607	33.7
97.02892	3.6
97.06512	3.8
97.10184	4.7
105.07021	57.0
107.04934	5.3
107.08598	27.0
109.06519	5.0
109.10158	13.2
111.08050	4.4
115.05456	6.4
117.07031	25.9
119.08569	35.0
121.06464	9.3
121.10133	13.9
123.08079	4.2
123.11678	3.6
128.06189	6.8
129.06985	19.5
129.68756	2.9
130.07767	3.3
131.08556	45.4
133.10101	16.7
135.08055	3.3
135.11665	8.5
141.07002	6.3
142.07747	3.6
143.08549	21.9
143.42365	2.8
145.06540	4.7
145.10118	33.9
147.07991	4.8
147.11702	10.0
149.09639	4.5
155.08545	12.0
157.10130	12.8
159.08089	3.6
159.11711	11.3
163.11136	3.2
167.05472	3.8
167.08595	4.4
169.10120	8.9
171.11658	9.4
173.13261	5.3
175.14874	3.9
183.11691	5.7
189.16360	3.3
197.13156	5.5
199.14859	5.7
209.11603	3.3
211.14938	4.5
223.14755	6.8
233.15416	3.0
247.17020	5.3
259.16974	5.2
261.18362	4.2
284.43634	2.8
307.65820	2.9
312.65375	3.3
325.25269	6.3
335.23853	5.4
343.26321	7.1
353.24777	18.4
371.25897	26.9
389.26743	18.9
395.72644	2.9
445.23181	5.6
445.29498	100.0
446.29825	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	445.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70829	1.2
53.00307	1.2
53.03935	4.4
54.70631	1.2
55.01880	2.1
55.05509	8.5
57.03215	1.5
57.03438	16.4
57.07066	1.4
59.04985	1.7
61.02915	1.6
64.57056	1.2
67.05154	2.7
67.05500	47.0
67.05858	2.5
69.03427	14.7
69.07063	7.0
70.30734	5.8
71.01332	1.4
71.04987	100.0
73.02901	2.1
73.04738	2.9
79.05485	22.1
81.02960	2.0
81.03413	34.3
81.07050	69.6
83.04971	12.5
83.08620	5.2
84.08099	1.5
85.02895	10.7
85.06535	9.1
87.04471	1.4
91.05424	39.1
93.07037	18.9
95.04977	6.2
95.08605	9.2
97.02885	34.2
97.03445	0.9
97.06535	7.6
97.10158	1.9
99.04446	6.6
99.08052	1.7
103.03943	2.6
105.07028	21.6
107.04954	3.0
107.08574	17.9
109.02871	8.7
109.06503	4.8
109.10140	11.8
111.04468	5.9
111.08061	3.1
114.07311	1.2
117.07036	3.0
119.08582	2.4
121.06520	2.9
121.10134	5.7
123.11696	14.1
125.09609	1.9
127.03906	12.2
129.05482	4.3
129.06953	1.3
131.08575	5.5
133.10129	28.7
135.11674	4.2
137.05954	3.6
139.03888	3.8
143.56908	1.5
145.10109	1.9
147.07968	1.5
147.11670	3.0
149.13258	8.8
151.11174	19.3
153.05431	1.6
157.10197	1.7
159.11740	7.2
160.00224	1.4
163.07558	1.9
167.05577	5.5
167.06923	2.0
167.14363	1.3
169.12225	4.4
173.04422	7.4
177.12717	5.6
183.06493	2.1
183.13786	10.3
187.13284	32.9
193.12158	1.4
195.13834	5.9
201.07582	1.8
201.14854	16.7
217.12184	1.2
225.04401	1.6
239.09283	1.3
243.15784	5.9
257.17471	68.1
258.17871	2.2
269.17447	6.2
283.18927	1.9
301.20087	10.4
339.17944	2.9
359.02783	7.6
395.20465	2.9
413.21832	10.3
445.24338	60.3
446.24664	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	445.2946
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
52.28391	0.7
53.03939	1.6
55.01854	2.8
55.05507	13.6
57.03433	3.7
61.89256	0.7
65.03930	1.6
67.05501	26.0
69.03411	1.4
69.07066	8.5
69.58131	2.9
69.58567	3.8
71.04980	3.5
72.92429	0.7
79.05036	1.4
79.05486	22.1
81.03394	3.5
81.07052	26.2
83.04955	2.9
83.08620	5.8
85.02914	1.0
85.06529	2.2
91.05458	28.4
92.05841	0.9
93.07037	18.9
95.04967	4.1
95.08595	16.3
97.02880	2.1
97.06516	3.4
97.10155	1.4
99.08116	0.8
103.05455	2.6
103.65988	0.7
105.07026	26.0
107.04960	2.1
107.08578	10.4
109.06503	2.4
109.10165	4.5
111.08056	1.0
115.05431	4.2
117.07008	21.4
119.08564	17.5
121.06504	2.9
121.10132	6.6
123.08036	2.4
123.11693	0.9
125.09617	0.8
128.06209	5.6
129.05531	1.0
129.06993	22.6
130.07744	1.3
131.08560	34.6
133.06470	1.9
133.10115	11.0
135.08020	2.1
135.11682	3.1
137.09592	1.5
141.06989	8.8
142.07779	3.0
143.08559	18.5
145.06473	1.9
145.10114	18.9
147.08043	2.6
147.11691	3.1
149.09589	1.7
149.13269	1.5
151.11163	2.0
153.07005	1.3
154.07797	2.4
155.07343	1.3
155.08542	10.8
157.10120	13.3
159.08047	1.8
159.11690	8.1
161.09607	1.2
161.13226	1.6
163.11099	1.1
165.07016	1.1
167.08586	4.5
169.10120	8.4
171.08090	0.9
171.11694	7.7
173.04465	0.9
173.09669	1.1
173.13235	3.2
175.11195	1.1
176.74738	0.7
179.08562	1.2
181.10103	8.0
183.11676	9.4
185.09694	1.2
185.13269	4.4
187.11099	1.0
187.14790	1.9
195.11710	6.2
195.13251	1.0
197.13248	5.4
199.11191	1.8
199.13162	0.8
199.14836	2.9
201.12802	1.4
207.11771	1.0
209.13203	6.4
211.14774	4.5
213.12843	1.4
213.16394	1.2
215.14288	1.4
221.13324	0.8
223.14876	4.8
225.16374	3.1
227.14301	1.6
227.17911	1.2
229.15936	1.4
233.15298	1.0
235.14932	0.9
237.16380	3.0
240.41295	0.8
241.15898	2.3
243.17477	1.1
245.15158	1.0
247.17004	1.3
251.17979	1.3
255.17464	2.9
257.17407	1.4
259.17075	1.5
261.18555	1.3
269.19012	1.7
271.16919	1.3
273.18491	1.4
287.20117	1.2
307.24222	0.8
311.19888	0.8
311.23407	0.7
317.22598	1.2
325.21490	0.9
325.25247	2.6
333.20563	1.6
335.23666	11.0
343.26379	2.2
347.22101	1.3
353.24722	28.5
354.25101	1.4
371.25781	15.0
389.26846	7.4
409.27374	0.9
418.87610	0.9
427.28473	8.5
445.29486	100.0
446.29807	5.0
458.69809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.05495	7.9
57.03445	21.9
57.62348	4.0
59.18156	3.7
65.03909	3.6
65.34653	3.5
67.05497	40.2
69.03425	27.1
69.07050	7.6
71.04626	5.8
71.04986	100.0
71.24562	8.0
79.05505	20.3
79.07370	4.4
80.57063	3.5
81.03410	63.1
81.07048	73.7
83.04958	18.3
83.08587	5.0
85.02891	13.9
85.06536	9.8
89.90355	3.8
91.05462	33.1
93.07034	21.4
95.08585	10.8
97.02875	29.6
97.06510	6.9
99.04455	9.0
105.07029	26.4
107.08584	14.7
109.02861	7.1
109.06476	4.6
109.10120	10.0
111.08011	4.7
119.08568	4.6
121.10096	7.7
123.11645	20.4
127.03907	12.7
129.05464	7.7
131.08562	5.7
133.10095	33.5
135.11642	5.1
145.10135	4.0
147.11548	4.6
149.13286	5.0
151.11179	21.8
159.11659	12.6
169.12308	5.0
173.04437	31.4
177.12714	8.2
183.13779	14.6
187.13261	27.4
195.13756	9.2
201.14813	16.2
207.16594	4.6
225.72415	4.3
243.15926	5.6
257.17484	59.1
269.17551	6.4
278.84204	4.3
301.20050	7.6
310.30438	4.2
343.59940	4.5
401.28067	4.8
413.21710	12.5
445.24274	61.8
445.29398	8.0
446.48761	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	445.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61446	0.6
58.99575	1.2
63.05015	0.6
63.92839	0.5
69.07070	0.9
70.06580	0.9
71.70760	0.8
73.04749	2.9
74.00651	0.9
76.02222	2.1
76.03988	1.6
81.07057	0.8
83.06114	0.6
84.04498	7.2
85.04009	1.1
91.05796	11.7
94.06561	1.4
97.06483	0.7
99.02641	1.4
99.05556	0.9
105.07031	0.9
106.06558	0.8
108.08123	1.8
109.08897	0.9
110.06004	1.0
110.09658	1.3
111.02661	0.9
112.03930	0.6
113.03477	0.6
114.07366	0.8
116.01685	2.9
118.06454	0.5
119.07300	1.6
120.08089	0.7
122.06029	5.7
123.41893	0.6
124.02177	0.8
125.02950	0.9
126.03738	1.5
127.02166	0.7
129.06595	0.8
130.04996	3.9
131.04469	1.5
135.02710	0.7
136.07512	1.1
137.08347	36.9
138.09134	7.9
139.03909	1.7
140.10663	1.7
142.06870	0.9
144.01132	1.1
145.06050	1.3
149.04436	0.8
152.05267	4.5
162.02171	3.8
167.05527	5.9
168.04659	0.7
170.06334	100.0
171.06630	1.3
172.07915	2.0
177.03281	5.1
179.04849	0.6
181.05968	0.7
185.03755	1.8
196.07886	11.1
206.06339	1.2
213.10583	5.3
218.05858	0.8
223.08963	4.0
224.07365	13.1
225.04271	1.2
227.02177	0.9
231.04404	5.0
241.10028	5.3
279.11551	1.5
288.06558	0.9
298.12140	4.5
299.10587	0.6
311.05652	0.6
316.13251	6.6
342.99649	1.0
352.13367	0.7
359.02859	6.6
370.14310	1.8
445.10956	3.5
445.17380	1.5
450.45978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3881
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
67.05493	17.9
69.07052	27.6
69.47234	49.5
69.47661	27.9
81.07059	46.9
81.10000	8.7
83.08573	9.0
91.05468	10.6
93.07053	36.5
95.08592	100.0
97.06533	10.9
97.10139	9.1
105.07023	23.1
107.08575	53.5
109.10139	78.1
119.08587	51.3
121.10130	90.9
123.11706	38.7
127.11153	21.6
133.10104	48.9
135.11699	61.0
137.13240	13.6
137.30981	7.5
145.10034	9.5
147.11681	24.4
149.13255	63.0
159.11713	20.1
161.13194	36.7
161.61055	8.2
163.14842	17.9
173.13278	9.7
173.19408	7.8
175.14806	20.6
187.14714	12.9
189.16304	16.3
191.17941	95.7
203.17964	31.5
205.19530	8.1
217.19551	49.9
235.20493	9.9
407.36301	14.7
425.37875	44.9
443.33228	10.7
443.39053	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	444.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47535	18.1
69.03465	19.2
70.06576	24.3
71.29968	36.2
72.31300	20.8
73.04765	33.0
75.21790	17.9
81.03411	20.9
91.05814	100.0
107.04967	42.1
121.06496	28.5
151.42830	20.6
155.40915	21.1
167.05516	30.5
216.95175	19.6
229.12276	23.1
229.29398	19.6
244.64525	20.2
247.13452	40.6
359.02640	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	445.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	32.2
56.96850	1.8
70.55222	5.3
73.04751	9.7
74.97601	1.9
75.02692	1.3
84.96049	8.1
85.02911	1.7
87.00700	1.8
91.05785	55.0
93.03725	2.0
98.97573	42.2
101.23053	1.2
110.97569	14.0
113.25832	1.3
114.07356	1.8
116.98606	31.7
128.98607	30.6
131.00163	4.0
134.99660	16.5
139.03850	3.3
140.00122	2.0
143.00090	6.6
146.99641	28.0
149.01201	3.9
149.04457	2.1
152.98590	1.9
158.99677	6.9
161.01204	15.8
162.99103	1.4
165.00700	5.0
167.05544	19.7
170.99609	9.3
174.04411	1.5
177.00711	9.2
179.02254	3.5
182.99617	1.5
186.04434	2.2
189.00613	7.7
195.01758	1.7
197.01205	4.9
201.00714	4.2
213.00717	3.9
215.02263	10.6
219.01736	42.0
225.04271	8.8
227.02306	2.7
231.01709	1.8
232.16833	1.3
233.03362	4.1
237.02792	100.0
241.00179	13.8
242.03369	3.8
255.03821	10.2
259.01260	20.8
260.04327	6.7
266.39725	1.8
282.02798	2.1
283.01291	4.5
301.02405	2.5
309.02997	2.0
317.41162	1.5
319.01379	2.9
324.98798	1.7
325.02286	2.9
337.02069	2.1
342.99744	6.5
356.52902	1.5
357.75208	1.4
358.98520	1.0
359.02817	31.0
367.03488	4.1
385.04364	74.1
386.04633	1.9
403.05444	42.9
404.05994	1.6
408.06042	4.4
426.07025	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	443.388
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
53.46473	6.1
55.05489	18.6
67.05505	32.0
69.07079	35.2
69.33591	5.3
71.72759	5.9
79.05475	12.9
81.03371	6.3
81.07054	56.6
83.08615	16.2
91.05457	16.5
93.07041	38.8
95.08602	100.0
97.06532	16.9
97.10176	9.9
105.07015	21.6
107.08587	54.5
109.10157	97.8
111.11712	6.0
115.07542	5.7
119.08573	38.9
121.10135	60.7
122.45059	5.6
123.11718	35.0
127.11164	9.7
131.08577	6.1
133.10138	39.1
135.11676	44.0
137.13248	13.2
145.10103	11.5
147.11649	29.0
149.13222	32.1
159.11711	11.1
161.13249	28.0
163.14803	19.8
175.14810	12.9
177.16345	10.7
189.16434	11.9
191.17932	35.4
200.18016	6.2
201.16287	12.2
203.18010	15.1
205.19450	9.3
217.19513	12.7
329.28632	7.1
425.37729	21.5
443.33386	22.5
443.38922	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	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55970	4.0
55.05505	19.4
56.14280	4.9
57.07075	5.3
67.05486	30.9
69.07063	36.4
71.21009	13.2
78.72936	3.7
79.05477	14.6
81.07048	56.3
83.08598	11.3
91.05470	18.1
93.07044	42.3
95.08600	100.0
97.06537	12.0
97.10151	8.1
105.07021	20.5
107.08583	65.0
108.52979	5.2
109.10149	66.9
111.11752	4.5
119.08568	30.6
121.10119	49.9
123.11753	26.1
125.09602	6.4
126.48373	4.2
127.11135	7.2
131.08553	7.4
133.10123	30.1
135.11684	54.6
137.13237	16.5
143.10692	8.9
145.10107	9.7
147.11687	22.4
149.13223	35.5
149.69264	4.8
159.11668	9.6
161.13257	23.9
163.14844	15.5
175.14812	15.1
177.16345	7.7
180.84601	4.5
189.16423	10.7
191.17953	64.3
198.09560	5.1
201.16344	7.1
203.17931	8.3
215.17955	9.5
217.19496	13.8
219.17453	4.9
243.21001	5.5
286.16119	5.1
340.34402	4.2
367.33899	7.2
425.37704	14.4
443.33405	10.6
443.38821	14.4
462.79376	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	443.388
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05502	10.4
57.02821	3.1
57.07070	4.5
67.05489	20.4
69.07056	27.0
70.20370	3.0
71.04986	6.7
71.63791	5.2
79.05494	17.4
81.06612	5.3
81.07053	51.7
83.08606	13.6
91.05461	15.1
93.07042	48.8
95.08595	100.0
97.06517	4.3
97.10166	4.5
99.08102	5.9
105.07031	29.6
107.08588	81.8
109.10155	73.1
111.11697	4.1
119.08568	51.2
121.10136	69.2
123.11703	30.2
127.11204	13.4
131.08557	6.2
133.10121	52.5
135.11682	69.8
137.13232	17.5
145.10097	10.9
147.11665	40.8
149.13239	39.6
159.11717	16.2
161.13249	30.2
163.14838	20.4
173.13281	6.2
175.14824	15.1
177.16371	11.3
187.14819	5.9
189.16371	24.7
191.17932	91.9
197.68958	3.1
201.16379	11.3
203.17941	37.3
205.19527	12.8
207.17355	3.2
213.16380	3.1
215.17928	12.4
217.19510	38.3
219.21132	6.0
221.19035	4.4
229.19647	3.3
233.18980	6.7
235.20459	3.2
267.86765	3.5
407.36655	11.9
425.37708	53.9
426.37964	7.2
443.38702	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	443.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.8
53.03931	2.9
55.01861	3.1
55.05506	16.3
57.03421	3.9
57.07060	1.2
65.03932	2.7
67.05150	1.7
67.05496	32.4
69.03424	1.2
69.07057	12.4
71.04975	3.1
71.70687	1.2
71.71058	1.0
73.32507	0.8
79.05482	26.5
81.03427	1.6
81.07050	25.7
83.04954	2.6
83.08620	8.0
85.06532	1.8
91.05470	38.5
93.06438	1.8
93.07030	24.7
95.04951	6.5
95.08590	17.9
97.06511	3.8
97.10168	2.6
99.08099	0.9
103.05457	2.6
105.07011	25.5
106.79580	0.9
107.04921	4.4
107.08585	11.6
109.06510	7.1
109.10146	6.2
111.08063	1.4
113.09695	1.2
115.05421	6.1
116.06229	1.5
117.07005	21.4
119.04966	1.5
119.08569	16.6
121.06499	5.5
121.10122	4.9
123.08056	3.7
123.11647	1.1
125.05898	0.8
125.09612	2.1
127.07570	1.2
128.06203	9.2
129.06995	32.5
130.07753	2.4
131.04926	1.8
131.08553	29.1
133.06490	6.0
133.10126	9.8
135.08041	3.8
135.11685	2.6
137.09616	3.4
139.07538	1.0
139.66959	0.9
141.06972	11.5
142.07762	3.4
143.08548	30.8
145.06490	6.6
145.10097	14.5
147.08000	4.6
147.11668	3.2
149.09625	5.1
151.11201	1.6
153.07028	2.4
155.08543	22.2
156.09282	1.7
157.06517	2.3
157.10110	16.5
157.11342	0.8
159.08017	4.8
159.11662	6.4
161.09624	3.0
161.13249	1.7
163.11154	1.9
165.07010	2.8
165.09103	9.6
166.07797	1.9
166.93697	1.0
167.08565	10.0
168.09352	1.4
169.10114	12.8
171.08006	3.0
171.11668	8.0
173.09619	2.6
173.13194	1.6
175.11168	2.8
176.30705	0.9
179.08534	3.7
181.10107	9.1
182.10852	2.0
183.08063	1.0
183.11670	7.1
183.44072	0.9
185.09546	2.4
185.13229	5.6
187.11182	2.9
187.14879	1.5
189.12764	1.6
191.08583	1.0
191.10567	0.9
193.10126	2.5
195.11670	7.8
197.09654	2.1
197.13260	5.5
199.11116	2.1
199.14833	3.5
200.11864	0.9
201.12679	2.3
203.16100	1.0
205.10196	1.5
206.10886	1.2
207.11685	4.0
209.13266	6.1
211.11217	1.7
211.14874	4.0
213.12756	6.4
213.16374	0.9
215.14345	2.2
217.15881	1.8
219.11763	1.1
221.13254	6.0
223.14893	4.3
225.12724	2.5
225.16327	1.8
227.14293	3.0
227.18005	1.3
231.13757	1.4
231.17528	1.0
233.13246	1.4
233.15387	1.2
235.14798	2.3
237.16502	1.3
239.14279	4.3
241.15868	1.8
243.13663	0.9
245.15329	1.5
247.17061	1.3
253.15927	3.5
255.13965	0.9
255.17497	1.7
257.15277	2.0
259.17023	1.0
267.17432	1.4
269.15326	1.2
271.16888	3.5
275.02768	0.9
305.22647	1.5
315.21213	1.4
323.23679	4.6
333.22076	11.0
341.24698	5.9
345.20410	2.6
351.23141	27.6
352.23502	1.6
369.24207	36.4
370.24521	1.6
387.25302	13.9
389.24628	1.4
400.54364	1.0
415.28534	1.3
425.26978	5.7
443.27902	100.0
444.28293	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	443.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01851	2.7
55.05502	15.8
57.03418	2.6
57.07063	1.3
59.05005	0.7
60.71085	0.6
65.03928	3.0
67.05497	33.5
69.03390	0.9
69.07060	10.6
71.04963	2.6
75.04484	0.7
77.03894	0.8
79.05024	1.5
79.05485	30.2
81.03402	1.5
81.07046	29.6
82.07391	0.7
83.04964	2.5
83.05425	0.6
83.08614	7.7
85.06532	2.6
91.05467	37.7
92.05816	1.0
93.07030	23.5
95.04959	6.4
95.08595	18.2
95.09198	1.1
97.06522	3.2
97.10148	3.0
99.08091	1.3
103.05487	2.6
105.04499	1.1
105.07014	29.5
107.04938	4.3
107.08580	11.7
109.06510	5.3
109.10133	6.9
111.08063	3.2
115.05415	6.4
116.06252	1.8
117.06173	1.2
117.07004	20.6
119.04951	1.3
119.08558	15.9
121.06503	6.4
121.10148	6.7
123.04443	0.8
123.08003	4.0
123.11666	1.1
125.09591	1.4
128.06200	10.9
129.06990	33.9
130.07793	1.0
131.04910	1.3
131.08556	28.2
132.08885	1.0
133.06485	5.2
133.10101	9.3
135.08008	4.6
135.11668	2.8
137.09616	2.9
141.06955	12.3
142.07747	4.1
143.08549	27.4
144.09290	0.9
145.06494	7.0
145.10098	15.9
147.08035	6.1
147.11647	3.7
149.09619	4.4
149.13219	0.9
151.11188	1.2
153.06975	2.5
154.07768	2.4
155.06027	1.2
155.08531	20.6
156.09280	1.1
157.06456	3.4
157.10100	12.7
159.08041	4.9
159.11647	6.6
161.09602	2.5
163.11188	1.2
165.06972	3.4
165.09120	1.0
166.07755	1.5
167.08516	9.2
168.09291	1.3
169.10109	12.7
170.10767	1.0
171.08055	3.2
171.11664	9.1
173.09634	2.2
173.13301	1.7
175.09776	0.8
175.11160	3.3
178.07742	1.6
179.08525	4.6
180.09277	1.7
181.10112	9.3
182.10825	1.5
183.08128	1.2
183.11665	8.3
185.09666	3.2
185.13210	6.7
187.11191	2.4
187.14786	1.5
189.09146	1.0
189.12764	1.5
193.10088	4.4
195.11653	8.5
196.12140	0.9
197.09610	1.7
197.13200	5.1
199.11171	2.5
199.14828	3.2
201.12746	1.9
205.10196	1.5
207.11703	3.8
207.13580	0.8
209.09695	0.9
209.13217	5.8
211.11137	3.0
211.14783	3.8
213.12671	7.0
213.16403	1.8
215.14320	2.0
217.16054	1.0
219.11687	1.7
221.13243	4.7
222.13971	0.7
223.14772	4.2
225.12732	3.4
225.16394	2.0
227.14355	3.6
229.16058	1.0
231.17415	0.9
233.13158	0.9
233.15269	1.0
235.14876	4.3
237.12637	0.9
237.16577	1.9
239.14236	3.8
241.15785	2.2
243.13745	1.2
245.15393	1.4
249.16476	2.0
253.15800	3.5
255.17509	1.2
257.15274	2.1
259.16867	1.3
267.17471	1.2
271.16904	2.9
273.18542	0.8
285.18491	1.2
305.22427	1.2
323.23624	4.6
331.18921	1.2
333.22079	7.8
341.24826	6.1
345.20621	1.5
351.23154	25.3
352.23264	1.4
359.26022	0.8
369.24200	36.0
370.24423	2.1
387.25256	13.3
389.24640	0.9
407.25931	0.8
415.28610	1.6
425.26666	5.2
443.27887	100.0
444.28223	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	443.097
Annotation	EPICATECHIN MONOGALLATE
Peak:m/z	Relative Intensity
53.00298	0.5
53.03933	0.3
55.01855	0.8
55.05497	0.3
62.01588	0.2
65.03931	1.0
67.05511	0.5
68.99769	0.9
69.07040	0.3
70.01904	1.6
70.06572	1.2
81.03420	1.6
83.04952	0.4
86.09691	2.2
93.03417	0.5
95.04928	0.5
96.82419	0.3
97.02889	0.5
104.58513	0.3
107.04958	0.4
109.02855	0.3
109.90016	0.3
111.00782	0.5
111.04440	2.4
121.02840	1.1
123.04430	3.0
127.03883	1.7
135.04417	0.4
137.02339	30.5
137.03412	2.7
139.03891	100.0
140.04211	1.1
143.72566	0.3
149.05986	0.6
151.03896	6.6
153.01855	0.6
157.97375	0.3
163.03896	4.1
177.05449	0.7
179.07014	0.4
181.04951	1.5
187.03918	0.5
205.04955	2.3
229.04890	0.3
247.06061	0.7
271.06094	0.3
287.05667	0.3
289.07031	4.2
307.08154	1.1
443.29684	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.279
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
55.05490	8.7
56.50268	3.2
67.05489	14.3
69.07045	9.6
71.72836	6.7
78.04227	3.5
79.05481	7.3
81.07046	23.7
83.01327	6.2
83.04985	3.8
83.08620	5.2
85.87999	3.4
91.05470	7.0
93.07014	12.0
95.08596	19.5
95.54136	3.7
97.06509	4.8
97.20144	4.3
105.07049	19.4
107.08570	16.6
109.06484	3.6
109.10148	11.8
111.08035	6.2
117.07049	4.7
119.08567	18.6
121.06514	4.7
121.10107	15.6
123.08036	5.1
123.11678	6.0
131.08539	8.9
133.10106	12.6
135.08038	7.7
135.11617	6.2
137.05992	28.5
139.07535	7.1
143.36682	3.5
145.10094	9.1
147.11667	21.2
149.13251	5.9
151.07506	10.1
159.11642	7.4
161.05931	4.2
161.13188	6.2
163.07521	9.9
169.08664	5.0
179.07024	17.1
181.08572	18.0
189.73782	3.7
203.17929	27.8
207.06523	100.0
207.10129	7.6
209.08078	8.9
239.09096	22.0
257.10660	4.0
273.05566	4.5
367.64804	4.3
383.25824	26.9
393.24142	14.9
411.25168	42.8
443.27777	11.1
443.33472	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.8
58.60012	0.6
65.03926	1.3
67.05487	0.6
68.99773	3.9
70.06567	0.7
71.70966	0.7
71.71346	0.5
83.04974	0.9
85.02907	1.1
93.03395	0.9
93.51802	0.6
95.04938	0.7
97.02886	0.5
108.43586	0.5
110.37916	0.6
111.00796	1.0
111.04462	2.8
121.02847	2.2
123.04463	3.1
127.03888	3.0
135.04393	1.1
137.05948	0.8
139.03886	100.0
140.04265	1.3
147.04401	1.9
147.09160	3.1
151.03873	10.3
153.01831	0.8
155.04913	0.8
157.06491	1.2
161.05916	1.0
163.03917	3.6
165.05403	1.3
167.03354	3.4
169.06471	0.8
171.04416	1.4
173.05983	0.6
175.03870	3.9
177.05443	2.7
179.03391	9.9
179.04875	1.0
181.04926	1.5
183.04424	1.1
185.06035	1.3
187.03876	0.6
189.05444	3.0
191.03372	6.6
193.04976	4.0
195.71898	0.5
197.05862	1.2
199.03972	1.5
201.05472	3.0
203.03374	9.0
205.04971	1.9
211.03888	0.9
213.05438	3.7
215.07080	0.6
217.04948	2.7
225.05363	0.9
229.04999	3.8
231.06435	4.5
233.04352	3.6
241.05104	0.8
245.04442	5.4
251.05469	1.3
253.04887	1.0
257.04407	9.6
258.04877	0.8
259.05942	1.1
263.05365	3.3
269.04535	0.7
271.05960	3.3
275.05493	11.6
281.14926	2.1
287.05484	23.7
299.05472	18.7
299.08884	0.9
317.06555	11.0
407.07599	0.8
425.08487	4.2
443.09851	1.2
443.15118	1.2
443.20209	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	443.0968
Annotation	EPICATECHIN MONOGALLATE
Peak:m/z	Relative Intensity
51.02381	0.9
55.01883	0.8
59.17417	0.6
65.03948	1.4
67.05511	1.2
67.28789	0.5
68.43328	0.6
68.99792	1.1
70.06569	0.9
70.95377	1.8
77.03925	0.6
79.01853	1.6
82.25873	0.6
83.04976	1.0
92.87469	0.6
93.03424	0.6
95.04958	1.2
97.02858	0.8
97.90371	0.6
105.03395	0.8
111.04416	4.3
119.04965	1.1
123.04423	81.8
124.04706	1.3
125.02329	1.5
139.03893	100.0
140.04262	1.7
143.03394	2.6
143.04778	0.6
147.04402	7.0
151.03885	8.6
153.01820	28.4
153.02849	1.3
161.05991	1.6
163.03893	0.9
165.05476	6.1
186.96814	0.6
189.05444	1.4
207.06474	0.7
254.16389	0.5
255.06432	1.3
273.07602	5.5
291.08582	6.3
443.13745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05496	1.5
67.05493	3.8
69.03422	1.1
69.07058	4.1
69.74296	8.1
75.04420	1.2
79.05489	1.2
81.07037	6.9
83.04966	3.2
83.08579	2.0
91.05470	1.1
92.09016	1.2
93.07026	4.4
95.04959	2.2
95.08617	15.1
97.91381	1.0
104.21095	1.1
105.07019	4.0
107.08590	10.4
109.10161	6.4
111.08056	1.9
111.11723	1.8
119.08567	5.7
121.06552	1.2
121.10173	5.9
123.08090	1.4
123.11704	4.9
131.08531	1.6
133.10135	5.1
135.08017	1.9
135.11684	9.8
137.13217	3.4
145.10159	1.5
147.11638	2.5
149.09627	10.3
149.13240	2.8
159.11694	1.8
161.13242	1.7
163.11217	2.0
163.14783	2.0
173.13185	2.4
175.14838	2.9
177.16405	3.6
179.88284	1.0
187.14821	2.1
189.16386	3.9
191.17906	5.7
201.16377	1.5
205.19643	1.4
215.17972	4.5
217.15898	1.6
233.18983	4.6
235.16914	2.2
287.23831	6.3
293.32004	1.3
346.48062	1.2
423.35986	1.8
441.37280	100.0
442.37631	5.3
446.50623	1.2
462.39453	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05504	30.2
57.07050	10.3
59.05003	4.9
67.05492	29.4
69.03416	3.4
69.07058	29.2
71.04974	13.4
77.80017	2.9
79.05480	20.4
79.43198	3.3
81.07047	63.4
83.08598	24.8
83.65810	3.4
85.31446	2.8
88.22019	2.9
91.05485	21.2
92.27588	3.4
93.07026	58.6
95.04967	4.2
95.08605	87.7
97.10178	6.8
99.08083	14.5
102.71128	3.5
104.24846	4.0
105.07018	51.8
107.08587	97.7
107.62786	3.5
109.06506	3.4
109.10142	100.0
109.10892	5.2
111.08041	6.9
117.06990	6.8
119.08572	80.4
121.10131	79.8
123.11698	40.2
125.09641	6.6
127.11189	29.5
129.06964	4.0
131.08568	13.7
133.10124	91.8
135.08034	14.9
135.11684	70.4
137.13239	21.2
139.11069	3.8
145.10107	31.7
147.11678	59.7
149.09602	6.0
149.13235	55.1
151.11148	6.0
153.01837	4.7
157.10158	5.2
159.11665	47.7
161.13226	43.8
163.11169	15.3
163.14804	26.8
165.12796	4.8
173.13255	17.5
175.14804	35.8
177.12770	7.9
177.16350	13.2
185.13164	5.2
187.14787	22.2
189.16373	41.9
191.17900	14.0
199.14742	4.9
201.16370	25.7
203.17957	46.5
205.15849	32.3
207.17395	20.5
213.16357	4.8
215.17941	17.0
217.19508	69.5
219.17438	12.2
221.19009	8.7
227.17867	3.6
233.18953	8.3
235.20569	5.9
249.18472	4.1
271.20615	4.3
298.55118	3.6
343.29883	5.1
355.29895	8.5
405.35248	5.2
423.30835	7.0
423.36209	75.7
424.36865	6.5
441.37350	77.8
442.38147	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	441.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77439	1.8
53.03931	3.1
55.05286	2.2
55.05512	23.9
57.07067	9.6
60.25356	2.2
66.13213	1.8
67.05499	33.8
69.07066	41.2
69.70039	9.7
69.70464	6.6
71.04978	4.0
71.08625	3.1
79.05491	22.6
81.07054	68.1
83.08615	24.6
85.06526	5.5
91.05473	13.5
93.07040	55.9
95.04979	4.0
95.08604	100.0
97.06520	5.9
97.10172	17.2
98.21455	2.8
98.84229	2.3
99.04445	8.4
101.06013	2.9
103.11954	2.5
105.07027	33.7
107.08588	98.7
109.06493	2.6
109.10149	76.2
111.08077	2.5
111.11713	4.3
115.07529	2.5
117.06969	2.2
119.08572	40.0
121.10133	68.2
121.11000	3.8
122.10505	3.2
123.08069	3.1
123.11707	39.2
125.09611	3.3
131.08566	6.4
133.10123	34.7
135.08022	3.9
135.11685	45.3
136.91328	2.4
137.13243	12.1
143.08609	2.1
143.10643	3.7
145.10101	13.2
147.08008	2.3
147.11665	23.0
149.09596	5.8
149.13225	29.5
151.14810	2.5
153.09117	4.8
157.10159	2.1
159.11673	12.6
161.09575	2.9
161.13260	20.7
163.11148	3.3
163.14816	17.1
167.10645	10.6
171.11743	3.7
173.13280	6.7
175.11235	4.7
175.14882	12.0
177.16370	11.5
179.10652	6.0
181.12259	11.0
187.14804	6.4
189.16379	9.5
191.17917	24.9
193.12236	2.3
193.19479	2.1
195.13835	5.9
201.16357	4.8
203.17972	22.7
205.19525	16.4
207.21164	2.8
213.16396	2.3
217.19495	21.7
219.17386	4.6
219.21086	6.2
221.15285	3.7
223.16931	5.4
231.21059	4.0
235.16855	4.7
237.18605	5.1
245.22751	5.1
249.18578	4.9
257.22681	2.2
260.55453	2.6
299.27423	3.7
313.28955	2.5
371.29138	3.5
385.30884	3.0
441.31311	3.4
441.37244	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.47108	4.6
55.05496	16.0
57.07057	9.9
67.05498	28.5
69.07064	20.8
69.82304	4.1
71.04978	11.2
71.48412	5.7
72.92641	4.7
76.19901	4.5
79.05480	20.0
81.07055	50.9
83.08628	8.0
91.05459	19.6
93.07030	63.4
94.06280	5.0
95.04861	5.1
95.08600	85.5
97.10126	4.8
99.08070	16.6
100.49945	4.7
105.07024	45.0
107.08578	100.0
109.10159	74.9
119.08577	76.8
120.08878	5.0
121.10130	82.2
123.11684	32.7
127.11194	12.7
131.08568	10.8
133.10124	73.7
135.08026	15.2
135.11690	61.1
137.13187	17.3
145.10092	30.7
147.11665	45.7
149.13249	53.2
159.11682	31.6
161.13242	35.8
163.11092	10.6
163.14799	18.0
165.12740	6.6
167.08762	4.5
173.13268	12.5
175.14786	19.6
177.12810	7.4
177.16389	10.6
187.14801	17.0
189.16338	26.5
191.17871	8.7
194.87273	4.6
201.16367	15.8
203.17923	28.0
205.15891	22.1
207.17361	11.0
208.16394	4.8
215.18027	6.0
217.19543	32.3
219.17494	5.4
233.18977	6.3
343.29919	4.9
365.73181	5.3
423.36108	37.1
441.37277	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	441.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.5
55.05291	1.1
55.05505	12.7
57.03421	2.1
59.85069	1.0
60.02208	1.0
60.22491	1.2
60.76567	0.9
66.50292	0.8
67.05199	1.2
67.05498	14.4
69.03424	1.2
69.07057	5.1
70.30366	1.9
70.30756	2.4
71.04980	1.7
79.05488	14.9
81.03390	2.0
81.07053	15.6
83.05001	2.1
83.08607	6.2
85.02901	1.5
91.05460	8.1
93.07034	7.5
95.04952	2.3
95.08594	15.8
97.06485	1.3
97.10155	4.1
101.75391	1.0
105.07032	11.1
107.04962	2.4
107.08581	9.0
109.06504	1.8
109.10146	5.3
111.04433	1.0
111.08061	2.2
115.05459	3.3
117.07021	5.8
119.04934	2.6
119.08568	5.9
121.06499	8.0
121.10125	4.5
123.08038	3.5
123.11672	1.4
125.09623	2.5
127.08726	0.9
128.06215	3.3
129.06996	13.5
131.04929	10.9
131.08559	9.5
133.06479	5.9
133.10136	2.0
134.05981	1.0
135.08076	2.3
137.09576	1.6
141.07004	3.8
143.08559	11.1
144.05655	5.3
145.06473	77.4
145.10141	2.8
147.08028	5.1
147.11697	1.2
147.78795	0.9
151.07536	1.4
153.01822	3.3
153.06917	1.7
155.08543	6.3
157.06474	10.8
157.10121	3.6
159.08006	9.1
159.11742	1.4
161.05980	7.1
163.11078	1.4
165.07089	1.5
165.09114	5.6
167.08595	5.1
168.09265	1.0
169.06459	7.3
169.10136	3.7
170.07321	1.8
171.08064	13.9
171.11800	1.1
173.09598	2.4
179.08525	1.7
181.06526	2.8
181.10127	3.8
181.97734	1.0
182.10704	1.0
183.08031	6.6
183.11729	2.0
184.08810	1.4
185.09590	6.3
185.13226	1.9
187.14772	1.5
189.16304	1.1
193.10165	1.6
195.08086	6.1
195.11665	11.1
196.08875	1.0
197.09601	5.8
197.13184	5.6
198.10393	1.0
199.11179	2.9
201.12692	1.3
203.14273	1.3
205.12128	1.1
207.11673	1.4
209.09598	3.5
209.13200	2.5
211.11177	5.3
213.12704	1.8
219.11705	1.3
222.10332	1.8
223.11229	3.9
224.12079	1.1
225.12695	5.3
227.14240	9.2
233.09578	1.3
235.11211	2.7
237.12700	9.7
243.13821	2.2
249.12721	1.6
253.15839	1.9
255.13760	17.2
257.15485	1.8
263.14117	1.2
271.06024	1.3
271.16934	1.1
273.14850	35.6
274.15283	1.5
276.07828	0.9
281.15500	4.5
283.16876	3.0
287.16541	2.0
293.15277	1.2
295.16998	2.6
297.15179	1.3
297.18423	2.6
299.16452	2.9
307.16925	1.5
311.16467	5.0
313.17981	1.5
321.22189	2.3
323.20245	1.4
325.17950	1.7
331.20563	1.7
339.23029	7.1
349.21619	31.4
367.22653	58.4
368.22955	1.5
377.24637	3.1
385.23669	12.2
387.23184	2.0
395.33133	2.4
405.24210	14.4
423.25369	6.7
441.26349	100.0
442.26584	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	441.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.3
66.79504	0.5
68.99781	2.8
69.03416	0.7
70.06564	1.0
70.60191	0.5
71.70999	0.7
79.01849	5.9
79.05484	0.5
81.03403	1.4
85.02859	0.8
95.97462	0.5
97.02888	1.7
107.01340	0.8
120.08094	0.6
123.04414	2.2
125.02328	4.6
127.03912	4.4
128.54443	0.7
129.06985	0.9
135.04420	3.2
137.02312	1.3
137.05952	1.0
138.10391	0.6
138.47906	0.6
139.03902	2.4
141.06958	1.0
143.03380	7.3
153.01816	100.0
153.02716	3.8
154.02141	2.2
157.06444	0.7
159.04369	0.9
163.03885	3.4
168.80165	0.5
169.06525	0.8
173.06015	2.6
175.07570	1.1
179.03378	30.5
180.03760	1.4
185.06053	1.0
187.03781	0.8
197.05980	1.5
201.05452	2.2
203.07095	2.0
213.05449	1.2
215.07179	0.7
225.05443	1.7
229.04907	4.4
241.04974	0.9
243.06612	0.7
252.09378	0.6
253.04951	1.3
269.04483	0.7
271.05994	29.3
272.06308	1.0
273.03903	0.8
279.11935	0.9
287.05518	3.9
289.07037	2.6
315.05020	1.7
331.04507	6.7
341.05585	0.6
420.67630	0.6
423.56970	0.6
441.17062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43893	1.3
55.50798	1.3
56.96554	15.7
63.14092	1.3
63.15757	1.3
66.44135	1.4
70.88663	4.2
72.24570	1.3
80.88172	1.4
83.40182	1.4
84.96024	8.4
98.91920	7.6
98.97571	96.2
102.97031	1.6
110.97556	25.2
113.59060	1.4
116.98609	44.6
119.01948	2.1
124.99110	2.1
128.98581	29.6
134.99631	13.9
140.00160	1.8
140.98605	10.3
143.00157	11.3
146.99643	16.2
149.01195	1.6
152.98604	4.6
158.99622	34.2
159.00816	2.6
161.01218	13.3
162.01633	1.4
165.00720	1.9
170.99637	27.6
177.00690	37.5
182.99617	15.6
189.00700	29.6
189.02271	1.6
195.01836	3.5
200.02208	1.7
200.98825	3.2
201.00682	56.0
207.01685	7.7
213.00714	5.0
219.01741	58.9
224.02345	2.4
225.00610	1.4
231.01721	5.9
237.02769	19.4
242.03339	2.5
243.01726	19.7
249.02824	2.6
255.03841	2.7
261.02780	100.0
273.02768	10.0
279.03860	65.0
284.04602	2.1
291.03851	17.7
297.04922	2.9
302.05399	4.9
303.03400	1.6
309.04977	3.4
317.62054	1.5
321.04892	43.9
333.04959	4.9
351.05951	6.6
365.10501	4.0
381.07077	3.4
399.08176	4.3
441.09103	15.2
441.14606	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50500	0.6
51.02377	1.0
56.95408	0.5
60.80827	0.5
62.62429	0.5
68.99798	2.6
70.06592	0.9
71.69728	0.9
79.01854	7.1
79.05501	0.5
97.02887	1.3
107.01325	1.3
107.04942	0.7
111.04418	0.6
123.04440	2.3
125.02369	3.9
127.03912	4.5
132.27531	0.6
135.04417	3.6
137.02330	0.7
137.05948	0.8
139.03894	1.1
141.06964	1.0
143.03395	8.5
150.07741	9.0
151.03867	0.8
153.01819	100.0
153.02808	4.2
153.22908	0.5
154.02176	2.3
160.95929	0.6
162.66351	0.6
163.03906	3.4
169.06609	0.6
173.05971	2.5
179.03384	30.3
180.03873	0.7
183.04391	0.8
185.06009	1.1
187.03865	0.6
197.05960	2.3
201.05470	3.0
203.07050	1.5
205.28975	0.6
207.03319	0.6
213.05362	1.2
215.07074	0.9
225.05447	2.2
229.04916	4.5
241.04797	1.3
245.04456	0.9
253.04945	1.6
263.05383	0.8
271.05994	29.1
272.06296	1.0
287.05472	5.4
289.07019	2.0
297.04163	0.5
309.13068	1.1
315.04858	1.4
331.04465	5.8
403.66525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
51.02383	0.9
55.01862	0.3
61.68881	0.2
63.45671	0.2
67.05505	0.3
68.99784	3.5
69.03419	0.3
69.50999	2.6
70.06602	0.4
79.01846	6.2
84.20115	0.3
86.09689	0.3
89.69596	0.2
95.45089	0.3
97.02876	1.4
107.01283	1.7
107.04960	0.6
111.00768	0.6
115.05431	0.2
122.53544	0.3
123.00672	0.3
123.04420	2.4
125.02345	4.0
127.03902	3.7
131.04889	0.4
134.66170	0.2
135.04402	2.8
137.02260	0.3
139.03879	0.7
141.07005	0.8
143.03383	8.9
145.06415	0.4
151.03879	0.4
153.01811	100.0
153.02751	4.1
154.02148	2.2
155.04890	0.6
157.06477	0.8
159.04317	0.4
161.06039	0.3
163.03879	3.9
167.04901	0.4
169.06474	0.7
173.06003	3.2
177.05424	0.4
179.03377	30.9
180.03670	0.8
183.04382	0.6
183.19092	0.2
185.05945	0.8
187.03918	0.8
197.05962	1.3
198.06375	0.3
201.05426	2.8
203.06963	2.2
212.76227	0.2
213.05457	1.1
215.07089	0.3
225.05406	1.8
229.04903	4.3
229.06943	0.4
241.04973	1.1
243.06529	0.9
245.04443	1.0
253.04874	1.5
263.05438	0.5
269.04483	0.8
271.05984	29.8
272.06381	1.4
273.04102	0.3
285.04022	0.4
287.05493	3.7
289.07025	2.4
291.04935	0.5
297.03946	0.4
308.37341	0.3
315.05002	1.5
331.04465	7.0
365.18576	0.3
375.92889	0.3
426.73981	0.3
452.72556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
57.26884	0.3
67.53336	0.4
68.99786	2.5
69.03432	0.4
70.05580	2.3
70.06602	0.4
72.08129	0.4
79.01430	0.7
79.01843	7.1
80.22335	0.4
95.04990	0.7
95.56442	0.4
97.02859	1.0
98.20763	0.4
107.01307	1.6
107.04939	0.8
111.00784	0.9
123.04414	2.0
125.02338	4.4
127.03899	4.0
130.94870	0.4
131.04933	0.6
132.33990	0.5
135.04414	2.5
139.03897	1.2
139.05296	0.4
141.06921	0.7
143.03383	9.3
145.06386	0.7
147.04370	0.6
151.03963	0.6
153.01820	100.0
153.02837	4.4
154.02147	2.3
154.04953	0.6
155.04935	0.8
157.06493	0.7
159.04346	0.5
161.05914	0.5
163.03902	4.3
169.06453	0.8
173.05933	3.0
177.05382	0.5
179.03383	32.8
180.03697	0.9
183.04425	1.1
185.05956	0.9
187.03896	0.9
189.01675	0.5
197.05963	1.7
201.05437	3.3
203.07013	1.4
213.05418	1.1
215.07106	0.6
225.05473	1.5
229.04970	4.6
231.02959	0.6
241.04930	1.3
243.06593	0.8
245.04584	1.2
253.04999	1.7
263.05533	0.6
271.05991	28.7
272.06332	1.1
273.03983	0.7
285.03976	1.3
287.05472	4.2
289.07037	2.1
291.04944	0.8
315.04916	1.1
315.67059	0.4
331.04489	5.7
355.45477	0.5
363.06918	0.9
381.02408	0.4
393.09366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.5
57.07070	9.7
67.05499	17.2
69.07063	25.0
70.29199	8.9
72.38195	1.6
78.67427	1.8
79.05475	11.2
81.07050	40.6
82.38587	1.5
83.08609	12.2
89.06038	2.6
91.05470	15.9
93.07040	34.4
95.04976	2.4
95.08596	77.7
96.08920	1.6
97.10129	5.7
103.05486	1.9
105.07008	35.9
107.08578	54.5
109.10143	47.7
117.06962	2.4
119.08567	62.7
121.08284	2.0
121.09266	3.1
121.10132	48.0
123.11678	21.9
131.08516	6.8
133.10117	51.0
135.11674	30.8
137.13242	8.1
140.31502	1.7
145.10106	11.8
147.11676	45.7
149.13249	24.6
151.07562	2.3
153.09055	8.1
157.10088	4.1
159.11673	9.6
161.09669	2.6
161.13249	27.5
163.11160	2.5
163.14807	16.6
167.10652	6.6
171.11693	3.7
173.13243	9.0
174.13976	2.0
175.14819	16.6
177.16403	9.8
179.10606	2.0
179.17969	1.9
185.13225	1.9
187.14769	9.5
189.16370	74.7
190.16649	2.7
191.17934	68.8
192.18205	3.6
193.12296	2.7
194.05727	1.8
199.14818	2.8
201.16391	17.6
203.17944	100.0
204.18185	3.8
205.19502	22.2
213.16356	3.9
215.17883	8.6
217.15997	2.9
217.19510	17.5
221.18971	4.6
227.17867	2.3
229.19505	5.6
231.17531	3.5
231.21051	5.5
235.16908	7.3
241.19455	2.2
243.20979	2.4
245.22713	4.3
247.16914	5.5
249.18486	18.8
257.22617	3.6
261.18484	2.8
269.22549	2.4
283.23965	2.1
315.23151	2.1
376.82104	1.7
393.35239	12.8
421.30527	10.3
439.31915	39.3
439.36279	18.7
440.32516	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.5
57.07078	10.5
57.16547	2.0
65.89153	1.9
67.05501	26.4
69.07061	17.7
71.08621	2.9
74.84836	1.9
75.29972	1.7
79.05469	7.9
81.07052	74.3
83.08607	10.2
85.10178	3.8
89.06062	4.8
91.05461	6.1
92.76777	2.1
93.07024	16.6
95.08597	100.0
96.08933	2.6
97.10151	7.8
98.21448	7.4
105.07016	13.2
107.08586	20.3
109.10146	43.2
111.11731	2.2
117.06984	3.2
119.08565	12.6
121.10110	12.8
123.11697	34.5
131.08574	10.0
133.10130	10.0
133.97318	2.0
135.11687	10.0
137.13251	55.0
143.08536	5.7
145.10098	11.3
147.11658	8.1
149.13245	9.3
157.10074	4.2
159.11681	10.4
161.13261	5.1
163.07387	1.9
163.14880	4.8
171.11685	10.0
173.13246	6.6
175.14784	7.5
179.17931	7.3
185.13257	7.0
187.14790	6.8
189.16379	5.6
191.17950	3.2
199.14748	11.0
201.16322	12.2
203.17871	4.0
213.16342	10.2
214.16908	2.5
215.17963	12.4
227.17906	3.6
234.18042	2.2
241.19493	8.5
243.21127	8.2
255.21123	4.6
259.16949	8.9
263.02301	2.6
269.22595	7.1
287.20026	3.3
289.21564	2.5
323.35324	2.3
393.35199	20.4
421.34604	3.0
422.35782	2.4
439.35760	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.84030	0.4
53.03924	1.1
55.01865	0.7
55.05256	0.7
55.05508	11.7
57.07077	3.6
58.83992	0.4
59.04984	0.5
59.93826	0.4
65.03921	0.8
66.53338	0.5
67.05150	0.7
67.05498	12.2
69.03422	0.4
69.06705	0.9
69.07063	16.6
70.28812	2.3
70.29154	0.7
71.04988	2.7
71.08612	1.0
72.10324	0.4
77.03918	0.9
79.05482	9.9
81.07050	24.6
83.04958	1.3
83.08609	8.4
85.06532	1.7
91.05470	9.7
93.07040	21.3
95.04948	1.6
95.08601	32.4
97.06520	1.8
97.10155	4.4
98.20705	0.6
99.04454	4.4
99.08070	1.4
101.06008	1.4
103.05499	0.9
105.07022	23.0
107.08586	36.5
109.06516	1.5
109.10150	31.1
110.10469	0.7
111.08068	1.1
111.11726	1.1
115.07597	0.9
115.29944	0.4
117.07005	2.7
119.08570	34.6
121.06493	1.0
121.10134	40.1
122.10485	0.6
123.08054	2.5
123.11701	12.3
125.09597	1.7
127.07529	0.9
127.11166	4.5
128.06253	0.8
129.06966	1.9
130.07811	1.1
131.08554	11.0
133.10120	33.9
134.10468	0.6
135.08064	3.0
135.11682	19.5
137.09612	1.5
137.13240	3.9
139.11183	0.8
141.09192	0.8
142.07758	1.5
143.08542	4.2
143.10648	1.1
144.09341	1.9
145.10114	21.4
145.11259	1.1
146.10680	0.5
147.08060	1.0
147.11673	28.4
149.09633	4.5
149.13245	7.8
151.11162	1.1
151.14787	0.8
153.09087	1.5
155.08556	1.2
156.09247	0.5
157.10117	7.2
158.10918	2.3
159.11682	25.6
160.12114	0.9
161.09642	2.8
161.13258	16.7
163.11151	4.3
163.14847	3.4
165.09113	1.0
165.12772	0.6
167.10684	6.2
169.10097	1.4
171.11674	5.8
172.12422	0.9
173.09616	1.0
173.13248	9.5
174.13916	0.6
175.11166	4.2
175.14783	6.8
177.12724	2.8
177.16374	2.7
179.10681	2.1
181.12213	3.7
183.11693	1.8
185.13261	3.6
186.93349	0.5
187.11151	0.7
187.14813	9.0
188.15414	1.2
189.12799	2.3
189.16371	16.5
190.16779	0.5
191.10588	0.6
191.14355	0.7
191.17935	11.4
192.18347	0.6
193.12202	1.1
193.15944	0.5
195.11670	1.1
195.13783	2.1
197.13240	1.7
199.14792	5.1
201.12694	0.7
201.16368	22.3
202.16769	1.3
203.14316	2.4
203.17938	34.2
204.18353	1.6
205.15854	3.0
205.19585	3.2
207.17490	0.7
209.13374	0.7
209.15472	0.6
211.14828	1.9
213.16420	4.1
215.17946	15.6
216.18446	0.7
217.16029	2.7
217.19484	11.5
219.13899	0.6
219.17465	3.4
221.15312	0.8
221.19063	0.9
223.14728	0.6
223.16925	0.8
225.16385	1.1
227.17950	1.8
229.19548	2.7
231.17442	3.9
231.21027	0.9
233.15324	0.8
233.19058	2.2
235.16930	3.8
237.18474	1.9
239.18031	1.0
241.19431	1.0
243.21069	1.6
245.22704	0.9
247.17058	1.2
249.18372	2.4
253.19498	1.2
255.21132	1.0
257.22668	1.2
265.19632	0.6
267.21310	0.9
269.22427	1.0
281.22748	0.6
283.24161	0.6
285.22473	0.5
285.25696	0.9
287.19974	0.5
289.21683	0.6
293.22742	0.6
297.25754	1.0
299.23499	0.7
306.82465	0.5
311.27316	0.8
323.27316	0.7
325.28854	0.5
329.24841	1.2
335.27310	1.3
341.28317	0.9
353.28482	1.5
355.26422	0.7
357.27924	0.6
369.27939	1.3
379.29434	0.6
383.29483	1.1
396.30130	0.9
397.30652	1.1
403.33539	1.6
421.34653	11.9
422.35080	2.0
439.35699	100.0
440.36060	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
56.01390	2.2
57.03425	1.9
60.17484	1.5
67.05496	3.8
68.05012	2.2
69.03397	2.2
69.07059	15.5
70.06586	2.1
71.70146	1.9
73.02913	2.7
73.06538	4.2
79.05496	2.5
80.05003	2.5
81.03417	1.4
81.07040	2.7
83.04932	1.2
83.08654	1.4
84.04513	3.6
85.02892	8.5
86.06073	1.9
86.09695	13.5
91.05516	2.9
93.07010	6.0
95.08575	2.2
96.04465	2.0
97.06512	1.6
98.06039	14.8
102.05469	1.2
105.07021	2.5
107.08589	3.2
108.08106	27.7
109.10149	1.9
110.09687	3.2
114.05537	1.8
117.07058	1.5
121.10185	2.5
122.09627	2.6
125.09636	4.6
130.05014	9.5
134.09677	2.3
134.14056	1.2
134.99585	1.2
135.11694	3.4
141.09132	1.8
142.04980	55.2
148.11133	1.4
149.09689	1.5
150.12785	8.1
151.13477	2.0
152.10806	1.9
152.14336	41.0
154.12239	15.1
154.15913	3.3
155.54881	1.2
156.06555	4.4
169.08580	38.3
173.01535	1.3
178.15935	6.2
196.16957	34.1
198.11243	61.7
199.11566	1.3
200.12840	13.4
207.76160	1.3
236.16504	2.2
244.11794	87.3
245.12202	1.8
259.17047	1.3
264.15988	16.4
266.17419	1.6
269.12537	1.5
273.04022	1.4
287.05438	1.9
300.97910	2.0
308.18567	8.1
317.05829	1.3
351.26431	3.1
362.97998	1.9
374.97906	7.7
375.26648	1.3
388.95877	6.2
392.99371	5.6
395.25293	52.3
396.25604	1.6
397.99417	12.2
398.99854	2.6
439.01785	2.0
439.22894	15.8
439.28076	100.0
440.28177	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	439.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94449	0.7
53.03930	2.0
55.01851	2.2
55.05503	13.7
57.03432	6.7
57.07059	1.6
59.04995	5.2
61.02898	1.0
65.03922	3.1
67.05497	100.0
68.05828	1.0
69.03412	3.3
69.07053	4.6
71.04987	5.7
71.45528	1.6
73.02948	1.1
79.05483	13.4
81.03408	30.8
81.07049	26.2
83.04977	5.5
83.08609	17.5
85.02387	1.5
85.02890	19.4
85.06519	3.1
91.05470	18.9
93.07033	12.7
94.99924	0.7
95.04955	14.0
95.08585	10.9
97.02885	2.5
97.06565	1.9
97.10145	2.8
105.07014	12.5
107.04938	2.3
107.08580	6.1
109.06511	2.2
109.10145	65.4
110.10503	1.4
111.04446	2.0
111.08070	8.0
113.05988	1.5
117.07030	1.7
119.08566	16.9
121.06491	0.8
121.10134	5.4
123.08061	0.9
123.11705	1.9
125.09630	1.6
127.11273	0.8
129.06972	6.0
131.08554	5.8
133.06468	1.7
133.10115	5.2
135.11739	0.9
137.09584	3.5
139.03885	2.2
142.07761	1.5
147.08090	1.7
147.11699	9.3
149.09622	3.4
151.03915	1.2
155.10651	3.1
157.10069	5.9
165.12759	1.5
173.11717	21.5
175.11195	7.6
179.03494	0.9
193.12225	33.0
211.13277	37.9
229.14406	1.2
248.26965	0.9
267.09122	1.3
267.15900	3.1
285.10034	1.0
317.06421	1.5
329.02332	1.0
336.20319	0.9
439.26886	49.4
440.27206	1.1
447.90063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2301
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
62.02554	0.3
67.05489	0.6
71.49518	0.3
71.72820	0.5
71.73185	0.4
81.07067	0.4
85.02873	0.4
97.88180	0.3
105.07020	0.3
107.08514	0.4
118.82732	0.4
125.60065	0.3
139.03889	0.4
140.35297	0.3
163.82079	0.3
176.21056	0.3
201.03702	1.7
203.05310	1.3
211.51917	0.3
238.78494	0.3
259.16672	3.4
261.18246	13.7
277.17761	1.8
299.62357	0.3
300.03506	0.3
393.01199	0.5
411.02176	0.5
439.23010	100.0
440.23328	5.4
447.57449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28511	0.7
53.03936	1.9
55.01873	1.5
55.05509	15.2
56.96548	1.1
57.03428	6.3
57.07066	1.1
59.05006	4.2
61.02918	2.0
65.03933	3.3
67.05501	100.0
68.05827	1.2
69.03423	2.8
69.07058	5.8
70.30196	1.8
70.30612	2.5
71.04986	6.2
73.02906	1.0
77.38045	0.7
79.05483	14.5
81.03412	33.4
81.07053	26.8
82.03726	0.8
83.04971	6.6
83.08614	17.4
85.02900	16.9
85.06544	4.0
91.05477	21.5
91.06064	1.1
93.07038	12.4
95.04969	13.8
95.08604	10.4
97.02898	2.3
97.06527	2.0
97.10181	2.7
99.08121	0.9
105.07025	11.3
107.04965	3.0
107.08595	7.4
109.06511	2.8
109.10149	62.9
111.04450	1.5
111.08078	7.8
113.06007	1.9
115.05473	0.8
117.06976	1.7
119.08574	13.6
121.10136	6.0
123.08089	1.0
123.11704	1.9
125.09589	1.5
129.07002	5.2
131.08559	5.4
133.06490	1.4
133.10152	4.8
135.11700	1.1
137.09619	2.6
139.03914	0.9
142.07724	0.9
145.10086	0.9
147.08052	1.8
147.11674	8.8
149.09630	2.9
151.11145	1.1
155.10661	3.3
157.10141	6.9
165.12752	2.7
173.11742	19.7
175.11150	8.3
193.12228	32.1
195.13838	1.1
211.13280	37.7
212.13609	1.0
229.14351	2.2
243.08884	0.8
249.14781	1.1
267.09045	1.9
267.15921	3.3
277.34561	0.9
285.10031	3.6
302.00452	1.0
303.94537	0.8
324.11566	1.0
344.97110	1.0
374.98059	1.3
388.96021	1.4
392.99039	1.1
397.99591	3.4
398.99289	0.9
439.26898	57.1
440.26767	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	439.142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03998	0.9
55.01863	1.0
55.05511	4.7
57.03445	0.9
61.43862	0.8
64.41644	0.9
65.03947	1.1
67.05501	16.8
69.03419	1.2
69.07059	2.7
69.78764	6.0
71.04952	1.4
79.05492	3.8
81.03404	3.8
81.07057	7.0
83.08621	2.5
85.02899	3.1
91.05478	3.3
93.07043	3.6
95.04972	2.7
95.08601	7.6
97.02911	1.0
97.06474	0.9
105.07035	2.7
107.04974	1.2
107.08604	2.3
109.06541	1.1
109.10134	6.5
111.08065	1.2
117.06969	1.0
119.04838	1.0
119.08564	2.5
121.10132	1.4
128.06238	1.8
129.07005	1.2
131.04913	1.4
131.08565	1.9
133.06468	1.6
133.10104	1.7
139.03899	4.0
141.06915	1.9
145.06522	1.0
147.04366	2.0
147.08043	1.1
147.11742	0.8
151.03877	1.8
152.06171	1.0
153.07050	2.3
155.08514	1.0
156.05675	1.8
157.06479	1.8
157.10150	1.5
159.11687	0.9
163.03874	1.1
165.07043	3.6
166.07655	1.1
167.07126	1.2
167.08586	1.1
168.05685	4.0
169.06505	2.9
170.07294	1.0
171.04414	0.9
171.08063	4.8
173.11737	2.7
175.11206	1.1
178.07777	1.4
179.03372	1.1
179.08528	2.8
181.06415	5.2
182.07272	4.7
183.08051	3.8
184.05185	7.8
185.05968	2.6
185.09662	1.8
187.07542	1.3
187.11180	1.1
193.06541	1.6
193.10326	0.9
193.12251	3.9
194.07326	1.2
195.08064	3.8
196.05209	9.6
196.08922	1.2
197.05974	6.2
197.09586	1.4
198.06772	2.3
199.07509	16.3
201.09164	1.2
202.07837	0.9
203.17975	1.1
207.08038	5.8
208.08867	1.1
209.05951	2.4
209.09485	1.3
210.06752	6.3
211.07535	23.2
211.11095	1.2
211.13327	3.4
212.04701	6.1
212.08281	1.4
213.05403	2.4
213.09138	3.4
215.07062	1.4
219.08044	1.3
220.08705	1.2
221.05984	3.4
221.09677	3.2
223.07487	2.9
223.11176	1.4
224.04691	1.5
224.08276	2.7
225.05472	3.5
225.08998	6.8
226.06277	3.8
227.07013	34.7
228.07629	2.1
229.05017	2.0
229.08571	4.6
235.07527	4.6
236.08336	1.8
237.05508	0.9
237.09091	3.9
238.06261	3.8
239.07014	31.4
239.10817	3.2
240.07793	4.6
241.08589	12.8
242.05769	3.4
243.06520	1.0
244.07248	4.8
249.09113	2.5
249.12758	6.6
251.07034	1.4
252.07764	2.4
252.11159	1.1
253.08614	17.0
254.09377	1.1
255.10143	2.2
256.07291	4.6
257.08078	17.5
259.09592	29.3
259.12195	1.6
263.10495	1.4
265.08459	1.6
266.09412	1.7
267.10147	13.2
267.13766	4.7
268.10809	1.5
271.09637	48.8
272.09848	1.2
273.11200	1.3
277.12262	12.5
278.12692	2.0
280.10901	1.8
281.11804	3.6
281.15369	8.1
285.11252	5.3
291.13745	1.4
294.12500	1.0
299.05487	1.3
299.12784	8.0
309.11261	1.7
309.14816	32.8
317.06406	1.0
326.15018	2.5
341.17432	100.0
342.17813	3.5
359.18655	1.2
439.14142	7.9
439.26807	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	438.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	8.3
58.99578	16.9
59.24636	4.1
67.05509	3.6
68.05024	5.1
69.03425	4.2
70.02940	5.8
71.04984	4.3
72.04510	5.0
74.00661	13.5
76.02217	24.7
76.03975	5.7
79.05493	4.1
80.05003	4.8
81.58836	3.1
83.06121	4.1
84.04498	78.4
85.01116	31.1
85.02885	8.6
85.04019	7.5
86.00637	32.2
86.99046	60.1
88.02218	6.1
97.01121	7.6
97.06535	23.1
98.00652	3.9
100.02193	7.1
102.03748	15.6
102.05545	16.5
102.52747	3.1
112.02176	25.6
114.03733	11.3
116.01639	19.4
127.02096	5.4
129.06566	5.9
130.03183	12.1
130.05005	29.1
139.03909	7.8
142.03220	22.8
143.02725	27.2
144.01170	7.5
145.06073	5.9
155.08154	6.5
158.02737	7.3
162.02235	12.9
169.04332	5.3
170.06326	10.1
171.02245	4.4
172.07912	5.6
177.03322	9.2
179.04845	11.8
188.07463	7.0
189.03278	100.0
196.04291	8.2
205.06493	6.8
206.08360	5.6
215.04855	43.4
217.06451	5.8
224.03754	4.7
230.25252	4.7
233.05872	17.1
276.04761	8.2
279.08627	3.5
287.06952	15.8
291.10028	25.6
309.10999	4.8
318.64343	3.5
362.09930	7.0
420.13895	4.3
432.78336	3.8
438.09598	7.4
438.15353	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.05503	16.4
57.07071	20.7
64.13304	2.6
65.03905	3.2
67.05498	18.6
69.07065	17.8
70.16707	9.5
70.17122	6.8
71.08613	9.6
75.00113	2.6
76.08645	2.9
79.05489	17.2
81.07053	69.4
83.08613	12.7
85.10187	5.5
87.44375	2.6
89.06023	23.8
91.05463	18.6
93.07040	48.3
95.08023	5.7
95.08598	100.0
97.10172	4.2
104.05774	3.2
105.07026	38.0
107.08591	60.4
109.06496	3.1
109.10146	34.9
117.06984	6.7
119.08570	42.3
121.10123	45.0
123.11691	20.8
125.09622	2.7
127.96944	2.7
129.07033	3.9
131.04918	5.3
131.08546	14.0
133.08592	11.4
133.10107	30.1
135.11682	47.5
137.13232	30.2
143.08537	9.5
145.10081	21.3
147.11684	27.6
149.13235	38.3
151.14861	4.9
157.10101	12.8
159.11700	19.2
161.13228	18.2
163.14803	6.1
171.11658	15.1
173.09506	3.5
173.13254	12.2
175.14827	16.1
177.07594	2.8
177.16376	28.8
183.11708	5.0
185.13258	10.0
187.14789	14.7
189.16396	24.8
191.17949	11.0
197.13263	6.3
199.14848	12.9
201.16368	26.7
203.17947	40.7
212.06613	2.8
213.16422	13.6
215.17960	13.8
217.19568	5.3
225.16341	3.1
229.19543	5.2
230.28864	3.4
233.15308	3.6
239.17924	4.2
241.19604	21.4
253.19530	4.4
255.20959	4.8
259.16934	10.1
266.84625	3.6
267.21048	6.6
285.18405	4.3
287.20081	7.5
299.19986	5.2
313.21744	3.9
324.16776	3.0
368.15884	3.3
368.21066	3.2
391.33588	20.3
437.28726	4.7
437.34189	52.8
438.34311	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.2
57.07058	5.2
61.47378	1.6
65.03919	2.0
66.22747	1.6
67.05506	18.7
69.07063	17.3
69.37962	19.9
71.08616	2.7
71.65118	1.4
79.05473	9.7
81.06608	3.0
81.07054	33.4
83.08610	8.7
91.05460	13.0
93.07037	27.7
95.08601	46.4
97.10159	4.1
103.05460	3.8
104.05788	2.1
105.07020	42.8
107.08583	40.5
109.06472	1.7
109.10149	24.6
114.49740	1.7
117.07018	8.3
119.08568	61.9
121.10141	31.2
123.11697	10.9
125.09639	1.6
129.06992	2.5
131.04910	9.7
131.08571	17.0
132.05246	8.2
133.10127	40.8
135.11682	20.8
137.13272	4.6
143.08577	5.6
144.09299	1.9
145.10117	36.2
147.11685	35.2
149.13278	12.3
151.14771	2.1
153.09120	3.7
157.10114	6.4
158.10880	3.5
159.11688	35.5
159.30295	1.8
160.12297	2.9
161.13261	22.6
163.07755	1.5
163.14803	9.9
169.10106	1.6
171.11690	7.2
173.13257	12.5
175.14810	29.3
177.16354	14.6
183.11627	2.2
185.13257	3.0
187.14749	11.5
189.16373	65.4
190.16734	2.2
191.17848	10.2
199.14781	6.2
201.16379	56.0
202.16634	2.5
203.17949	63.2
204.18355	3.2
205.19565	2.8
211.14848	4.3
213.16342	10.8
215.17931	29.5
217.19530	6.4
221.15359	4.0
227.17911	4.6
229.19513	8.0
235.16986	4.7
241.19527	7.7
243.21129	6.0
247.17006	6.0
253.19376	4.4
255.21175	4.8
259.17130	4.5
261.18500	4.4
269.22797	2.0
287.20023	3.9
299.20001	2.5
301.21536	1.7
327.23132	1.8
372.94656	1.7
391.33743	16.7
437.34137	100.0
438.34390	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
54.71587	1.8
55.05507	12.7
57.07075	4.1
60.37962	1.9
67.05496	18.9
69.07065	19.8
75.72332	1.8
78.91772	1.7
79.05479	14.9
81.07047	42.5
83.08632	11.5
91.05474	16.3
93.07033	34.0
93.56651	2.2
95.04967	3.0
95.08598	62.9
97.10178	4.8
105.07022	47.4
107.08585	44.0
109.10144	29.8
111.11649	1.9
117.07005	8.6
119.08572	74.5
119.09430	3.7
121.10127	38.8
123.11699	17.5
125.09605	1.9
129.07004	3.0
131.08553	22.0
133.10115	53.8
135.07986	2.0
135.11662	24.0
137.13251	9.3
137.49312	1.7
143.08557	7.5
144.09323	3.9
145.10106	41.2
147.11668	43.6
149.13252	18.7
153.09091	3.2
157.10120	11.2
158.10875	3.3
159.11685	33.2
160.12433	3.0
161.13231	26.7
163.14844	8.0
165.27138	2.0
171.11729	7.9
173.13231	14.4
175.14821	31.5
177.16364	17.6
179.10687	3.3
185.13284	6.8
187.14832	13.4
189.16370	63.3
190.16699	2.8
191.17943	12.7
193.15947	3.5
196.93748	1.8
199.14796	8.1
201.16370	54.9
203.17949	69.9
205.19470	2.1
207.17453	2.7
211.14847	2.5
213.16359	14.8
215.17940	33.6
217.19478	6.0
221.15402	3.3
227.17934	5.0
229.19496	6.1
235.17047	2.4
241.19540	9.1
243.21155	5.3
247.17036	3.6
253.19464	4.5
255.21072	5.9
259.17041	6.8
261.18469	5.4
267.20972	3.5
273.18552	2.7
287.20013	2.8
299.20029	3.7
301.21426	2.4
313.21603	2.8
321.25525	2.2
391.33521	19.6
392.34277	2.4
419.33023	3.1
437.34131	100.0
438.34485	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	437.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
53.24166	0.5
55.01860	1.1
55.05508	13.0
57.03437	2.7
57.07076	2.3
59.04989	1.5
62.42319	0.5
63.57853	0.4
65.03935	1.9
67.05502	58.6
68.05826	0.7
69.07067	9.8
69.56367	1.9
69.56804	2.2
71.01337	0.5
71.04990	7.6
73.02916	0.6
79.05489	22.8
81.03419	1.0
81.07052	100.0
82.07357	0.8
83.04970	3.4
83.08607	7.6
85.06540	10.0
91.05475	14.2
93.07043	24.9
94.07391	0.6
95.04972	3.0
95.08608	12.0
97.06511	4.1
97.10172	1.9
99.08101	1.3
105.07037	5.8
106.82413	0.4
107.08588	14.5
109.06522	1.7
109.10159	5.4
111.08081	2.5
113.05972	0.6
117.07009	3.2
119.08592	1.3
119.95438	0.4
120.17522	0.4
121.06486	0.8
121.10129	8.3
123.11694	11.5
125.09624	0.8
131.08554	3.1
133.10130	10.9
135.08057	0.6
135.11688	3.6
139.11171	0.9
141.43793	0.4
145.10118	0.7
147.11705	0.7
149.13239	14.4
151.11177	4.9
159.11676	6.4
169.12277	2.2
173.11858	0.6
177.12711	3.7
187.13301	8.6
195.13817	4.4
211.07108	0.4
213.14897	0.7
227.12802	0.6
251.80946	0.5
437.19370	2.6
437.29019	36.4
438.29434	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	436.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.6
70.06581	7.5
71.04996	19.0
71.71310	3.4
75.04475	3.2
81.07059	4.6
83.33666	2.5
85.02877	8.1
94.99213	2.3
103.69025	2.4
105.06384	3.0
105.07004	20.7
107.04922	3.7
113.09650	6.7
133.06461	61.0
137.05960	100.0
139.03909	8.4
145.06084	2.9
163.03857	2.8
163.07559	4.5
165.09108	42.9
172.33275	2.3
175.07425	4.5
179.03342	4.2
181.08549	3.1
183.10143	34.2
189.01932	2.8
195.02924	3.4
200.07585	2.8
203.10771	3.5
210.11249	2.5
221.11761	5.8
233.39769	2.3
239.12787	6.3
257.13812	73.4
274.04800	3.4
299.05423	3.4
311.05637	2.7
437.08508	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	437.1441
Annotation	Pterosupin
Peak:m/z	Relative Intensity
51.02367	0.4
52.11821	0.4
53.03929	0.5
55.01881	1.6
57.03430	0.5
68.99794	0.5
69.79664	1.0
69.80077	1.3
75.81644	0.4
79.05483	1.3
84.68211	0.3
85.02885	2.0
95.04945	1.0
97.02869	0.6
98.12202	0.3
98.20733	0.4
101.60066	0.3
103.03929	1.0
107.04943	100.0
108.05262	1.5
109.02859	0.9
109.85447	0.3
121.06467	0.6
123.04395	1.7
126.76736	0.3
127.03876	0.3
131.04901	0.8
139.03903	2.4
147.04343	0.8
149.05968	1.9
151.03864	4.8
155.70695	0.3
163.03885	1.8
165.05492	1.2
169.04924	1.0
173.05966	0.7
175.03909	1.0
177.05370	0.3
181.04961	4.3
187.03954	0.5
189.05409	0.9
193.04939	7.6
193.58578	0.4
205.04933	2.0
207.06462	1.7
211.05974	5.8
217.05009	1.0
223.06003	0.3
229.04973	1.5
235.05983	6.1
241.04984	1.0
245.04449	0.4
247.06003	3.8
247.08089	0.4
259.05963	2.6
275.09161	2.8
277.06982	1.7
287.09097	5.7
295.08142	1.0
299.09113	4.0
305.05515	0.4
317.10147	6.2
335.09061	0.4
341.10165	7.8
347.09158	0.4
353.10175	8.2
365.10178	3.6
371.10941	0.3
383.11221	2.2
401.12454	1.4
406.48178	0.4
419.89828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.7
55.01862	15.1
57.03418	11.0
61.02926	7.2
65.18038	6.1
69.03426	38.4
69.53239	13.6
69.53646	28.9
70.06580	5.5
71.04964	6.9
73.02922	6.6
81.03401	37.7
85.02894	100.0
87.00809	35.4
97.02879	31.0
99.04437	16.0
99.15693	5.4
103.40553	4.8
105.01863	24.7
105.70767	4.7
107.04932	8.8
108.04453	10.0
109.02876	28.3
111.04427	18.2
117.01782	8.4
126.05580	5.0
127.03910	64.0
129.01839	7.2
135.70093	6.3
139.03882	46.4
139.84016	4.6
145.04884	27.8
158.86061	5.0
159.02901	23.4
163.03955	11.7
171.06532	71.8
189.04012	8.2
195.06535	20.8
213.07527	17.9
231.04987	13.8
237.07562	14.6
245.99405	5.7
248.07512	6.2
261.07663	11.2
277.97476	5.5
279.08649	11.3
307.35016	5.4
390.77298	5.1
397.04379	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	435.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.4
57.03450	2.0
57.07085	3.0
61.31886	2.1
67.05502	25.8
69.07061	17.8
69.45349	4.6
69.45767	17.3
79.05491	15.3
81.03400	3.1
81.07049	32.3
83.04996	4.7
83.08598	13.1
85.06526	3.5
91.05470	22.6
93.07029	11.2
95.04951	8.2
95.08578	14.4
97.10158	12.5
99.08080	2.3
105.07012	8.8
107.04941	4.7
107.08567	9.4
109.06506	3.6
109.10141	6.8
111.11739	5.5
117.07008	3.5
119.04932	27.5
119.08572	6.4
121.10105	8.9
123.11757	3.4
131.08531	4.5
133.10129	7.8
135.11630	6.0
139.11179	3.6
147.04396	100.0
147.11670	4.9
148.04663	3.0
151.11154	4.0
153.12700	2.5
157.10054	2.5
159.11707	3.1
161.13318	4.0
165.05496	13.1
175.14853	2.2
186.40373	2.0
202.95319	2.2
217.19487	9.5
235.20506	11.7
253.21562	6.5
343.22617	8.2
417.26163	3.8
435.27145	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	435.274
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.31961	2.8
55.01858	2.7
55.05519	12.5
57.07070	4.5
65.03913	3.1
67.05496	23.7
69.07064	18.1
69.43604	5.6
69.44016	21.4
70.18314	2.5
71.04981	3.5
79.05489	16.6
81.07051	28.5
83.08609	10.9
89.68169	2.1
91.05467	21.2
93.07050	17.5
94.60540	2.2
95.04958	12.9
95.08580	18.8
97.10157	9.0
105.07013	7.5
107.08579	8.4
107.26051	2.6
109.10145	10.4
111.11727	4.5
117.07018	4.4
119.04911	25.1
119.08581	6.4
121.06519	4.1
121.10168	7.6
123.11689	4.0
125.09661	3.5
131.08522	6.5
133.10104	8.0
135.11694	7.7
137.13223	3.5
147.04399	100.0
147.11621	4.7
161.13254	5.5
165.05518	5.3
169.10114	3.0
171.11638	3.2
217.19536	7.3
235.20625	7.1
253.21725	3.6
265.32397	2.8
343.22623	10.6
361.23929	5.4
417.26331	8.3
435.27423	11.0
435.38687	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	435.2737
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03941	5.5
55.01862	9.2
55.05499	28.4
57.03435	14.1
58.16816	2.4
58.24605	2.2
65.03946	3.0
67.05507	64.2
69.03415	4.3
69.07065	21.9
71.04990	4.4
77.03940	2.7
79.05489	45.0
81.03427	12.8
81.07050	63.2
83.04967	8.1
83.08628	15.8
85.06519	4.1
89.40820	2.6
91.05476	43.8
93.07047	36.2
95.04967	71.8
95.08608	32.1
97.06516	7.7
97.10165	17.4
99.08105	3.8
105.07022	36.9
107.04957	33.3
107.08591	26.7
109.06496	10.7
109.10168	22.6
111.08059	4.9
115.05459	3.2
117.06992	17.5
119.04939	6.3
119.08583	23.2
121.06498	27.5
121.07256	3.8
121.10133	11.6
123.08041	9.0
123.11732	4.1
125.09634	13.6
128.06229	3.8
129.07005	14.8
131.04956	4.2
131.08545	29.0
133.06464	6.5
133.10132	20.9
135.08035	9.3
135.11676	13.1
141.07014	3.7
142.07777	2.9
143.08578	13.3
145.06461	5.6
145.10126	17.3
145.11111	2.5
147.08049	11.7
147.11691	8.8
149.09624	12.3
151.11206	3.5
151.59666	3.0
153.12756	4.4
155.08521	4.7
157.06508	3.7
157.10112	11.8
159.08107	4.2
159.11699	9.1
161.09621	9.9
163.09947	2.5
163.11171	11.5
169.10114	6.9
171.08051	2.6
171.10312	2.5
171.11667	13.7
173.09479	3.1
173.11803	3.6
173.13235	6.1
175.11201	6.6
177.12720	3.7
177.50175	3.0
183.11639	4.8
185.13252	5.1
187.11133	4.4
189.09087	4.6
189.11169	8.4
189.12779	6.8
193.12270	4.9
199.11188	6.2
205.12312	5.5
207.13799	2.9
208.22978	3.1
217.12347	4.0
217.14281	6.2
223.13246	5.0
227.14241	2.8
231.13731	5.0
233.15361	4.3
249.14906	5.8
259.16797	5.5
297.22363	3.5
302.58383	2.7
315.23236	13.1
325.21564	20.4
343.22662	100.0
343.26804	5.9
344.22983	5.2
354.16113	2.5
361.23706	23.3
381.24319	7.2
399.25323	6.9
417.26346	70.8
418.26654	4.0
435.27341	75.7
436.27725	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	435.2529
Annotation	Crinatusin A2
Peak:m/z	Relative Intensity
53.03941	0.9
55.05498	2.7
57.07035	0.9
64.08246	0.8
66.39146	0.8
67.05490	3.8
67.07571	0.9
67.35552	1.0
68.61308	0.9
68.99762	1.6
69.07060	10.3
69.61093	6.9
69.61502	1.4
72.67664	0.8
79.05496	5.1
81.07053	32.8
83.01338	24.7
83.04962	4.4
89.06018	2.2
91.05487	11.4
93.07043	4.4
95.04926	0.9
95.08582	3.3
97.06532	3.7
99.08063	1.8
100.10262	1.0
105.03410	1.4
105.07038	5.9
107.04946	1.9
107.08572	2.6
109.06513	8.8
109.10120	1.6
111.04419	3.5
111.08063	1.2
115.05423	1.9
117.06988	4.3
117.98598	0.9
119.08573	2.2
121.06475	2.1
121.10129	6.7
123.11710	4.7
125.05984	10.0
127.07547	21.4
128.06212	1.3
129.06992	3.8
131.04904	1.2
131.08559	5.3
135.08031	2.7
135.11671	3.6
137.13240	1.5
138.06728	1.3
139.07539	6.2
141.06987	4.3
143.08572	4.4
145.10100	3.4
149.05989	6.4
151.07547	3.5
152.04660	5.0
153.05499	6.0
153.06714	1.3
154.07759	1.0
155.08534	8.7
157.10153	4.4
158.41237	1.1
163.07558	4.8
165.09172	1.3
165.95331	0.9
166.07669	1.0
167.07037	8.6
167.08578	3.1
168.09372	1.4
169.08600	11.8
169.10101	7.2
171.11601	1.9
177.05444	5.0
178.07867	2.1
179.08571	2.7
181.08568	9.0
181.10112	4.4
183.11702	2.8
185.13304	1.6
193.08604	1.4
193.10167	4.0
194.10829	1.1
195.06528	100.0
196.06792	2.3
197.08063	1.5
205.08627	0.9
207.11716	2.0
211.09636	4.2
213.07574	52.0
223.09647	2.5
225.14322	1.5
225.16389	11.3
237.16475	3.2
239.14807	1.1
239.17902	2.9
241.19470	1.7
249.16464	3.5
267.17371	1.1
279.04617	1.1
299.12946	6.4
313.17938	3.6
329.21133	1.6
331.19058	7.4
335.16434	3.3
361.17972	1.3
367.19006	3.0
379.19275	1.7
417.24258	18.6
418.24579	1.5
435.25290	88.6
436.25687	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	435.2528
Annotation	Crinatusin A2
Peak:m/z	Relative Intensity
51.02376	0.4
53.03932	0.7
53.77690	0.3
55.01866	0.6
55.05497	1.2
55.35802	0.3
57.03415	0.3
61.56454	0.3
67.05507	3.8
69.03410	0.3
69.07064	1.7
69.50166	1.4
69.50589	1.2
77.03912	0.5
79.05480	2.1
80.41594	0.3
81.03425	0.6
81.07057	4.0
83.01316	0.6
83.04971	0.6
83.08615	0.6
89.63807	0.3
91.05466	3.5
93.07025	2.5
95.04958	1.9
95.08616	1.7
103.05463	38.4
104.05781	0.6
105.03410	0.4
105.07022	2.2
107.04926	0.8
107.08594	2.2
109.06484	0.6
109.10151	12.7
111.08100	0.5
115.05463	0.6
117.07014	1.3
119.08575	1.1
121.06501	1.2
121.10152	1.2
123.08023	0.7
123.11690	0.5
125.05982	0.5
128.06192	0.5
129.06982	0.9
131.04919	100.0
131.08557	1.1
132.05247	2.7
133.10036	0.5
135.08041	4.5
135.11656	1.2
137.09599	0.4
138.06766	1.4
139.07532	5.5
141.06993	0.8
143.08569	1.1
145.06502	0.4
145.10115	1.1
149.09608	0.5
151.07564	1.7
151.11151	0.6
153.09126	0.4
155.08464	0.6
157.10114	0.7
159.11823	0.4
163.07532	8.0
163.11160	0.7
167.07167	0.5
167.08528	0.4
169.08620	6.3
169.10023	0.8
171.08173	0.3
171.11734	0.6
173.09599	0.5
173.13280	0.4
178.07742	0.3
181.08592	22.5
181.09946	1.0
182.08966	0.7
183.11714	0.4
185.09618	0.6
197.09668	0.4
197.13248	1.4
199.11217	0.8
207.11734	0.6
209.13286	1.0
211.11169	0.4
221.66321	0.3
237.16396	1.0
255.17435	7.0
256.18164	0.3
257.11731	0.8
267.17474	1.5
299.12823	1.3
303.19516	0.6
305.21088	4.8
331.18909	1.4
343.22821	1.4
353.17419	2.0
377.21182	0.4
417.24820	1.1
435.25259	7.2
435.32269	0.7
451.13959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2527
Annotation	Crinatusin A2
Peak:m/z	Relative Intensity
52.25508	0.8
54.38443	0.9
55.05500	2.6
56.84941	0.8
57.07071	0.9
67.05496	4.6
68.99794	1.1
69.03419	1.7
69.07062	18.8
70.95834	0.9
70.96159	2.0
70.98201	0.8
79.05484	6.5
81.07051	32.3
83.01335	27.1
83.04970	9.6
83.08596	1.7
85.06545	0.9
87.59144	0.8
91.05473	20.9
93.07047	7.4
95.08588	4.7
97.06519	4.9
99.08109	1.2
101.97077	0.8
103.05439	1.0
105.03409	1.2
105.07021	7.1
107.08587	4.9
109.06509	10.1
109.10158	2.2
111.04411	2.2
115.05437	4.8
117.07011	14.9
118.41590	0.8
119.08574	3.8
121.06503	2.6
121.10133	3.5
123.08085	1.3
123.11686	1.2
125.05991	10.4
127.07545	20.6
128.06219	1.5
129.07001	7.6
131.08554	4.9
133.10135	2.0
135.07985	2.5
135.11703	1.3
138.06740	1.9
139.07529	8.0
141.06979	3.6
142.07773	1.0
143.08530	7.6
144.08958	1.1
145.10110	5.6
147.11662	1.5
149.05984	6.7
151.07536	3.2
152.04668	5.6
153.05481	7.7
153.06648	1.2
154.07733	1.3
155.08507	3.4
157.10083	6.2
159.11661	1.0
163.07549	5.1
165.06981	2.2
165.09138	1.4
166.07780	2.6
167.07027	7.7
167.08557	3.9
169.08606	7.8
169.10129	5.4
171.11667	14.7
173.13248	1.1
177.05463	5.0
178.07745	1.7
179.08531	5.2
180.03975	0.9
180.09343	1.0
181.08577	12.3
181.10136	9.9
182.10863	2.3
183.11658	2.6
185.13264	3.4
192.09325	2.8
193.08611	1.1
193.10126	5.6
195.06517	100.0
196.06897	2.6
197.13272	1.6
199.11194	1.2
205.08553	1.4
207.11722	5.1
209.11549	1.0
209.13290	2.0
213.07564	45.7
221.93906	0.9
225.16336	3.1
227.17917	3.4
237.16614	1.4
241.19684	1.9
249.16362	7.3
250.17131	1.2
267.17279	1.4
275.12897	2.6
277.14255	0.9
299.12936	1.0
313.17953	3.9
331.19012	2.5
335.16333	1.7
343.26282	3.2
349.17978	7.1
353.21008	1.1
367.19104	7.8
375.19525	2.6
377.21167	7.8
379.19009	9.6
404.62625	0.9
417.24210	68.5
418.24689	5.2
418.29382	1.1
435.25311	91.5
435.30893	6.4
436.25668	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	435.1648
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03924	1.7
53.19812	1.6
55.01872	1.8
55.05495	3.4
65.03941	8.4
65.78874	1.2
67.05498	11.1
69.03416	4.9
69.07062	1.8
71.05003	1.5
71.70910	3.0
79.05497	9.6
81.03419	6.5
81.07040	8.4
82.04202	2.6
83.08616	2.1
85.02898	7.0
91.05483	9.2
93.03390	2.4
93.07026	3.4
95.04965	8.9
95.08604	3.6
97.06548	2.6
105.07034	2.8
107.04942	17.1
107.08594	3.0
108.02122	1.4
109.06564	1.6
109.10170	2.3
110.03675	2.3
111.04427	2.7
111.19768	1.4
115.05424	4.6
117.07018	11.0
117.80014	1.2
119.08569	2.5
121.06464	2.0
123.04414	4.8
124.05205	3.7
125.05994	4.8
127.03940	3.9
128.06290	1.6
129.07033	3.0
131.04924	2.4
131.08565	4.1
133.06488	1.7
133.10161	2.6
135.08124	1.6
135.11710	1.6
137.05991	2.9
138.03146	1.9
141.07022	2.3
142.02608	2.7
144.05696	5.7
145.06464	8.1
147.04358	2.2
147.08067	1.8
149.06015	2.0
151.03917	1.5
151.07559	1.5
153.05469	1.9
157.06418	3.3
159.08049	5.4
161.05949	4.9
162.06825	1.6
163.03824	1.9
163.07489	1.7
167.07037	43.9
169.04933	5.6
171.06575	6.7
172.05150	10.0
173.06003	3.2
181.04948	100.0
185.06006	1.5
187.07512	6.3
189.05556	2.8
191.06999	1.7
191.10693	3.5
200.04671	5.8
201.05426	7.7
205.08578	4.5
206.05779	2.3
218.05765	9.2
219.06435	2.1
219.10168	5.0
221.08086	7.5
233.08084	62.1
234.08598	1.5
235.07564	2.1
235.09702	2.2
245.36122	1.5
251.09157	4.7
263.09183	13.7
263.11713	2.4
273.11282	4.0
277.56104	1.3
283.17575	1.3
307.09775	3.3
343.22626	5.2
355.11661	3.8
356.12244	1.9
367.11856	3.2
368.12552	1.6
372.12616	1.9
381.13690	1.7
384.11719	1.9
387.14417	10.4
399.14407	6.2
417.15421	31.6
417.26266	3.4
435.27539	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	435.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03938	0.8
55.01875	0.2
55.05501	0.6
57.07041	0.1
67.05498	2.0
69.07060	1.9
71.70480	0.3
77.03923	0.4
79.05485	1.7
81.07050	6.9
82.07346	0.1
83.01353	0.4
83.04965	0.2
83.74797	0.2
91.05473	2.7
93.07037	1.1
95.04952	1.8
95.08596	1.9
96.05251	0.1
102.04704	0.2
103.05458	37.4
104.05811	0.7
105.03396	0.4
105.04501	0.2
105.07037	1.2
107.04943	0.3
107.08589	1.1
109.06480	0.8
109.10146	5.9
110.10450	0.3
111.08107	0.4
115.05480	0.4
117.06995	0.9
119.08569	0.4
121.06491	0.7
121.10130	0.3
123.08060	0.4
123.11739	0.3
125.06001	0.2
129.07019	0.4
131.04915	100.0
132.05234	2.3
135.08037	3.3
135.11649	0.3
137.05943	0.2
137.13245	0.5
138.06760	1.0
139.07536	3.9
141.06976	0.6
143.08542	0.5
144.08098	0.5
145.10132	0.6
147.11736	0.2
151.07584	0.9
151.11157	0.6
153.09116	0.2
155.08531	0.4
157.10158	0.5
159.08031	0.2
163.07530	5.5
163.11232	0.3
165.09131	0.3
167.07014	0.6
169.08600	3.3
169.10112	0.5
171.11797	0.2
173.09700	0.3
181.08585	17.1
182.09004	0.4
183.11629	0.3
187.11145	0.2
195.06529	0.5
197.09665	0.3
197.13203	1.1
199.11179	0.4
205.32176	0.2
207.11534	0.2
209.13330	0.2
213.07558	0.2
214.10004	0.3
215.10657	0.4
229.07594	0.2
237.16377	0.5
239.10738	0.3
249.14658	1.2
250.88747	0.2
255.17438	3.6
257.11719	1.0
267.17441	1.2
273.99011	0.2
299.12753	2.9
305.21069	5.2
306.21671	0.2
331.19150	0.7
353.17499	0.9
417.24277	0.4
423.32333	0.2
435.25250	5.9
435.31235	0.3
436.25699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1647
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
50.84612	0.4
68.08037	0.4
68.99758	1.2
69.03400	0.5
70.06562	0.5
71.70602	0.5
85.02855	1.5
91.05451	1.0
91.98741	0.4
94.73630	0.4
103.05446	0.4
107.04921	2.3
109.02834	0.5
117.07003	0.4
119.04929	0.9
131.04880	1.5
131.08505	0.4
131.27335	0.4
135.04395	0.4
139.03899	2.0
145.06459	2.5
147.04395	9.0
155.06009	0.6
157.06424	1.2
159.08057	0.8
161.05908	0.6
163.03899	0.6
165.06934	0.8
169.06470	0.9
171.04396	1.7
183.07993	0.5
187.07672	0.8
189.05363	1.8
201.09109	0.4
228.07770	1.0
229.08582	49.1
230.08920	1.1
255.10153	7.3
273.11197	100.0
274.11591	3.2
289.07089	0.6
435.07465	0.6
435.16525	13.1
436.16754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1646
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
50.18124	0.3
52.11713	0.3
53.03912	0.6
53.25213	0.3
55.01851	0.5
57.03385	1.0
57.61803	0.3
58.73816	0.3
61.02922	1.6
68.99760	0.6
69.03420	6.7
69.60963	2.9
71.04944	0.5
72.38876	0.4
73.02869	0.9
80.19884	0.3
81.03400	1.9
85.02895	7.0
87.04420	0.7
88.63429	0.3
91.05450	0.4
97.02888	2.8
99.04388	0.6
100.11228	0.7
107.04958	2.0
109.02837	1.6
115.05428	0.4
117.06973	0.6
119.04900	1.1
123.04365	0.4
127.03849	1.5
131.04929	0.8
145.04832	0.4
145.06458	1.7
147.04395	9.0
155.06021	0.4
157.06392	0.7
159.08051	0.4
171.04338	1.5
182.15433	0.5
187.07486	0.5
189.05440	1.5
201.09026	0.4
209.16454	0.6
212.08282	1.1
227.10779	2.1
228.07782	0.6
229.08569	31.9
230.08946	1.1
241.08601	2.5
255.10135	11.4
263.66318	0.3
273.11182	100.0
274.11456	4.4
283.09555	0.3
315.12119	0.4
391.13882	1.3
435.16498	18.5
435.33246	0.8
436.17026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11627	0.9
53.03951	1.6
54.17882	0.8
55.01875	0.9
55.05502	2.5
55.45425	0.8
65.03940	5.6
67.01862	1.9
67.05499	2.5
67.06130	0.8
67.70895	0.8
68.99782	1.0
69.03419	3.4
69.80842	5.1
79.05474	5.8
81.03414	3.7
81.07064	1.1
82.04189	1.2
85.02888	4.7
88.62572	1.0
91.05470	4.9
93.07050	0.9
95.04932	5.0
97.02880	1.5
100.11240	5.8
103.05458	1.5
105.07057	1.3
107.04932	10.5
107.08626	0.9
108.02068	1.3
109.06605	0.8
110.03666	3.5
111.04440	2.9
115.05457	2.8
116.06310	1.1
117.07016	4.0
119.04928	11.4
121.02857	1.1
121.06487	2.1
121.10099	1.2
123.00785	0.9
123.04420	4.7
124.05212	1.8
124.73498	0.9
125.06033	2.7
127.03921	3.6
128.07089	1.1
129.06990	1.9
131.04909	1.4
131.08583	2.8
133.06491	1.8
133.31140	0.9
137.06015	1.8
138.03107	2.4
139.03912	2.8
141.06966	1.8
142.02600	2.5
144.05711	3.3
145.06483	7.1
147.04398	41.1
147.08153	0.9
149.06058	1.4
151.03903	1.3
152.04678	1.4
153.01814	75.8
154.02060	1.7
155.04878	1.0
155.07072	1.3
156.05685	1.0
157.06496	1.4
159.08064	2.3
161.05983	2.7
163.03929	1.5
166.02591	0.9
167.07040	33.8
171.02882	3.1
171.06549	5.1
172.05186	7.0
173.06006	3.1
175.07533	2.7
181.04941	61.7
182.05263	1.3
182.15439	3.3
187.07527	4.8
189.05455	3.5
191.06990	2.2
191.10611	1.5
193.08522	1.1
195.02890	1.9
195.06592	2.1
200.04756	2.0
201.05505	3.7
205.08667	2.4
206.05693	1.6
207.10263	1.2
209.16515	1.3
210.14928	2.8
217.08572	1.5
218.05605	4.5
219.10236	3.5
221.08115	4.8
231.06551	1.3
231.10936	0.9
233.08070	42.5
234.08582	1.6
235.09706	1.8
245.08192	1.9
245.83308	0.8
251.09090	2.1
263.06949	1.1
263.09192	7.6
268.21445	1.1
273.07562	100.0
274.07855	2.8
295.09763	1.2
307.09741	1.7
337.10754	1.3
355.11877	3.7
357.13168	1.1
372.12210	2.1
381.13354	1.9
387.14536	5.9
399.14462	3.6
417.15530	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	435.1285
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.05494	6.5
61.02917	1.8
65.03918	2.7
65.99354	1.7
69.03432	5.3
70.06577	3.1
70.08096	11.7
79.05510	2.4
81.03392	2.5
82.06577	2.8
83.04974	2.1
83.08634	4.0
85.02905	10.9
91.05482	4.4
95.04975	2.3
97.02882	4.3
100.07591	2.6
100.11264	15.9
101.36755	2.0
107.04931	5.0
111.04427	5.4
112.07567	1.9
117.07000	1.8
118.93880	2.2
119.04948	11.6
121.02863	3.3
123.04433	4.2
127.03928	2.6
128.07082	3.1
134.12991	1.8
141.11458	3.6
142.27260	2.0
145.06435	2.3
147.04395	38.2
153.01819	86.2
155.07054	2.1
165.01875	6.1
167.06998	5.1
171.02856	3.4
181.04922	17.2
182.15410	10.7
183.02869	2.4
191.03337	3.0
195.02885	13.9
210.14862	13.8
219.02811	6.7
227.17593	2.5
231.02841	3.8
233.08031	11.4
249.03877	2.5
261.03860	3.5
262.14719	1.9
263.09067	2.3
268.21426	3.2
273.07565	100.0
274.07956	3.1
285.07614	5.6
297.07507	2.3
339.08435	3.1
351.08685	2.7
353.75720	4.6
374.26068	1.9
417.15628	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	435.1285
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.41842	0.4
61.02904	0.5
67.01859	1.0
68.99778	1.0
69.03428	1.1
70.44489	1.9
81.03404	0.4
85.02896	1.9
91.05460	3.2
92.08947	0.4
95.04957	1.1
97.02865	1.0
107.04949	1.5
119.04930	9.6
121.02874	0.5
123.04433	3.1
133.06451	0.6
147.04393	34.7
148.04678	1.2
151.03903	0.5
153.01811	70.6
154.02158	1.3
161.05997	0.6
165.01817	1.4
167.07010	0.7
169.12575	0.4
171.02884	3.6
177.01825	0.5
179.03410	1.0
181.04956	1.5
183.02913	0.6
189.05417	1.1
195.02859	2.0
203.87151	0.4
218.60156	0.4
219.02890	0.7
231.02998	0.7
233.08127	1.2
255.06409	0.8
261.04077	0.4
273.07553	100.0
274.07874	4.4
285.07498	1.0
303.04953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
54.21045	2.4
54.91312	2.7
57.03429	8.1
59.38754	2.5
68.99799	3.6
70.74638	5.7
70.74978	3.7
79.91116	2.7
85.02889	17.2
95.04945	3.6
97.02830	2.9
107.04933	3.7
109.02863	4.6
119.04934	6.1
121.02844	12.9
123.04452	5.6
135.04419	3.8
147.04413	17.5
149.02359	3.6
153.01817	7.5
163.03847	6.0
165.01814	43.0
171.02911	4.6
177.01810	15.3
183.02875	22.0
189.01823	8.7
191.03368	23.3
195.02881	100.0
219.02888	36.4
231.02812	29.0
243.02957	8.7
249.03809	13.2
261.03922	24.3
273.07562	9.5
279.05020	7.9
285.07626	32.1
297.07816	14.1
303.04932	15.9
315.08621	10.2
339.08591	27.3
351.08597	22.6
363.08582	9.8
381.09698	9.6
399.10626	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	435.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06437	1.8
57.03430	6.2
58.90932	1.7
65.03908	2.0
66.58774	1.7
68.99810	2.7
70.76595	6.8
76.90523	2.0
81.03437	3.3
85.02900	15.7
87.72478	1.9
95.04922	2.5
97.02892	4.1
109.02894	5.5
119.04919	3.3
121.02869	16.0
123.04440	2.8
133.51244	2.2
141.01793	2.1
147.04381	12.7
149.02319	2.2
153.01830	6.8
163.03896	7.8
165.01799	36.1
171.02925	4.2
175.03952	3.5
177.01825	16.0
183.02875	20.0
189.01804	6.1
191.03372	23.7
195.02882	100.0
196.03322	2.6
203.03369	2.8
207.02821	2.3
217.01442	2.2
219.02893	35.8
231.02849	24.0
233.04376	2.1
243.02852	4.7
248.42699	1.8
249.03894	10.4
261.03891	24.5
268.90030	1.8
273.07651	4.9
279.04971	8.3
285.07553	35.8
297.07779	13.1
315.08551	12.5
316.09180	1.9
339.08588	25.5
340.09052	2.1
351.08548	20.7
363.08740	8.9
369.09799	2.9
373.74655	2.3
381.09659	6.3
399.10617	7.9
400.10950	2.2
434.39557	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	435.1284
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01859	1.2
57.03436	3.4
61.02911	1.7
61.66762	0.4
65.03914	0.6
67.05483	0.4
68.99780	1.8
69.03418	0.7
70.65868	1.0
70.66273	0.8
71.01348	0.5
73.02914	14.4
81.03400	1.9
85.02899	8.6
88.79430	0.4
91.05466	0.8
93.63832	0.4
95.04953	1.3
97.02889	1.2
103.03961	0.5
107.04930	1.3
108.58387	0.4
109.02869	2.5
111.00791	1.6
115.03913	1.3
119.04912	1.7
121.02856	7.4
123.04379	2.5
125.02384	0.9
127.03929	1.0
131.04918	0.6
135.04382	1.0
137.02324	3.4
137.05981	0.6
141.01785	0.7
145.06485	0.4
147.04407	5.2
149.02338	1.0
151.03871	1.0
152.57689	0.4
153.01814	7.0
153.06958	0.7
157.06468	0.6
161.05878	0.5
163.03882	3.5
165.01833	15.9
165.03229	1.0
165.25169	0.4
167.03331	0.6
171.02925	1.1
177.01810	4.0
179.03357	0.6
181.06456	1.4
183.02881	8.2
187.03917	1.2
189.01846	1.9
190.99710	0.5
191.03384	9.3
192.84737	0.5
195.02887	31.1
196.03253	0.7
196.58981	0.5
199.07571	0.7
201.05482	1.9
203.03357	1.5
205.04977	2.3
207.02904	1.3
209.00777	0.6
209.04362	0.7
209.06125	0.6
213.05467	0.7
215.03349	1.3
219.02872	15.1
220.03175	0.5
227.06998	1.5
229.04973	4.9
231.02878	9.3
232.03357	0.6
233.04430	1.4
233.08139	0.5
237.40530	0.4
243.02838	2.2
249.03922	6.4
255.06491	14.4
256.06854	0.6
257.04446	2.8
261.03934	7.5
262.04166	0.5
273.07535	8.6
274.04950	0.6
279.04974	4.1
285.03970	1.3
285.07516	10.0
297.06168	2.9
303.04974	100.0
304.05307	5.3
309.07587	0.6
315.08655	4.2
327.19312	0.4
339.08621	7.9
351.08533	5.8
363.08557	2.0
369.09726	0.7
381.09613	2.6
399.10941	2.3
417.11703	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	434.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.6
57.23475	1.4
67.05486	3.4
69.03433	2.1
69.07053	2.1
74.09695	4.8
79.05505	3.9
81.07038	2.8
83.04952	3.2
85.02906	4.5
87.88664	1.3
93.07041	4.2
95.04955	1.9
95.45804	1.5
99.08111	1.9
105.06990	2.4
107.08601	8.0
111.08086	2.8
113.87073	1.7
119.08556	1.7
121.10126	7.9
123.04395	1.6
123.08079	2.8
130.27510	1.6
131.08607	1.6
133.10118	1.9
135.08046	12.9
135.11684	2.7
145.10118	2.1
147.04359	2.8
149.09581	6.5
162.51671	1.5
163.14746	8.2
167.07025	4.1
173.13277	5.0
181.04930	9.9
181.08598	3.6
182.05389	2.6
191.14296	24.2
195.13777	14.9
209.15364	8.9
219.13788	40.2
233.08125	3.2
237.14841	100.0
238.15237	3.7
255.15875	25.7
299.63043	1.5
348.03568	1.6
357.30243	1.6
404.14441	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	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65170	12.6
57.03439	15.8
67.05489	16.0
70.06554	20.2
71.04989	22.0
71.70998	12.9
71.71423	21.0
79.05506	33.1
81.07026	36.7
91.05473	39.0
93.07037	24.6
95.08599	34.9
95.47764	13.8
100.42832	16.8
103.49311	13.6
104.87269	13.3
105.07027	53.5
107.08569	25.6
109.10087	18.5
120.13880	15.1
123.11639	15.4
125.09618	20.9
133.10124	100.0
143.10657	48.5
145.10092	23.9
153.01880	18.4
167.14287	25.5
181.04912	27.1
219.17418	56.5
237.18460	19.3
271.05994	20.1
272.06323	62.6
416.62897	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0922
Annotation	Tricetin 3'-xyloside
Peak:m/z	Relative Intensity
57.03417	1.5
57.69609	0.6
61.02903	1.6
62.71921	0.5
64.91503	0.6
68.99773	1.7
69.61667	4.0
71.01343	0.7
73.02534	0.9
73.02912	13.3
85.02895	3.8
91.05496	0.6
93.03381	0.6
97.02874	0.8
107.04980	1.0
109.02847	1.0
111.00800	1.6
119.04987	1.1
121.02843	3.3
123.04445	1.7
126.87957	0.5
137.02316	3.4
147.04388	3.3
149.02332	0.9
151.03931	0.8
153.01811	6.5
153.06819	0.8
163.03896	1.8
165.01817	8.2
170.60663	0.6
173.06096	0.7
177.01828	2.2
178.53416	0.6
179.03334	1.1
181.06456	1.0
183.02922	3.5
183.04300	0.7
186.08220	0.6
187.03923	0.7
189.01868	1.2
191.03450	4.1
195.02869	14.6
196.03165	0.6
201.05505	1.6
203.03313	0.8
205.04939	0.9
213.05527	1.0
219.02858	8.8
227.07115	1.4
229.04924	5.3
231.02893	4.9
247.06068	1.3
249.03789	3.3
255.06490	11.5
257.04556	3.1
261.03925	4.4
273.07593	4.1
279.05011	1.5
285.04218	1.1
285.07544	4.6
297.06296	1.1
303.04971	100.0
304.05319	2.9
309.07465	0.6
315.08624	1.9
339.08649	4.0
351.08572	2.1
352.86139	0.7
381.09802	1.5
399.10840	1.4
417.11932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11052	0.9
51.29745	0.9
57.03429	4.1
61.02915	1.5
69.03418	10.0
70.34484	2.1
70.34881	2.7
71.04974	1.8
72.08128	1.0
73.02908	4.2
73.42633	1.1
76.02219	3.3
81.03411	6.5
81.07059	2.4
85.02898	2.6
87.04498	1.0
94.06567	1.5
97.02895	2.4
97.11330	1.0
99.04447	5.9
102.83333	1.0
105.03443	1.6
113.06001	1.1
116.01685	1.5
117.05493	2.9
118.06525	6.5
120.04453	15.1
122.06029	6.5
130.06558	1.6
132.04443	40.5
134.05989	6.0
138.05493	3.2
139.03874	1.5
146.05998	4.2
150.05501	30.1
151.31009	1.1
157.78740	1.2
158.06065	1.7
160.07541	1.3
162.02228	1.8
170.06325	1.2
170.66553	1.0
172.07573	11.0
179.04869	2.9
190.08566	1.7
200.07137	5.4
205.05045	0.9
218.08131	18.3
236.09216	4.8
254.10242	9.0
272.11282	100.0
273.11700	3.7
287.10541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2583
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
55.05493	5.5
56.07177	1.7
58.92707	1.7
65.03926	1.6
67.05145	2.2
67.05502	36.3
69.07053	3.6
70.19717	9.1
72.31377	1.9
77.45005	1.6
79.05473	7.7
81.07044	41.4
83.08600	4.7
91.05467	18.6
93.07040	9.3
95.04990	1.8
95.08591	39.0
97.10170	2.0
98.21432	2.0
98.98468	2.7
105.07009	3.4
107.08595	8.2
109.10151	19.1
111.08106	1.8
112.07767	1.9
119.04153	3.0
119.04932	30.4
119.08531	4.8
121.10131	9.1
123.11696	9.4
123.12429	1.7
133.10110	9.9
135.11703	8.2
136.46545	1.6
137.09573	4.1
137.13248	4.6
144.88977	1.6
145.10080	3.9
147.04395	100.0
147.11615	3.0
147.94646	1.6
149.13274	3.1
151.11151	6.7
154.28186	1.9
165.05444	18.1
165.12836	1.8
169.12245	2.1
173.13254	3.0
177.12617	2.9
195.13759	2.4
215.17909	15.7
233.19063	8.6
251.20067	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	433.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01859	5.5
55.05505	29.4
57.03428	19.9
57.07083	1.4
65.03929	2.4
67.05499	55.7
69.03429	2.9
69.07066	22.6
70.91154	3.8
71.04979	3.2
75.04469	3.1
79.05487	57.2
81.03423	3.5
81.07052	51.0
81.07427	0.9
81.07540	1.5
83.04974	4.0
83.08605	18.2
85.02916	1.9
85.06532	2.0
91.05475	53.2
91.06050	2.6
92.05770	1.6
93.07037	62.1
95.04970	17.4
95.08596	37.8
95.09201	2.5
97.02876	2.4
97.06512	12.5
97.10164	11.7
99.08054	4.1
105.07019	30.8
107.04932	5.8
107.08583	37.2
108.08924	1.6
109.06503	6.0
109.10146	17.6
111.08070	9.2
113.05991	2.5
115.05430	1.4
117.06987	8.3
117.82047	1.3
119.04952	1.7
119.08587	27.4
121.06485	3.8
121.10132	59.6
123.08047	8.0
123.11699	5.6
125.09595	9.5
127.03876	1.8
128.06250	1.5
129.05443	3.9
129.06998	8.8
131.04901	3.9
131.07031	3.6
131.08565	20.9
132.09117	1.2
133.06474	3.1
133.10115	30.0
133.61499	1.3
133.62788	1.4
135.08035	8.0
135.11691	18.0
137.09602	20.8
139.11166	2.8
141.06964	2.6
143.08505	5.9
145.06473	6.0
145.10127	11.6
147.07977	2.2
147.11694	18.1
149.09607	19.3
149.13315	2.7
151.07477	1.9
151.11179	10.7
153.09105	5.1
155.08488	2.1
157.10127	5.8
159.11687	5.1
161.13220	3.1
163.11189	2.0
165.12749	2.8
167.10658	3.9
169.10101	3.6
171.08075	1.5
171.11658	11.4
173.09660	2.2
183.11682	2.0
185.13234	4.0
187.14816	2.3
189.11209	4.1
189.12767	3.8
189.16299	2.1
193.12219	1.5
203.14311	3.8
203.18013	7.3
205.12318	2.3
211.11111	2.7
213.16376	16.3
221.18971	5.1
229.12059	1.9
231.13925	1.7
231.17451	15.9
237.40723	1.6
249.18483	100.0
250.18857	4.8
267.19498	2.7
285.20679	2.7
313.21664	1.7
323.22385	33.0
341.23227	26.6
342.21237	2.0
359.22269	3.0
397.25986	12.7
415.10278	2.0
415.26947	21.7
433.25912	19.9
434.27567	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	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07089	2.6
67.05503	23.6
70.16975	5.3
70.17366	5.2
74.32938	2.3
76.40256	2.6
79.05473	4.9
81.07053	32.1
83.08598	3.0
91.05489	12.9
93.07003	8.2
95.08598	30.9
97.06522	2.5
97.10134	2.1
105.06981	3.3
109.10152	17.4
111.20766	2.5
119.04929	24.4
119.08569	4.3
121.10103	6.3
123.11687	4.3
130.74107	2.6
131.08521	2.3
133.10114	8.8
135.11656	7.9
137.09544	5.0
137.13211	3.7
147.04401	100.0
148.04715	4.0
149.13252	3.8
151.11214	5.1
165.05467	23.7
175.53285	2.2
184.43661	2.2
198.92540	2.8
215.17900	10.2
233.19016	4.8
234.39813	2.4
247.42740	2.4
251.19963	14.6
275.19812	2.7
374.89288	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	433.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01875	8.9
55.05508	35.5
57.03425	8.7
64.34015	1.3
64.93565	1.4
65.03926	2.6
66.12234	1.4
67.05500	40.6
69.03407	4.5
69.07069	10.9
69.56237	11.2
71.04967	3.5
77.03938	1.1
79.05485	48.4
81.03012	1.2
81.03403	8.5
81.07052	32.0
83.04955	5.1
83.08605	12.9
85.06513	2.3
86.06194	1.2
91.05470	39.4
93.07037	33.9
95.04964	31.3
95.08607	16.1
97.06510	4.1
97.10165	23.1
99.08108	1.3
101.09626	1.6
101.16901	1.2
103.05452	3.1
105.03358	2.6
105.07026	23.9
107.04958	16.0
107.08588	20.5
109.02869	1.6
109.06501	5.3
109.10158	7.4
111.08076	1.9
115.05412	3.5
117.07014	17.3
118.62881	1.1
119.04954	1.7
119.08573	12.5
121.06496	20.3
121.10141	16.1
123.08049	7.0
125.09615	13.7
128.06210	3.6
129.05479	2.3
129.06981	22.1
130.07764	1.6
131.04935	12.9
131.07593	0.9
131.08543	26.5
132.05634	1.6
133.06485	11.1
133.10150	8.4
135.04437	1.6
135.08046	10.5
135.11662	1.9
137.09569	2.3
141.06976	8.8
142.07776	2.6
143.08548	14.1
145.06480	20.0
145.10088	14.4
147.04401	1.6
147.08018	9.1
147.11693	3.9
149.09612	21.8
153.06952	2.6
154.07710	2.6
155.08559	9.7
156.09393	1.4
157.06454	4.5
157.10136	7.0
159.08073	8.1
159.11682	8.7
161.09592	4.7
161.13266	2.6
163.11156	4.0
167.08549	3.0
169.10101	15.2
171.08069	7.0
171.10237	2.6
171.11658	18.0
173.09525	6.2
175.11168	3.6
177.12733	2.5
179.08539	2.9
180.09381	1.3
181.10072	3.9
183.08032	3.2
183.11682	4.5
185.09572	3.3
185.13190	3.6
187.11206	11.0
189.09286	2.2
189.11171	10.5
189.12752	12.9
191.10654	1.9
193.12201	2.0
195.11668	3.1
196.08809	1.3
197.09608	4.8
197.13248	3.2
197.99623	1.4
199.11188	3.3
201.12711	1.7
203.10667	1.7
203.14285	1.5
205.12294	9.2
207.11639	1.9
211.11157	7.7
213.12778	3.3
215.14340	1.8
217.49193	1.3
221.13208	1.6
223.13303	5.3
225.12732	4.0
227.12689	3.9
229.12201	5.5
231.13766	2.7
239.14336	3.0
243.13765	5.4
247.13130	1.5
249.14648	1.8
257.15314	3.8
261.14810	1.4
267.15945	3.6
273.14731	3.3
295.20490	3.1
305.18790	2.8
313.21585	7.4
321.16901	2.1
323.20078	25.0
324.20499	1.4
331.22650	2.1
335.18604	1.8
341.21112	100.0
342.21387	3.5
359.22046	8.8
379.22482	1.5
389.23212	1.6
397.23514	1.9
415.24753	36.2
433.25800	65.9
434.26038	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	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96488	1.0
51.02370	1.1
53.03928	4.9
55.01866	8.4
55.05242	1.5
55.05505	29.1
56.29784	1.2
57.03428	7.5
58.55121	1.0
59.04977	1.4
65.03912	1.6
67.05499	39.0
69.03402	4.7
69.03754	1.3
69.07058	10.6
70.36369	1.2
70.74281	2.1
71.04968	3.1
75.04476	1.2
77.03889	1.5
79.05037	2.6
79.05486	44.2
81.03398	7.0
81.07046	32.0
83.04968	6.0
83.08611	15.4
85.02879	1.6
85.06521	3.0
91.05467	39.5
93.07031	30.7
95.04958	30.7
95.08594	20.5
97.02895	1.6
97.06508	4.8
97.10162	19.0
99.08059	1.8
103.05441	7.9
105.03384	3.1
105.07022	30.6
107.04947	16.6
107.08579	19.3
109.02877	1.4
109.06522	5.8
109.10161	8.4
111.08051	3.1
115.05415	2.9
116.06313	1.5
117.07005	16.0
119.04919	2.8
119.08565	13.7
121.06492	14.5
121.10135	15.4
123.04404	1.0
123.08039	6.1
125.09626	19.1
128.06181	6.0
129.05478	2.4
129.06992	25.9
131.04907	24.3
131.08556	27.3
133.06473	9.8
133.10132	7.3
135.04367	2.4
135.07993	8.4
135.11678	3.0
137.05916	2.0
137.09570	2.0
141.06981	7.5
143.08548	12.9
145.05333	1.6
145.06471	22.4
145.10135	10.8
147.04356	1.4
147.08000	9.3
147.11647	3.8
149.09599	21.1
151.03845	1.1
151.07550	1.1
151.11198	1.2
153.06979	1.7
153.09035	3.4
154.07764	1.5
155.08540	9.2
156.80042	1.1
157.06425	4.8
157.10120	6.4
157.44780	1.1
159.08043	8.8
159.11690	10.3
161.09586	4.9
161.13187	3.1
163.11174	5.4
165.06920	2.2
167.03389	26.4
167.08534	3.9
167.10637	1.3
168.09296	1.4
169.06438	1.9
169.10112	12.4
171.08018	4.6
171.10268	1.2
171.11662	15.9
173.09575	6.5
173.13220	2.6
175.11147	3.0
177.12706	2.2
179.08545	4.0
181.04938	2.6
181.10094	3.9
183.08081	2.4
183.11658	4.9
185.09584	4.6
185.13232	3.5
187.11179	10.1
189.09200	2.7
189.11145	11.9
189.12735	13.7
191.10736	1.2
193.10185	1.7
193.12256	3.0
195.11624	4.3
197.09613	3.7
197.13258	3.3
199.11156	5.4
201.12724	3.0
203.10667	1.7
203.14265	1.4
205.12169	4.6
207.11674	1.4
209.13287	1.2
211.11255	7.1
212.11830	1.2
213.12762	2.8
215.10628	3.1
215.14297	1.7
219.58493	1.2
221.13307	1.6
223.11293	1.2
223.13219	5.1
225.12740	5.0
227.12692	5.8
229.12189	5.6
231.13734	2.2
239.14366	1.5
243.13762	5.3
247.13188	1.8
249.14755	1.8
257.15366	3.0
267.15875	3.9
271.09631	53.6
272.10001	4.4
273.14844	3.0
275.16428	1.8
295.20453	3.0
305.18741	3.1
313.18246	1.3
313.21552	7.1
313.49573	1.4
321.16998	1.8
323.20029	20.3
341.21085	100.0
342.21350	3.0
359.21964	8.6
359.25943	2.0
379.22308	1.9
397.23642	2.8
415.24689	34.0
433.25711	58.1
434.25900	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	433.1127
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03426	4.2
69.03397	1.2
70.77248	2.5
71.04987	29.2
85.02895	25.0
87.05326	0.8
94.54536	1.2
121.02836	2.9
121.71550	0.9
129.05469	6.5
137.02385	1.0
153.01807	3.9
165.01791	1.8
213.05478	2.0
287.05472	100.0
288.05826	3.9
299.05667	1.3
316.34360	1.1
329.06479	1.7
353.06540	1.2
393.83566	1.0
397.09030	2.0
437.68530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.243
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
50.10772	2.0
53.03933	6.4
55.01858	6.8
55.05508	35.8
57.03163	3.9
57.03429	36.3
59.61733	2.1
61.02623	4.6
61.02923	91.5
67.05502	53.0
68.45854	2.0
69.03426	36.9
69.07069	25.9
69.93691	13.6
71.01348	4.8
71.04992	17.3
73.02914	33.5
73.06579	2.3
75.04456	3.3
79.05489	27.7
81.03410	25.1
81.07053	91.1
83.04974	7.3
83.08624	15.4
85.02394	4.5
85.02899	84.3
85.06535	8.8
87.04460	6.2
91.03951	45.9
91.05479	32.3
93.07053	26.8
95.04961	7.0
95.08600	100.0
96.08950	2.5
97.02883	61.1
97.06528	19.2
97.10148	7.0
99.04473	11.4
99.08100	7.8
101.02373	14.4
103.03937	9.6
105.07010	29.2
107.04971	5.8
107.08575	15.6
109.02878	13.7
109.06516	3.1
109.10172	12.9
111.08055	8.8
115.03896	4.3
117.05510	2.7
117.06998	5.1
119.08566	30.2
120.35574	2.3
121.06455	2.9
121.10114	12.3
123.08041	4.9
125.06111	2.3
125.09631	5.3
127.03909	30.1
129.05443	8.0
131.08592	2.4
133.10117	28.1
135.11673	10.5
137.05875	2.3
137.09602	4.9
137.13274	9.1
139.68599	2.5
145.04951	11.6
145.06433	2.5
147.06473	2.4
159.06505	3.0
161.13252	61.8
171.06572	2.8
179.14299	48.3
181.04962	3.7
183.06508	8.3
197.15376	6.3
201.07617	6.1
253.17918	15.0
258.79117	2.2
271.19022	93.4
272.19299	2.3
285.07599	6.5
341.21069	6.5
356.17957	2.4
397.21896	3.6
415.24033	4.3
433.10727	3.7
433.24506	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79964	0.4
62.38246	0.4
69.03409	0.7
71.09995	1.0
71.10327	0.5
72.08167	0.5
76.15948	0.4
85.02913	0.7
86.09721	0.4
113.16360	0.4
121.02827	0.7
126.66446	0.4
127.03939	0.4
129.41071	0.4
137.02335	3.1
147.04391	0.5
149.02324	0.8
155.08231	0.4
157.06454	0.8
163.03981	0.5
167.07048	0.5
181.04958	0.9
181.31529	0.5
185.05969	1.0
189.05408	0.6
213.05475	1.9
231.06453	1.0
241.04947	1.5
245.93477	0.6
259.05771	0.5
269.04407	0.6
271.05966	0.8
283.06046	0.5
287.05490	100.0
288.05807	2.8
317.05750	0.5
317.35822	0.5
337.06982	0.5
415.09241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.79964	0.4
62.38246	0.4
69.03409	0.7
71.09995	1.0
71.10327	0.5
72.08167	0.5
76.15948	0.4
85.02913	0.7
86.09721	0.4
113.16360	0.4
121.02827	0.7
126.66446	0.4
127.03939	0.4
129.41071	0.4
137.02335	3.1
147.04391	0.5
149.02324	0.8
155.08231	0.4
157.06454	0.8
163.03981	0.5
167.07048	0.5
181.04958	0.9
181.31529	0.5
185.05969	1.0
189.05408	0.6
213.05475	1.9
231.06453	1.0
241.04947	1.5
245.93477	0.6
259.05771	0.5
269.04407	0.6
271.05966	0.8
283.06046	0.5
287.05490	100.0
288.05807	2.8
317.05750	0.5
317.35822	0.5
337.06982	0.5
415.09241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Isovitexin
Peak:m/z	Relative Intensity
50.52385	0.5
55.01892	0.6
58.08950	0.6
58.83632	0.5
65.81026	0.6
68.99793	0.8
69.94165	1.1
69.94588	2.1
70.11440	0.5
72.33120	0.5
79.17098	0.5
80.06855	0.6
81.03419	0.8
85.02892	2.1
91.05466	0.9
95.04935	0.7
98.20760	0.9
101.62185	0.6
109.02872	1.8
119.04923	3.0
121.02870	10.1
127.00121	0.6
131.04897	0.6
141.01849	1.4
145.02818	3.0
147.04362	1.0
149.02324	1.8
153.01842	0.8
163.03889	3.4
165.01823	14.1
167.03404	2.4
177.01822	1.5
177.05484	0.7
181.04948	0.8
183.02869	5.1
187.03917	2.1
189.01828	0.6
191.03365	1.5
195.02908	2.4
205.04961	1.7
215.03419	0.5
221.04515	0.6
222.66855	0.5
229.04918	0.7
239.06975	2.0
242.05688	0.7
243.03006	0.8
249.04160	0.6
255.06448	1.3
256.07358	1.4
261.03790	0.8
267.06516	8.3
270.05139	2.6
271.05972	6.4
273.03659	0.6
279.06546	1.5
281.08051	8.0
283.05994	100.0
284.06650	13.0
285.07486	1.1
295.05975	11.5
295.09558	2.3
297.07498	4.3
305.08011	3.1
307.05783	2.8
308.06836	2.1
309.04092	1.5
309.07535	21.1
310.07846	0.9
311.05505	1.0
313.07043	65.3
314.07370	3.3
321.07608	3.1
323.05353	1.2
323.09097	15.2
325.07047	0.6
333.07501	3.8
335.05386	0.9
337.07043	36.4
338.07358	1.3
349.07053	10.3
351.08572	3.6
361.07034	7.9
367.08090	22.7
379.08118	17.8
379.13065	0.7
380.08350	0.7
397.09174	20.9
398.09616	0.8
415.10172	12.4
433.11285	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	431.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
55.01857	6.5
55.05513	16.8
57.03432	24.7
61.02922	55.0
65.03931	2.2
66.65913	1.8
67.05500	75.4
69.03427	28.5
69.07072	22.6
70.06583	3.4
70.52187	5.7
71.01343	4.3
71.04980	8.0
73.02910	27.6
75.04500	2.3
79.05485	39.1
81.02953	2.7
81.03416	27.0
81.07049	100.0
83.01351	2.2
83.04970	15.9
83.08610	15.7
84.08142	2.6
85.02898	55.8
85.06530	6.0
87.04438	2.3
91.03944	26.5
91.05463	20.8
93.06444	3.3
93.07034	66.3
95.04946	12.0
95.08592	28.2
97.02885	46.4
97.06516	16.4
97.10129	3.6
98.00237	1.9
98.98451	1.7
99.04441	8.8
99.08073	4.5
101.02377	14.1
103.03921	9.2
105.07031	10.7
107.04950	5.2
107.08588	31.9
109.02864	18.0
109.06506	3.4
109.10158	3.0
111.04446	4.0
111.08073	12.3
112.80583	1.8
113.05978	2.8
113.09659	2.0
115.03947	4.2
117.05440	2.6
117.06980	9.5
119.08578	3.7
121.10123	27.3
123.04356	2.2
123.08044	2.2
123.11707	3.9
125.09734	2.2
127.03902	31.7
129.05472	4.6
131.08562	13.1
133.10123	11.5
135.07976	2.3
135.11676	18.5
139.03841	2.6
139.11171	3.8
145.04930	8.8
147.04401	2.3
147.11624	2.4
149.09671	2.3
149.13246	71.3
150.13625	3.1
151.07547	2.1
151.11145	2.2
153.01851	4.7
159.11693	28.3
165.12775	2.3
177.12724	21.1
183.06587	6.2
195.13795	47.2
201.07637	6.0
213.14819	5.3
226.03511	2.2
267.16150	1.9
269.17447	89.6
270.17780	3.8
287.05493	9.6
287.55154	1.8
297.17007	5.8
311.18558	6.5
318.03625	3.6
319.04498	6.0
343.09808	3.7
353.19287	2.4
377.19360	2.8
398.05045	2.0
408.83243	2.3
413.21402	5.3
431.09686	12.6
431.22647	8.4
431.32007	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	431.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30339	0.7
57.03423	2.0
61.02923	1.7
69.03437	3.9
71.05177	1.8
75.04467	0.8
84.13943	0.7
86.33134	0.8
91.05775	2.8
98.98460	1.1
99.04436	0.8
120.08115	1.4
129.52322	0.8
139.03900	1.3
145.07544	0.9
153.01772	1.7
159.09219	2.7
160.09952	24.2
160.11287	1.4
161.10782	5.7
163.03929	1.0
173.10724	10.5
174.11447	1.8
175.08670	1.0
176.09363	0.8
185.10791	1.4
187.08672	3.8
189.10217	68.0
190.10474	1.1
197.10764	0.9
201.10173	1.3
203.11848	1.2
213.10300	1.0
215.11824	2.3
219.11314	8.3
225.10260	1.7
231.11446	0.9
243.06540	1.0
243.11325	2.9
261.07736	1.2
279.13348	1.1
305.14890	0.9
307.16534	2.2
319.16397	0.9
321.14694	0.9
323.15988	64.9
324.16391	1.7
349.17545	1.9
353.17053	11.2
361.02670	1.6
365.17209	1.3
367.18250	0.8
377.17072	2.8
395.18216	1.8
413.19125	19.1
431.20242	100.0
432.20752	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	431.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48267	2.3
51.01053	2.2
53.03936	9.1
55.01854	6.9
55.05509	17.6
57.03428	29.3
61.02921	70.7
62.47552	2.7
65.03924	2.6
67.05498	84.9
69.03061	2.8
69.03419	35.1
69.07059	31.8
70.64225	10.2
71.01345	5.8
71.04967	8.4
73.02598	2.5
73.02914	26.4
79.05483	46.9
81.03406	23.5
81.07048	100.0
83.04982	13.3
83.08617	20.2
83.13439	2.6
85.02402	3.9
85.02895	60.7
85.06548	5.8
91.03949	37.0
91.05463	25.7
93.06444	4.2
93.07034	75.1
95.04949	10.7
95.08601	28.2
97.02886	52.0
97.06525	20.8
99.04447	16.5
99.08074	6.1
101.02352	16.0
103.03969	6.5
105.07012	10.1
107.08586	44.0
109.02869	19.6
109.06514	4.2
109.10131	4.9
111.04462	3.1
111.08063	12.2
115.03899	5.3
117.06985	10.4
119.08585	4.8
121.10126	27.1
123.11637	3.1
127.03911	36.2
129.05461	4.2
131.08549	19.1
133.10129	10.4
135.08049	2.8
135.11673	19.8
139.11176	4.9
145.04935	8.3
149.13240	93.3
150.13667	3.1
159.11710	33.3
165.05525	2.6
177.12708	19.4
183.06541	7.9
195.13797	51.7
201.07549	5.2
204.91118	3.0
213.14867	7.9
239.42207	2.4
269.08005	7.8
269.17450	92.6
270.17728	4.7
271.51169	2.6
297.16962	6.4
311.18423	6.4
343.95706	2.8
377.19626	3.1
413.21567	6.0
431.22635	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	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05507	2.4
57.07070	17.8
57.73127	3.0
67.05511	3.2
69.07047	3.2
70.02825	5.3
70.03242	7.7
71.08623	11.5
71.60633	2.1
81.07051	6.7
83.08607	3.7
85.10183	7.5
93.07005	2.9
95.08595	7.2
105.07020	3.6
107.08582	6.6
109.10130	5.4
119.08652	3.6
121.10120	4.9
131.08456	2.6
133.10092	3.0
135.08044	4.4
137.09587	12.2
149.09601	16.9
151.07526	3.1
159.11720	3.2
163.11180	18.9
165.09097	100.0
166.09460	2.5
175.11151	4.4
176.08383	3.1
177.09004	13.6
177.12823	2.9
187.11119	5.1
191.10550	11.8
201.12823	2.4
205.12212	9.7
219.13855	4.0
241.24994	2.7
279.17798	2.3
410.34030	2.5
429.37161	22.2
430.38013	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	431.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	45.8
61.02911	2.1
69.03416	4.3
71.70134	2.0
71.95263	1.8
84.96024	17.5
85.02898	12.2
91.05778	2.3
97.02879	5.9
98.97575	100.0
101.00852	2.4
103.00882	1.3
109.98759	1.5
110.97556	23.9
112.99114	5.1
116.98615	58.6
119.01911	10.5
124.99087	3.2
127.03877	2.8
128.98595	33.6
131.00140	6.8
134.99644	23.4
136.06149	1.5
140.00148	2.4
140.98553	3.8
143.00145	12.9
144.98090	4.6
145.04941	2.1
146.99644	21.1
149.01163	5.1
150.05492	1.8
152.98495	1.5
153.01823	6.5
157.03580	1.7
158.01222	2.0
158.99648	14.3
161.01208	30.5
162.99103	4.4
164.98590	1.5
165.00760	2.1
168.99818	1.9
170.99600	9.5
177.00722	17.2
179.02237	9.2
182.99635	4.2
184.02733	1.8
184.59099	1.4
189.00703	11.4
189.02234	2.3
193.00128	2.9
194.99678	3.5
195.01744	2.3
201.00691	20.6
204.08562	1.7
207.01723	2.8
208.97665	3.9
211.00851	9.8
213.00682	5.2
215.00368	6.2
219.01740	66.6
226.98584	6.0
227.00372	4.2
229.01921	9.7
233.01369	1.8
237.02814	85.8
241.00056	1.9
242.03358	3.2
244.99672	32.7
245.01950	3.0
247.02997	19.5
253.01886	2.3
255.03879	6.7
260.04349	3.8
261.02765	21.0
261.05789	1.7
261.06375	1.5
263.00742	39.7
268.27512	1.4
269.07767	4.1
271.02911	1.9
278.99658	1.6
279.00507	1.6
279.03885	25.3
281.01324	1.9
287.00717	11.7
294.73596	1.7
297.00946	3.0
299.02557	1.7
301.04031	2.3
302.05365	2.3
305.01947	4.2
305.06531	1.5
311.00650	3.3
313.02344	2.1
315.02097	2.7
323.00577	11.4
329.01825	3.5
331.03378	2.4
341.01871	3.7
343.01376	3.7
343.05139	2.9
353.01971	2.3
357.03168	6.9
371.02802	40.2
375.04150	12.1
389.03885	70.9
399.04202	2.8
412.05444	6.0
421.81552	1.7
431.04999	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	429.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05508	6.1
57.07070	0.7
59.13725	0.6
67.05498	8.3
68.99784	1.2
69.03383	1.3
69.07059	4.4
79.05467	4.1
81.07054	15.1
83.01360	5.0
83.04971	1.3
83.08620	3.2
89.51344	0.6
91.05460	13.0
93.07043	11.2
95.04960	2.3
95.08601	16.1
97.02886	0.6
98.21551	1.5
103.05459	11.2
104.96256	0.6
105.03381	0.7
105.07023	18.6
107.04923	0.9
107.08585	7.9
109.06507	2.6
109.10151	11.1
111.04443	1.3
111.08074	2.1
115.05433	0.9
117.06993	1.7
119.08579	15.5
121.06499	1.6
121.10141	8.6
123.08045	1.9
123.11679	3.2
125.05960	1.7
127.07561	2.9
129.06999	1.7
131.04922	23.7
131.08539	1.9
133.06483	1.3
133.10117	8.7
135.08038	3.9
135.11703	3.5
137.05969	10.0
137.09610	0.8
137.13292	0.9
139.07510	4.2
143.08545	1.2
145.10106	2.1
147.11676	10.7
149.05942	0.7
149.13255	1.2
151.07484	4.0
152.04700	1.0
153.05498	1.1
153.09084	1.9
155.07022	0.9
157.10106	1.3
159.11708	2.0
161.05972	2.0
161.09618	1.4
161.13266	7.8
163.07504	5.7
165.09099	0.8
167.05701	0.7
167.07043	2.1
168.07861	0.9
169.08601	8.3
169.09950	0.9
173.09650	1.0
175.11240	2.0
175.14821	1.4
177.09163	1.0
177.65565	0.6
179.07027	8.3
179.10612	1.0
181.08578	12.2
187.11200	1.4
189.09050	3.6
191.07005	1.6
191.08568	7.6
191.10492	1.5
195.06529	8.9
195.10097	0.9
196.10378	0.7
197.13260	0.8
201.16365	0.7
203.10768	1.1
203.17949	21.2
205.06429	0.9
207.06514	26.7
207.09981	3.4
208.06686	0.8
209.08081	3.8
209.11636	1.3
213.07526	3.7
215.08611	1.7
215.10612	0.9
217.08559	1.2
218.07405	1.1
218.09303	5.8
219.08076	27.9
219.10156	3.6
220.08466	1.8
225.07556	9.7
231.10170	1.1
232.10915	4.0
233.11684	9.3
243.17464	0.8
245.11737	1.8
255.17419	1.0
258.95261	0.8
259.13248	1.0
261.09143	2.2
268.14691	0.8
273.14844	1.1
283.16910	0.9
299.12708	1.0
301.17862	3.9
315.19559	0.9
327.19653	0.9
329.17389	1.0
347.69592	0.6
359.12750	1.1
383.25797	100.0
384.26059	4.6
393.24216	1.5
411.01425	0.9
411.16104	1.9
411.25299	15.6
429.16919	2.8
429.26276	12.9
430.17444	0.7
443.29520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2634
Annotation	Graviphane
Peak:m/z	Relative Intensity
53.03943	1.4
55.01870	1.6
55.05499	9.1
55.47313	0.9
57.07065	1.9
65.03940	1.6
67.05489	8.6
68.99780	4.7
69.03416	3.4
69.07059	9.5
70.50931	2.6
72.11491	0.9
77.03949	1.0
79.05481	12.0
81.03401	4.0
81.07053	18.4
83.01336	7.0
83.04972	1.9
83.08613	7.6
91.05427	12.5
93.07033	17.2
95.04952	3.4
95.06171	1.0
95.08595	24.1
97.02869	2.1
97.06529	1.3
97.10171	2.1
103.05444	4.5
105.06353	2.0
105.07024	27.1
106.07365	1.2
107.08583	17.9
109.06509	4.7
109.10140	13.1
111.08098	7.5
113.00034	1.4
114.07414	1.0
115.05442	2.2
117.06992	4.5
119.07751	2.0
119.08568	25.5
121.06484	2.5
121.10129	11.8
123.00827	2.4
123.08064	3.6
123.11693	3.8
125.06011	2.2
129.07010	2.0
131.04913	9.4
131.08556	6.8
133.06447	3.0
133.10112	16.7
135.08051	9.0
135.11679	9.5
137.05963	36.9
137.13228	2.0
138.06700	1.5
139.07550	8.6
142.07770	1.5
143.08543	3.3
145.06488	1.5
145.10106	8.5
147.04396	3.1
147.08009	2.1
147.11664	30.5
149.02373	1.4
149.09622	2.0
149.13240	7.4
151.03868	1.2
151.07541	7.2
153.09103	1.5
155.07179	1.3
155.08521	1.5
157.10078	2.8
159.08061	2.3
159.11667	6.5
161.05981	7.3
161.09610	2.6
161.13211	10.7
163.07536	10.9
163.14809	1.7
165.05453	6.7
165.09200	2.0
167.05704	1.5
167.06946	5.1
169.08582	6.7
169.10088	3.7
171.11691	2.0
173.09619	3.4
173.13269	3.4
175.07539	1.6
175.11287	1.4
175.14806	3.8
177.09193	1.3
177.16385	2.9
179.03497	1.8
179.07019	25.1
179.08499	2.1
179.10527	1.2
181.08580	26.7
181.10152	2.1
183.11703	3.0
185.13260	2.8
187.11220	3.1
187.14845	5.3
189.05441	4.6
189.09113	4.1
191.07030	4.2
191.10692	1.8
193.04947	2.1
193.08467	1.2
193.10152	1.3
193.12233	1.7
195.06427	1.6
195.10199	2.3
197.13278	1.6
201.12730	2.4
201.16478	2.4
203.07056	2.0
203.10663	1.2
203.17928	37.7
205.19449	1.8
206.05612	1.3
207.06516	100.0
207.09885	11.2
208.06856	4.1
209.08098	9.8
209.11690	3.4
211.13235	2.8
213.16434	1.4
215.17992	1.9
217.08467	1.2
219.08063	1.6
219.10121	2.7
221.08127	1.5
221.11703	1.5
225.07565	22.9
225.16391	3.3
229.12196	1.5
235.09483	1.8
239.17903	1.3
243.17473	4.5
247.09677	1.9
247.13301	1.2
249.07571	20.0
253.12291	1.3
257.11880	1.2
257.19025	2.5
259.13284	1.7
261.08966	2.0
267.17395	1.6
285.18365	1.9
289.14301	1.7
325.14209	3.0
327.19492	1.5
329.17484	2.0
337.17639	1.4
341.21118	1.8
355.18787	1.4
359.02881	1.8
365.24585	2.6
383.16632	1.4
383.25790	24.6
393.24243	16.3
411.25259	39.3
412.25500	2.6
429.20752	2.7
429.26074	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	429.263
Annotation	Graviphane
Peak:m/z	Relative Intensity
53.03934	9.9
55.01863	5.1
55.05503	26.9
57.03422	10.0
57.07070	3.4
67.05492	39.4
69.03423	23.0
69.07059	34.1
70.43747	14.3
71.04972	6.4
79.05496	31.2
81.03408	66.1
81.07046	65.0
83.01334	15.5
83.04972	20.4
83.08616	16.1
85.02912	16.6
90.17367	3.5
91.05454	42.2
91.73608	3.2
93.07033	55.5
95.04963	20.4
95.08601	62.2
97.02892	41.8
97.06519	7.2
97.10136	5.9
99.04442	5.6
100.48516	3.1
103.05499	4.5
105.07020	100.0
107.04872	3.5
107.08580	47.5
109.02872	9.4
109.06483	4.9
109.10134	48.3
111.04452	6.8
111.08076	9.1
117.07037	5.5
119.08572	80.9
121.06447	3.0
121.10141	38.1
123.11694	24.6
127.03912	8.2
129.07008	7.2
131.04900	7.2
131.08565	13.0
133.10112	60.1
135.08006	9.4
135.11711	18.3
137.05998	4.2
137.13254	9.0
139.07513	13.2
143.08557	4.4
145.08969	3.5
145.10103	12.9
147.08034	4.1
147.11668	95.0
149.02295	4.8
149.09618	5.9
149.13237	8.9
157.10132	12.1
159.11607	7.0
161.13232	27.9
163.07501	15.5
165.09068	5.8
171.11687	4.4
172.95708	3.9
173.42804	3.7
175.11195	19.0
175.14819	10.1
181.08577	61.0
183.11758	4.4
187.11157	4.7
191.10710	7.8
193.04971	3.8
193.08727	3.1
193.12244	48.5
197.13162	4.4
203.17953	69.6
209.08049	48.9
211.13281	89.4
212.13457	3.7
213.81311	3.0
227.09094	36.4
229.19342	4.7
233.11690	5.5
247.13432	3.7
249.07652	4.8
249.14969	4.9
257.18799	4.2
277.10715	4.0
285.16943	5.3
303.19629	3.7
355.17749	4.8
359.03027	3.6
385.27762	16.4
411.25214	12.2
429.21048	35.4
429.26312	53.1
429.31784	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01860	6.6
55.05500	9.4
57.03435	11.5
58.18298	3.0
67.05485	11.9
69.03426	93.7
69.07065	3.9
69.37774	23.2
69.38207	13.4
70.06583	6.0
71.04987	6.2
73.04765	3.1
75.73130	3.0
79.05486	16.1
81.03411	62.7
81.07056	18.6
83.04964	19.5
83.08614	11.9
85.02901	16.8
86.09707	4.5
91.05448	12.1
91.05836	9.6
93.07028	9.4
95.04955	15.3
97.02887	35.2
98.20737	5.2
99.04420	6.1
105.07034	12.8
107.04952	12.6
107.08559	6.5
109.02866	10.8
109.06509	6.5
111.04455	25.8
111.08069	7.3
117.46992	3.1
119.08584	10.9
121.06485	4.0
121.10133	5.4
124.94380	3.0
127.03905	11.1
129.07007	7.8
133.10114	6.5
141.01785	5.6
143.03394	3.4
145.10164	3.8
147.04411	4.7
147.11708	12.5
153.01826	37.3
157.10080	5.4
158.22792	2.9
165.01834	13.5
165.12788	6.9
167.05559	10.2
167.06949	3.1
175.11192	11.3
177.01871	4.3
177.05472	3.5
179.03419	5.5
191.10616	4.0
193.12236	41.9
201.05478	7.8
203.03481	6.7
211.13297	69.0
219.02852	4.6
224.15201	3.4
246.11130	4.0
249.14984	4.7
257.04593	3.8
259.06104	3.8
267.15961	5.6
285.16907	13.6
318.03406	4.5
319.04498	5.6
321.02219	4.0
331.04449	100.0
332.04810	6.2
343.04514	13.8
355.04425	9.3
357.06146	5.4
359.03021	9.9
359.07550	6.6
361.05313	4.9
367.08002	3.7
369.06046	14.5
383.07556	16.5
385.05563	25.1
387.07101	8.9
411.07083	81.5
411.20197	3.7
412.07315	9.8
415.25467	3.6
429.08215	71.4
429.21106	56.8
430.08673	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
55.01863	4.0
55.05504	10.0
57.03434	15.7
58.00809	1.9
61.02909	2.6
65.43971	2.0
67.05505	12.4
69.03427	30.4
69.07059	4.2
69.76518	1.8
71.04978	5.5
71.71965	1.8
79.05471	11.1
81.03416	80.7
81.03897	3.8
81.07050	15.3
83.01315	2.3
83.04973	22.2
83.08617	18.3
85.02891	22.8
87.04427	1.9
87.69521	1.9
91.05432	12.6
93.07038	6.9
95.04955	15.0
95.08596	5.8
97.02882	50.9
97.10201	4.1
99.04447	6.9
101.53941	1.5
103.05461	2.0
105.07041	11.8
107.04957	4.1
107.08580	5.7
109.02872	10.9
109.06527	3.6
109.10165	2.8
111.04427	7.4
111.08062	8.9
111.08789	1.6
113.05975	1.7
119.08552	10.3
121.10121	4.9
121.57549	1.9
123.11719	2.8
127.03896	12.1
129.05479	6.1
129.07024	6.1
131.04904	2.6
131.08557	7.2
133.06468	2.9
133.10095	4.8
135.11691	2.0
142.07712	2.4
145.10078	2.4
147.11690	15.1
147.80345	1.5
149.09587	3.0
156.17001	1.7
156.83452	1.5
157.10130	9.5
158.38316	1.7
163.11201	2.5
165.12732	4.3
175.11209	11.8
181.12296	3.6
183.06491	2.0
191.10683	4.1
193.12238	52.8
211.13275	100.0
227.12807	5.7
229.14352	3.8
249.14894	6.8
285.16928	7.7
337.16541	2.3
355.17435	6.3
411.20230	2.4
428.37292	2.0
429.21237	51.3
429.30374	2.2
430.21292	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
55.01867	3.7
55.05508	12.1
57.03428	16.9
57.07069	1.5
61.02925	1.5
67.05496	14.5
68.63676	1.2
69.03422	30.9
69.07052	4.5
69.71036	9.4
71.04996	8.2
73.02915	1.8
79.05492	13.0
81.03410	80.7
81.07045	19.1
83.04971	26.2
83.08610	17.6
85.02900	21.8
87.04446	3.5
91.05450	14.5
93.07023	8.8
95.04960	18.1
95.08602	7.1
97.02881	47.6
97.06519	3.0
97.10161	4.0
98.21513	2.7
98.98563	1.3
99.03044	1.3
99.04446	9.2
99.08103	1.9
103.05495	1.3
105.07025	15.9
107.04951	4.8
107.08608	7.1
109.02866	13.5
109.06509	3.7
109.10133	4.4
111.04459	6.7
111.08047	9.7
112.60619	1.2
114.11092	1.1
117.07048	1.7
119.08565	14.3
121.10140	7.1
123.08060	2.3
123.11700	1.5
125.09597	1.8
127.03902	14.6
129.05460	7.3
129.07007	5.2
131.04906	1.8
131.08562	6.7
133.06474	2.6
133.10150	5.9
135.08093	2.0
135.11702	2.6
137.05989	2.6
137.09573	2.0
142.07732	2.0
145.10124	3.2
147.11681	14.6
149.09610	4.5
153.12776	2.1
157.10127	9.0
161.13197	1.3
163.11194	1.8
165.12741	4.1
175.11143	12.5
175.14980	1.2
181.08659	3.1
181.12184	2.3
191.10661	2.3
193.12222	57.6
203.17929	3.9
207.06627	2.8
209.08109	2.1
211.13269	100.0
211.46707	1.2
212.13680	3.3
227.09238	1.8
227.12843	4.6
229.14404	3.6
249.14856	6.6
285.16980	8.3
337.16153	1.9
355.17511	6.4
383.25916	2.3
411.20215	2.6
411.25327	3.6
429.21179	59.7
429.31302	14.7
430.21506	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.0
55.01886	4.1
55.05503	14.5
56.96561	3.3
57.03433	23.2
57.58589	2.2
61.02920	5.1
62.40424	1.9
67.02127	1.8
67.05495	17.2
69.03430	40.6
69.07062	7.9
69.97820	3.7
69.98212	6.6
71.05004	8.2
73.02918	4.5
79.05485	16.0
81.03410	95.3
81.07050	21.2
83.01353	1.8
83.04965	22.5
83.08617	20.5
85.02900	31.6
87.04415	1.9
91.03960	3.6
91.05394	16.5
93.07043	14.5
95.04963	20.6
95.08585	6.1
97.02888	61.1
97.06534	5.4
97.10160	6.2
98.97544	2.1
99.04468	10.0
99.08177	2.3
100.11231	2.8
105.07033	14.0
107.04943	4.4
107.08574	6.0
109.02853	16.7
109.06546	4.0
109.10126	4.8
111.04441	11.5
111.08076	11.8
111.48595	2.0
115.05464	2.7
117.06998	2.1
119.08590	14.9
121.10150	8.9
123.08060	3.2
123.11694	2.8
127.03918	13.6
129.05463	5.8
129.06975	4.9
131.08549	7.3
133.06531	3.0
133.10117	7.4
135.08099	2.3
135.11630	4.0
147.11655	15.0
149.02364	7.8
149.09630	8.3
157.10069	10.4
165.12700	4.1
167.05562	4.3
175.11177	11.8
181.12141	3.6
191.10674	4.8
193.04990	7.4
193.12228	64.3
194.12672	2.6
209.11427	2.1
211.13287	100.0
212.13715	3.7
227.12756	5.9
229.14276	3.6
249.14920	5.5
255.09081	4.0
267.12674	2.2
267.15839	4.6
269.12695	2.6
285.16962	7.6
316.11954	2.9
323.10709	4.0
348.15085	6.7
355.17374	5.9
359.02863	5.9
395.39624	2.1
406.86523	2.5
411.20139	2.2
429.11618	5.9
429.21292	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41122	2.1
53.03936	12.6
55.01864	3.6
55.05505	13.5
57.03435	17.6
67.05495	20.5
69.03421	36.2
69.07063	9.6
71.01356	2.4
71.04986	14.0
71.70610	2.7
73.02916	2.4
73.47637	1.9
79.05486	20.1
81.03408	96.1
81.07044	30.1
83.01347	8.1
83.04971	28.7
83.08608	17.9
85.02896	22.6
87.04458	2.9
88.07650	3.2
91.05445	22.5
93.07031	14.9
95.04958	23.9
95.08588	16.9
97.02889	52.2
97.10146	5.0
99.04462	7.6
105.07024	25.8
107.04942	4.8
107.08586	14.6
109.02879	15.5
109.06521	4.1
109.10156	9.5
111.04442	10.9
111.08081	9.0
115.05484	4.0
117.06978	2.8
119.08559	19.7
121.10159	9.7
123.00737	2.8
125.09606	2.0
127.03924	12.8
129.05518	5.1
129.06943	9.9
131.08563	9.5
133.10121	16.1
135.11690	3.5
137.05934	2.5
137.09599	2.7
145.10094	6.1
147.04382	3.2
147.08014	5.4
147.11647	25.1
149.09595	5.1
153.12724	2.2
157.10081	12.2
161.05986	9.7
163.07555	3.0
163.11183	3.9
165.05484	8.8
165.12714	4.1
169.08644	2.4
175.11139	13.3
181.08624	11.1
181.12180	3.1
191.10634	4.2
192.82356	2.1
193.04965	5.9
193.12222	63.1
195.06557	3.9
203.17943	11.7
207.06482	3.9
209.08075	7.7
211.13274	100.0
216.09317	2.1
221.08092	5.2
222.55438	2.2
227.09035	5.5
227.12701	5.0
229.14392	5.6
249.07597	34.7
249.14899	3.9
256.26578	2.6
267.15933	3.2
285.16843	10.1
337.16360	2.8
355.17599	7.5
359.02792	3.2
429.21182	52.3
429.26169	4.5
429.31677	6.2
429.37543	3.0
430.22125	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
53.32921	1.9
54.94986	2.2
55.05513	11.7
57.03434	17.4
59.45790	2.4
67.05508	14.7
68.38174	2.1
69.03427	35.3
69.07054	5.8
71.04992	6.7
73.02901	4.3
79.05495	15.1
81.03415	81.3
81.07047	17.2
83.04968	18.8
83.08625	18.9
85.02897	22.1
87.63554	2.4
91.05436	16.2
93.07037	8.8
95.04961	17.5
95.08604	7.6
97.02892	53.1
97.06519	2.5
97.10201	2.9
98.21499	3.9
99.04475	5.0
105.07030	18.3
107.04963	3.0
107.08590	5.4
109.02882	15.4
109.06525	4.2
109.10145	6.2
111.04446	8.5
111.08059	9.1
119.08569	13.1
121.10148	6.8
123.08012	2.4
127.03941	13.1
127.61487	2.5
129.05469	8.5
129.06987	7.9
131.08559	6.9
133.10100	3.0
141.35464	2.8
145.10176	3.6
146.73419	2.3
147.11674	15.5
149.09621	6.7
153.12653	2.4
157.10118	11.2
163.11162	4.3
165.12762	2.8
175.11145	12.5
181.12082	2.4
191.10667	4.6
192.64543	2.2
193.12222	57.5
200.20038	3.0
211.11270	5.4
211.13281	100.0
211.15218	5.3
212.13730	2.4
227.12679	5.4
229.14360	6.7
249.14883	5.0
267.15903	3.2
285.17004	7.6
355.17599	5.0
359.03366	2.4
411.20084	3.1
429.12042	5.1
429.21225	61.9
429.31580	8.1
429.37360	3.4
430.21469	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3931
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03932	2.5
55.05503	19.2
57.07077	11.6
59.04983	3.7
59.17134	1.2
64.42485	1.2
65.03909	2.0
67.05497	30.4
69.03416	1.4
69.07063	51.9
69.46831	9.1
69.47245	3.4
71.04984	3.2
71.08636	3.1
79.05482	17.3
81.03412	2.1
81.07050	100.0
82.07402	1.6
83.08611	18.7
85.06494	1.6
89.33452	1.3
91.05473	9.5
93.07040	42.7
95.08598	94.2
97.06513	2.8
97.10151	12.8
99.08073	2.1
105.07017	19.9
107.08585	47.7
109.06509	3.2
109.10147	77.1
110.10480	2.3
111.08090	2.8
111.11710	9.0
113.09644	2.0
113.69217	1.4
114.30670	1.3
119.08568	23.9
121.10136	41.0
122.10477	1.9
123.11700	43.6
125.09592	2.9
127.11226	1.7
131.08546	5.1
133.10120	17.5
135.11678	29.9
137.13235	27.0
139.11145	1.7
145.10107	6.0
147.11668	21.8
149.13249	26.7
151.07539	2.2
151.11151	4.8
151.14775	8.1
153.12756	2.6
159.11713	7.0
161.13266	14.7
163.14825	20.7
165.16405	3.2
171.11702	1.7
173.13297	5.8
175.14789	10.5
177.16394	15.6
179.14297	2.2
179.17952	2.2
187.14812	5.1
189.16374	10.5
191.17967	11.6
193.15915	1.5
194.74431	1.3
201.16367	5.0
203.17924	12.1
205.19467	11.7
215.17964	4.0
217.19485	6.3
219.21098	2.6
221.19031	2.0
229.19498	2.2
231.21127	4.8
233.22658	2.0
235.20645	1.4
241.19640	1.5
243.20981	3.0
245.22781	2.6
257.22458	2.0
259.24045	1.7
271.24301	2.5
273.25858	2.7
285.25790	3.2
299.27213	1.7
300.21091	1.4
303.26636	1.5
326.02048	1.6
345.31421	2.4
353.31708	1.9
369.35110	1.8
409.38196	14.9
427.19424	2.0
427.39331	58.8
428.39890	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	427.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01861	7.3
55.05508	86.8
57.03443	16.4
57.07056	2.4
59.04983	2.2
65.03942	3.8
67.05505	42.8
69.03432	5.2
69.07068	20.5
71.04976	6.9
71.70335	2.5
79.05041	3.9
79.05491	65.3
81.03413	91.1
81.07048	50.1
83.04983	21.3
83.08611	48.6
85.02896	25.1
85.06523	2.6
87.04424	2.1
91.05472	33.7
93.07037	22.3
95.04971	32.8
95.08611	17.7
97.02853	4.5
97.06512	6.4
97.10166	53.0
101.06023	2.3
104.57092	1.9
105.07030	30.7
107.04939	5.5
107.08585	26.6
109.06497	5.2
109.10126	5.7
111.04447	5.2
111.08070	12.2
112.41245	2.3
113.06023	2.6
115.05444	2.1
119.08562	23.4
121.06498	2.7
121.10137	15.4
123.04435	2.9
123.08089	3.0
123.11673	3.7
125.09628	38.3
129.06995	16.1
131.08542	15.2
133.06467	3.1
133.10146	13.8
135.08084	3.9
137.09604	4.2
142.07755	3.9
143.10678	12.4
145.10143	2.4
147.08052	4.5
147.11690	20.9
149.09627	7.0
151.11125	2.6
157.10132	19.6
165.12732	6.9
167.06947	2.5
175.11156	20.8
177.68703	2.0
193.12224	100.0
194.12587	2.6
199.13257	19.3
203.12752	5.5
211.11263	4.0
211.13298	74.2
212.13570	4.6
217.14345	28.7
217.19490	2.5
267.13208	4.4
267.15872	39.1
285.16885	17.1
316.24033	2.4
317.21045	6.7
335.22028	10.1
392.05145	3.0
409.25824	35.7
410.26300	2.9
426.22211	2.5
427.18018	3.0
427.27072	61.5
442.16684	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	427.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.1
55.01861	11.0
55.05256	6.8
55.05506	100.0
57.03435	19.4
57.07055	4.1
58.75119	4.3
59.04976	3.9
59.36052	3.3
67.05499	48.3
69.03413	12.7
69.07059	29.4
70.95442	7.5
71.04963	8.7
74.77406	3.5
79.05488	76.6
81.03409	94.6
81.07051	72.9
83.04977	25.5
83.08608	53.9
85.02892	25.3
85.06536	5.3
91.05469	34.9
93.07030	32.1
95.04958	30.5
95.08597	20.4
97.02880	8.5
97.06491	8.9
97.10166	60.5
105.07031	32.5
106.06110	3.6
107.04948	6.9
107.08585	36.2
109.06504	11.0
109.10124	6.1
111.04468	5.5
111.08102	18.0
114.43311	3.5
117.06988	4.6
119.08569	27.6
121.06537	4.0
121.10173	19.0
123.11681	7.7
125.09625	55.2
129.06987	11.9
131.08557	12.0
133.06494	4.2
133.10123	11.8
139.11128	3.9
143.10643	12.4
147.08194	3.8
147.11670	38.7
149.09599	7.5
157.10114	18.6
165.12704	16.7
175.11203	21.8
183.06534	4.4
193.12234	98.3
199.13257	17.6
211.13266	78.1
217.14276	26.4
227.12762	4.1
229.14378	5.8
267.15976	36.6
285.16956	12.6
295.50406	3.4
317.21112	12.0
335.22192	15.8
398.11884	4.0
409.25809	39.7
427.20541	5.7
427.26849	95.9
428.27393	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	427.196
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
54.81030	4.3
55.05511	5.6
57.03424	8.1
57.07053	5.1
60.04524	8.8
61.02908	9.9
69.03426	40.2
70.06580	7.2
71.05000	8.6
71.71020	8.8
72.08149	8.9
73.02905	7.8
79.05484	8.9
81.03415	11.7
81.07053	6.6
85.02902	63.8
85.26584	4.6
86.20696	4.8
91.05447	15.9
93.07027	15.6
95.04946	20.8
95.08590	8.7
97.02889	28.1
101.07164	24.4
105.07014	23.8
107.04938	6.3
107.08561	10.7
109.06525	12.1
111.04431	18.1
117.07021	7.2
119.08586	24.8
121.02853	7.1
121.06487	14.6
121.10152	9.3
127.03896	17.0
128.06287	5.3
131.08528	15.8
133.10092	11.2
135.08031	30.8
137.09598	6.8
139.03937	22.5
139.07538	6.4
141.06969	8.1
142.07745	5.8
145.04926	8.0
145.10173	9.3
147.04396	7.8
147.07993	16.7
147.11739	8.7
149.09596	6.6
150.07765	23.3
157.10132	14.1
158.07228	12.8
159.08009	19.9
159.11723	18.4
161.09601	17.1
165.09137	13.4
173.09596	10.1
173.13266	7.9
175.07547	31.7
175.11194	16.5
187.11130	15.2
189.09200	5.9
189.12767	8.5
193.08641	5.9
199.11128	5.9
201.12700	16.5
203.10651	39.3
203.12747	15.5
211.11217	10.3
217.12228	11.5
219.13748	7.4
229.12215	21.0
230.65184	5.8
235.13252	8.7
247.13237	51.5
265.11578	8.1
265.14334	100.0
266.14609	5.5
301.06293	5.4
422.71115	4.4
427.19437	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.9
62.36521	0.6
65.03926	3.2
67.06329	0.6
68.99775	1.4
70.06582	0.6
71.71771	1.2
71.90862	0.6
73.80832	0.5
81.03394	0.7
92.05003	7.5
111.00799	1.0
111.04445	2.0
117.03393	0.5
118.13772	0.6
120.04456	75.1
121.02884	1.2
121.04782	1.8
121.90379	0.6
123.04411	1.5
127.03893	0.8
133.02864	0.8
138.05489	20.0
139.03889	100.0
139.97545	0.6
140.04240	2.2
145.02843	0.8
151.03864	4.3
163.03893	6.0
165.01859	0.6
179.07050	0.8
203.03516	0.5
205.04959	2.6
258.07547	0.9
271.05905	0.7
280.73462	0.7
289.07034	13.9
290.07367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1023
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
53.00311	0.6
55.01881	0.7
55.05510	0.4
59.07812	0.3
59.88243	0.3
62.92375	0.3
65.03934	3.2
67.05477	0.4
68.99791	1.1
69.03456	0.3
83.04980	0.7
93.03402	0.8
97.02885	0.4
98.21577	0.6
107.04987	0.5
111.00829	0.4
111.04431	5.5
111.05159	0.4
121.02857	46.8
121.03897	1.7
122.03205	0.4
123.04434	1.9
127.03893	0.4
139.03888	100.0
140.04266	1.4
149.05899	0.3
151.03864	4.2
161.05951	0.4
163.03880	2.6
177.05482	0.5
179.07033	0.5
181.04930	0.4
205.04945	2.2
229.05014	0.4
259.05920	0.3
271.05972	0.5
272.66406	0.3
289.07013	3.5
309.25894	0.3
318.36407	0.3
348.92996	0.3
401.97168	0.3
427.16833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03928	4.3
55.01875	5.1
55.05507	20.1
57.07059	5.3
65.03907	3.3
65.28712	3.0
67.05496	37.9
69.07064	30.3
71.04994	3.5
71.72781	5.6
71.93554	3.4
79.05484	24.9
81.07056	67.0
83.08596	15.2
85.06538	3.6
91.05461	20.5
93.07043	57.6
95.04975	7.3
95.08015	6.4
95.08598	100.0
97.06525	6.5
97.10149	9.4
105.07012	36.6
107.08590	80.3
107.64532	3.4
108.08921	4.1
109.09424	5.9
109.10148	93.5
111.11668	4.6
117.06973	4.7
117.31902	3.3
118.11087	3.1
119.08575	42.8
121.06446	3.6
121.10126	52.7
123.11697	39.8
129.07021	3.7
131.08565	7.9
133.10127	35.2
135.11678	48.9
137.13240	13.8
145.10101	15.4
147.11673	29.8
149.13246	34.9
151.14764	3.9
157.10075	6.4
159.11713	16.7
161.13268	24.5
163.14793	27.1
171.11488	4.1
173.13243	6.6
175.14810	14.0
177.16298	6.3
179.14311	9.8
183.91901	3.5
187.14795	11.6
189.16356	17.8
191.17967	37.0
201.16388	15.0
203.17966	30.0
203.46602	3.7
205.19481	8.5
207.17468	4.3
213.16273	4.9
215.17940	11.8
217.19501	34.0
219.21199	5.7
231.21011	5.3
351.14169	14.6
407.36740	17.1
425.17883	18.6
425.32840	4.7
425.37842	49.6
426.38239	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	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72677	1.2
50.99394	1.0
53.03939	1.9
55.05504	12.7
57.07084	5.6
60.46365	1.2
64.94293	1.0
67.05500	25.1
69.06697	2.3
69.07060	30.7
69.57196	10.7
71.04994	6.9
71.05324	1.6
71.08625	1.5
79.05482	15.8
81.07049	49.2
81.39011	1.1
83.08612	9.8
91.05466	14.5
93.07038	51.3
95.04979	1.9
95.08597	99.0
97.10170	6.0
98.20741	2.1
99.08094	7.1
104.11607	1.1
105.06351	2.3
105.07019	29.5
107.08584	68.2
109.06519	1.9
109.10147	73.7
111.11740	4.7
113.09640	1.5
117.06987	1.6
119.08572	69.1
121.10133	75.4
122.10462	1.1
123.11691	28.4
127.11201	14.2
131.08565	6.9
133.10115	58.3
135.11682	53.6
137.13245	13.5
145.10110	12.5
147.11671	42.0
149.13248	48.0
151.14859	2.3
159.11671	20.3
161.13252	28.4
163.14818	13.6
171.11694	2.2
173.13237	9.2
174.13977	1.2
175.14806	17.4
177.16364	6.4
187.14845	8.0
189.16359	21.5
191.17932	100.0
192.18288	2.5
199.14923	1.7
201.16389	8.8
203.17940	28.8
205.19452	6.0
213.16324	2.2
213.97639	1.2
215.17926	6.5
217.19507	52.4
218.19762	1.3
219.21155	2.9
221.19131	2.0
229.19556	1.8
230.19910	1.3
231.21129	2.1
233.18930	3.4
235.20563	2.3
243.21103	4.6
245.22812	1.6
246.04546	1.3
257.22607	5.8
259.24130	1.4
271.24222	1.6
285.25696	1.4
339.30557	2.1
355.30206	1.3
400.04617	1.1
407.36713	10.4
425.37775	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	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05507	6.4
55.62749	2.4
57.07051	3.5
67.05505	14.3
69.07076	17.1
71.71229	2.7
71.71615	3.5
74.18090	2.6
79.05487	7.6
81.07058	38.3
83.08598	6.7
86.09703	5.9
91.05480	8.9
93.07030	24.3
95.08594	56.7
97.10170	5.6
105.07034	20.2
107.08585	42.1
109.10152	43.3
111.08055	3.9
111.11716	5.7
119.08574	29.2
121.10136	37.7
123.11715	23.4
125.13199	2.4
127.11164	3.5
131.08591	5.9
133.10112	27.5
135.11690	36.0
137.13237	16.2
145.10117	9.4
147.11690	19.9
149.13257	23.1
159.11687	10.8
161.13240	19.3
163.14789	16.9
173.13237	7.8
175.14821	14.0
177.16376	7.2
184.07372	8.1
187.14803	5.6
189.16377	18.4
191.17935	48.3
192.76009	2.5
201.16399	10.9
203.17949	13.9
205.19547	5.0
207.17491	5.1
213.16420	3.9
215.17992	8.9
217.19487	27.6
229.19594	6.6
231.21121	10.2
233.19048	4.6
235.20648	3.5
243.21075	11.8
245.22687	10.1
247.20595	2.6
255.20995	4.1
257.22623	8.8
259.21255	2.4
259.24191	9.4
261.22211	3.5
269.22565	8.3
271.24155	9.5
273.25735	4.6
285.25815	10.0
287.23730	3.9
311.27307	4.8
326.18106	2.5
329.28415	7.9
388.13657	2.6
407.36728	30.1
425.37781	100.0
426.37991	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03935	2.1
55.05497	10.8
57.07051	4.0
57.77480	1.3
57.85950	1.4
67.05497	21.5
69.07062	20.4
69.54102	2.4
69.54516	9.5
74.07294	1.2
79.05477	10.7
81.07048	46.7
83.08624	8.6
85.06532	1.6
91.05471	7.5
93.07040	25.9
95.08598	77.3
96.76844	1.3
97.06490	3.2
97.10159	4.9
105.07020	15.5
105.80209	1.2
107.08584	45.0
109.06493	2.2
109.10149	53.5
111.08071	2.7
111.11700	5.1
119.08573	27.5
121.10132	36.7
123.08083	2.6
123.11690	20.4
125.09682	1.5
131.08548	4.6
133.10120	21.1
135.11691	25.5
137.09578	2.1
137.13232	17.9
143.08572	2.2
145.10118	8.0
147.11653	12.5
149.13254	13.6
151.14775	2.2
159.11713	9.4
161.13245	14.2
163.14798	11.4
165.12680	1.2
171.11700	1.5
173.13292	8.0
175.14819	8.7
177.12801	1.3
177.16409	9.1
179.14282	3.1
185.13232	1.6
187.14856	6.0
189.16388	11.5
191.17953	20.4
196.72313	1.3
201.16371	5.9
203.17906	12.6
205.19528	10.0
207.17455	4.3
213.16354	2.0
215.17960	8.0
217.19489	7.0
219.17400	1.8
219.21143	1.7
229.19556	4.2
231.21187	2.4
233.18971	2.4
239.18071	1.3
241.19334	2.3
243.21063	5.1
245.22658	7.5
247.20541	12.8
255.20930	2.4
257.22610	2.5
259.24246	1.9
261.22076	3.9
269.22614	4.7
271.24185	3.7
273.22067	1.2
283.24258	3.0
285.25583	1.6
287.23798	1.8
289.25269	1.7
297.25784	1.8
301.25388	1.4
303.60944	1.2
306.52237	1.5
401.34973	1.3
407.36664	18.1
425.37766	100.0
426.38138	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.50854	2.9
52.46136	3.1
53.43281	2.9
55.05498	11.4
55.92397	3.9
57.07069	9.0
61.01073	3.0
67.05492	22.1
69.07055	27.5
71.70843	5.4
79.05478	15.0
81.07050	83.1
81.73954	3.1
83.08594	9.3
91.05477	14.7
93.07044	32.9
95.04956	4.4
95.08595	100.0
97.10170	5.4
105.07027	21.3
107.08572	34.8
109.10154	48.3
113.07161	3.8
117.07000	3.5
119.08558	27.0
121.10144	32.7
123.11710	29.0
129.07056	4.4
131.08546	14.4
133.10101	26.9
135.11693	25.7
137.13245	52.3
143.08549	6.1
145.10040	17.7
147.11710	17.9
149.13290	17.7
157.10097	7.3
159.11685	14.4
161.13223	8.5
163.14752	7.1
171.11653	4.6
173.13322	12.1
175.14766	11.5
177.16367	5.4
177.27693	3.6
185.13274	7.7
187.14798	12.2
189.16362	11.6
191.17860	18.6
199.14867	4.7
201.16393	13.9
203.17902	11.4
205.19643	4.6
213.16426	7.4
215.17986	9.0
217.19563	13.1
219.21048	4.2
227.17906	8.6
229.19438	4.0
233.18916	3.9
245.19003	4.3
257.22650	5.2
269.22769	3.9
278.28427	3.5
407.36807	18.7
425.28845	4.2
425.37756	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.54419	1.9
50.59771	2.0
53.03932	2.3
55.05494	17.0
56.12935	2.4
57.03426	2.8
57.07060	8.9
59.88863	2.1
65.65673	2.1
67.05498	38.5
68.05804	2.2
69.07054	32.3
71.72575	2.9
79.05476	20.4
81.07045	69.7
83.08620	17.3
83.83205	2.1
91.05460	20.3
93.07037	45.8
95.04945	4.3
95.08595	100.0
97.06524	6.5
97.10141	10.8
105.07026	34.5
106.52840	2.2
107.08579	70.8
109.06508	3.8
109.10143	78.0
111.08044	2.4
111.11695	3.3
113.83447	2.2
117.06980	6.8
119.08569	34.8
121.10129	55.8
123.08063	4.0
123.11685	33.2
125.09591	8.0
131.08537	9.5
133.10121	30.1
135.08096	3.1
135.11667	48.3
137.13240	26.4
143.08492	2.7
143.56354	2.6
145.10132	15.5
147.11665	28.3
149.13234	37.4
150.09419	2.4
157.10185	3.9
159.11662	16.3
161.13251	29.3
163.14793	25.2
169.10310	2.4
171.11613	2.4
173.13246	10.9
175.14851	12.4
177.16382	8.9
179.14262	6.1
187.14789	7.0
189.16383	24.2
191.17935	35.8
197.13390	2.4
201.16344	16.2
203.17944	21.2
205.19484	8.9
207.17415	6.6
215.17979	12.7
217.19505	28.5
219.21060	5.0
221.19200	2.4
227.17902	3.4
229.19466	4.0
245.22705	2.4
257.22781	2.8
259.24097	2.3
269.22729	2.5
271.24258	3.3
301.29211	3.6
315.39810	2.7
407.36801	18.3
425.17856	4.8
425.28665	4.3
425.37775	57.7
426.38177	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	425.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01146	0.9
63.55800	0.5
65.03929	0.7
67.05495	0.5
71.72639	0.7
72.04496	1.7
78.03777	1.3
79.75330	0.4
81.07042	0.5
85.06532	0.5
88.02203	1.2
91.04925	0.7
91.05475	9.3
95.04984	0.4
99.05589	0.6
102.03741	1.6
107.04948	0.4
109.10114	0.5
111.04365	0.6
114.03751	0.8
119.04936	22.4
124.07594	0.4
131.06387	1.4
132.04817	2.1
139.03905	0.4
142.08626	1.7
147.04402	100.0
148.04700	2.2
149.07425	8.1
151.07527	0.6
153.01794	1.2
167.07060	0.6
179.07137	0.4
218.08131	12.8
261.12689	8.9
277.10156	0.7
295.11127	11.1
297.11084	0.5
299.05338	0.6
407.16330	9.3
408.17319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25785	1.2
55.05503	12.1
57.07069	4.6
57.33737	1.4
65.03928	1.5
67.05499	27.4
69.07057	25.2
71.04977	5.0
71.08640	1.1
78.62270	1.3
79.05489	14.4
81.07052	49.7
83.08614	10.5
91.05473	14.5
93.07036	48.4
95.08599	100.0
97.10164	5.9
99.08080	6.1
105.07025	36.2
107.07846	2.2
107.08585	69.4
109.10146	82.1
111.11695	4.6
117.07011	3.1
119.08571	59.7
121.10134	77.0
123.11697	30.5
127.11192	16.7
129.74962	1.4
131.08545	6.5
133.09088	2.0
133.10115	54.3
135.11684	56.9
137.13223	15.4
144.09386	1.9
145.10109	11.3
147.10471	1.6
147.11671	41.6
149.13245	43.6
151.11128	1.7
159.11687	19.6
161.13242	30.9
163.14821	15.0
171.11697	1.5
173.13228	8.4
175.14822	16.5
177.16364	10.7
187.14830	12.1
189.16388	18.1
191.17935	94.0
199.14764	2.2
201.16377	9.5
203.17937	32.0
205.19527	11.1
213.16312	2.5
215.17947	6.7
217.19502	46.2
219.17432	2.2
219.21037	2.2
219.22992	1.4
221.19031	2.7
226.97806	1.5
227.17908	1.6
229.19539	3.9
231.21062	3.7
233.18919	3.4
235.20555	4.5
243.21095	4.1
245.22583	2.0
247.20572	1.7
255.21037	2.1
257.22647	5.2
297.25803	2.0
323.27411	1.8
329.28317	5.2
339.30237	1.8
341.28500	2.9
397.37830	1.7
407.36652	12.1
425.28918	2.3
425.37720	37.9
426.38037	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1413
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
50.46320	0.4
52.75590	0.4
58.61415	0.4
65.03967	0.4
65.53472	0.6
68.99778	0.7
70.06568	0.9
71.69951	0.6
82.64048	0.3
86.09661	0.8
91.05464	1.7
121.02859	5.5
139.03891	3.2
153.01880	0.5
160.57465	0.4
168.33652	0.4
177.01840	0.8
199.03963	0.7
203.03569	0.8
205.04942	0.7
213.05417	0.6
217.04967	0.5
225.05740	0.4
245.04475	0.7
257.04456	0.9
271.05948	2.1
287.05508	4.9
288.05902	0.6
293.09897	1.9
299.00974	0.5
299.05453	4.1
311.09702	0.8
407.07556	0.9
425.14142	100.0
426.14371	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51716	0.6
59.49767	0.6
60.43769	0.5
71.23479	1.1
71.23817	0.7
77.74501	0.5
82.99846	1.6
97.02859	0.8
101.00864	10.5
109.02855	0.8
113.00809	1.5
119.01906	24.4
127.02383	2.4
131.01878	8.0
133.03395	0.7
137.02946	2.6
139.02400	1.0
143.01875	26.9
144.01974	0.8
145.03458	8.3
155.01872	13.4
157.03488	5.7
161.02934	52.1
162.03036	1.4
163.04514	1.0
165.84482	0.7
167.01860	5.8
169.03448	2.4
171.04987	1.7
173.02963	21.0
174.03160	0.6
174.17531	0.6
175.04526	1.7
179.01866	2.9
184.04529	2.2
185.02945	35.1
186.03189	0.9
187.04510	4.6
191.03990	4.9
197.02930	13.0
203.03979	16.7
208.04652	0.8
215.03951	7.0
221.05074	2.0
227.03978	7.9
233.05002	0.7
245.05037	100.0
246.05273	3.5
257.04993	3.7
263.06088	23.8
264.06250	0.9
275.06061	11.7
281.06934	0.6
286.07556	0.9
293.07162	3.7
305.07159	8.6
335.08063	1.9
365.09409	3.7
425.06259	1.5
425.11447	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	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.8
64.49940	0.6
68.45811	0.6
71.14257	1.6
71.14610	0.6
79.45144	0.7
81.03428	0.8
82.99850	1.4
85.02879	0.9
87.40321	0.6
97.02885	1.2
101.00866	10.9
109.02860	1.0
111.83302	0.6
113.00882	2.1
115.02436	0.7
119.01914	29.9
120.01947	1.2
127.02386	1.7
128.98529	0.8
131.01901	10.3
133.03481	1.2
137.02933	2.8
139.02356	1.0
142.03441	0.8
143.01881	26.8
145.03448	9.2
147.01349	1.2
155.01872	12.1
157.03462	6.5
161.02943	49.0
162.03098	1.2
163.04503	2.1
167.01888	6.2
169.03450	3.6
171.04979	2.1
173.02954	20.4
173.04462	1.1
175.04584	1.5
179.01886	2.9
184.04572	1.5
185.02942	34.0
186.03146	2.2
187.04544	3.8
191.03976	6.2
196.04500	0.9
197.02937	12.3
203.03992	15.2
208.04578	1.1
209.02975	1.3
215.03999	6.0
221.05171	1.5
227.03969	6.0
233.04991	0.8
239.04094	1.1
245.05057	100.0
246.05206	4.9
246.09196	0.8
257.05017	5.5
259.45834	0.7
263.06116	26.5
264.06360	1.0
275.06073	13.5
286.07593	1.2
287.05698	0.8
292.57272	0.6
293.07153	5.2
305.07147	8.8
317.07025	0.9
335.08182	2.1
365.09241	5.9
425.06015	3.3
425.11206	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57907	1.6
69.03416	2.2
70.06581	1.9
71.33234	3.6
72.71657	1.6
74.14708	2.0
76.12551	1.5
85.02900	2.5
91.05468	3.4
94.51653	1.6
95.04964	1.9
97.02904	2.6
99.05577	2.1
111.10394	1.7
115.52749	1.6
119.04926	14.5
123.04422	3.6
127.03859	1.6
133.12511	1.6
139.03902	27.4
140.04260	12.9
141.06822	1.7
147.04404	100.0
148.04770	3.9
153.01796	2.5
165.05469	61.2
180.08694	11.1
182.08070	3.6
193.09575	1.7
193.41652	1.6
203.03490	1.9
205.04770	1.7
245.04610	2.3
287.05402	7.7
299.05402	9.3
312.40417	1.6
365.05414	9.2
402.19501	1.7
424.14246	1.9
425.08670	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	424.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14523	37.7
63.75583	32.9
67.05504	41.9
69.03403	35.5
70.06590	37.7
70.96934	66.8
70.97298	30.4
74.16673	33.8
79.05494	57.4
79.19894	34.2
81.07046	42.1
82.10179	34.3
83.65470	36.7
85.02907	59.1
85.19215	38.1
93.07019	50.9
105.07058	35.0
137.05991	42.9
141.48251	35.5
147.04433	51.2
149.05943	43.3
150.00752	35.9
161.05943	100.0
168.52931	33.9
203.06859	50.1
274.40613	36.3
285.11057	56.2
327.12265	81.6
346.26791	35.3
379.12888	38.9
438.11060	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	425.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61917	5.0
56.96560	100.0
57.03418	14.8
61.02912	15.8
69.02218	4.7
69.03435	29.4
69.63972	12.1
69.64385	30.0
70.98120	11.9
73.02903	10.9
74.97617	6.9
81.03400	13.8
84.04494	6.7
84.08130	5.6
84.96023	20.2
85.02896	83.2
86.03292	5.8
88.99130	22.7
91.03918	4.7
97.02882	42.9
98.97577	98.3
99.04425	7.1
107.00185	6.3
107.07728	5.3
109.02882	7.6
110.97570	29.1
112.99146	7.5
113.03450	5.1
113.38988	5.1
116.98627	62.7
119.01882	14.7
121.01651	5.1
124.99111	10.4
127.03897	22.7
127.52440	4.3
128.98611	63.4
131.00151	22.0
131.01939	6.8
134.99669	15.2
140.98590	16.8
143.00136	19.4
143.01886	15.5
144.98048	10.8
145.03436	7.0
145.04951	20.5
146.03539	4.5
146.99651	54.6
149.01236	30.8
152.98515	5.9
153.00641	6.7
153.01793	11.6
155.01898	14.1
157.03412	5.6
158.99612	37.6
161.01228	40.5
161.02930	22.2
162.99130	7.3
165.00706	39.8
167.02136	9.7
168.98006	5.3
170.99652	27.5
172.97499	5.8
173.01295	9.7
173.02994	16.7
177.00671	31.7
182.63728	4.5
182.99771	6.5
183.01764	6.2
185.01376	5.9
185.02916	20.6
186.99118	10.6
188.97012	6.8
189.00682	54.3
190.98642	9.5
191.02251	13.2
193.00266	10.8
195.01726	5.1
197.02899	6.6
201.00713	50.7
203.02222	17.3
205.00223	14.9
205.03699	6.0
206.98088	8.2
207.01869	25.4
208.88487	7.3
208.97841	7.9
212.98407	6.1
214.98669	7.5
215.02341	6.6
219.01733	65.9
221.03065	7.2
221.05109	8.3
223.01202	11.6
225.23526	5.8
231.01735	8.0
233.03285	13.7
237.02812	99.5
244.99728	5.8
245.05125	54.1
248.99213	6.6
251.04384	77.8
255.03989	7.9
256.15515	5.0
260.04446	8.2
263.00671	17.5
263.06284	10.2
267.03769	5.5
269.05432	44.5
279.03897	7.7
281.01877	15.9
281.05286	5.8
287.00876	6.3
287.05014	7.1
293.05392	10.0
296.98154	5.7
299.05576	6.8
305.01859	10.1
305.05447	15.2
319.06833	23.9
321.04877	23.2
321.10449	9.3
323.02765	8.1
333.01260	9.2
337.04193	5.2
339.05927	9.8
363.05975	15.7
365.07394	5.0
389.03748	8.9
393.07358	5.3
407.04510	11.1
425.10101	43.4
433.70230	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	424.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38415	0.5
55.01860	0.6
58.53896	0.5
59.57284	0.5
61.96894	0.5
64.70583	0.6
67.01861	2.6
68.99787	2.5
69.03414	1.2
69.82890	1.6
69.83318	1.8
70.06557	0.8
74.00645	1.2
83.01355	0.5
88.03984	9.3
97.02892	0.8
109.01102	1.0
111.00779	1.2
111.04379	0.6
113.02351	2.4
117.99652	0.8
120.01147	1.0
123.04384	0.7
127.03924	0.9
127.69093	0.5
129.00075	1.3
137.00549	2.6
137.02290	0.5
139.03889	1.3
141.00023	2.1
147.04382	1.9
149.00536	3.8
150.03091	0.7
153.01811	100.0
154.02153	2.5
155.01596	15.1
156.99544	1.6
161.04674	0.5
162.05461	1.0
165.00075	5.2
166.00784	1.3
167.01610	1.7
167.03398	0.7
169.31653	0.5
170.46509	0.6
171.02826	2.7
176.01636	1.0
178.04843	0.5
179.01617	1.1
180.99518	2.4
181.01154	1.3
183.01152	1.7
192.99513	1.4
194.02695	17.7
194.04483	5.3
195.02945	2.0
206.02654	1.2
207.00978	0.5
208.04382	0.8
208.18414	0.5
215.01747	0.6
219.01031	0.9
229.04982	0.6
233.02664	0.9
240.03217	50.1
241.03561	1.9
242.04872	0.6
243.01100	3.0
245.04558	0.7
252.03322	0.6
254.04805	1.5
255.03203	1.0
261.02240	4.4
262.10715	1.8
271.00565	13.1
272.00912	1.0
272.05789	5.5
279.03207	5.5
284.03052	2.9
287.05573	1.7
289.01566	2.5
299.00082	4.5
300.00793	0.7
307.02695	5.6
317.01138	30.1
318.01486	1.3
319.02679	9.7
320.02850	0.6
335.02246	4.7
342.04141	0.9
343.02664	2.3
389.03247	0.7
406.05936	7.4
407.04034	1.1
424.06985	2.7
431.32260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.8
57.03428	0.9
57.39892	0.6
65.03923	1.4
67.01856	1.6
68.99784	3.6
69.03408	1.6
70.06580	0.8
70.52892	2.1
70.53310	1.3
79.00487	0.6
80.42740	0.6
84.04504	0.9
85.01123	1.8
85.02922	0.8
86.09686	0.6
91.59930	0.7
94.18351	0.6
94.19128	0.7
95.04945	0.9
97.01122	1.1
97.02861	0.7
97.06503	1.4
98.20579	0.9
99.02670	1.4
100.96857	0.7
107.04914	1.1
109.02927	0.8
111.00775	2.3
111.04435	2.1
113.00578	4.6
121.02845	1.4
121.91528	0.6
122.00304	0.7
122.99036	0.9
123.04398	1.4
125.00510	1.5
127.02133	6.5
127.03928	1.0
130.05028	0.8
132.89394	0.6
135.02621	0.8
137.02332	2.1
139.03894	3.5
141.00032	14.4
141.01752	0.7
147.04433	4.2
149.02328	3.4
150.03061	0.8
153.00056	7.0
153.01814	100.0
154.02161	2.6
155.01598	49.5
156.99574	1.6
163.02158	1.2
163.03865	0.8
165.00073	0.8
165.01836	3.2
166.02583	1.4
167.03386	1.2
168.99533	2.8
170.04514	0.7
171.02850	7.1
177.01797	1.2
179.01614	10.6
179.03352	5.0
180.99532	16.0
181.01306	7.9
183.01123	5.5
183.02686	1.2
184.99034	1.0
189.00084	0.8
194.02086	1.9
195.02873	65.7
196.03101	0.8
200.04691	1.1
208.99060	4.8
216.03856	0.8
219.01074	4.2
219.02933	0.7
224.36662	0.7
225.02173	1.2
228.04135	2.6
229.04901	1.9
231.01109	2.1
240.03181	0.8
242.04895	0.8
243.01169	1.3
245.04398	2.2
247.00574	2.9
251.00046	0.9
255.03093	2.0
256.03613	2.8
257.04495	1.0
259.00598	1.0
261.02133	5.4
271.00598	1.3
272.05804	6.4
273.03857	2.2
274.04614	4.3
275.00165	1.1
279.03238	1.2
281.99994	0.6
284.03085	8.9
285.03928	3.6
286.04361	1.7
287.05615	1.0
289.01663	6.2
297.02094	0.9
299.05493	2.5
302.04218	8.5
303.05185	1.4
304.05319	2.6
305.01147	0.9
307.02692	1.6
315.03198	1.5
317.01117	21.4
325.01733	1.4
335.02182	55.6
336.02545	2.7
343.02701	7.8
353.01236	0.8
361.03687	9.4
370.03818	1.5
371.02209	4.9
378.06381	1.2
388.04855	2.7
389.03064	4.6
406.05655	4.5
407.04233	13.8
424.06937	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01873	0.9
55.05510	12.3
57.03432	2.4
57.07066	1.6
59.04996	3.9
65.03949	1.9
65.21652	0.6
67.05499	100.0
67.16598	0.6
68.05830	1.3
69.03432	0.9
69.07063	9.0
70.21436	3.0
71.04995	4.8
79.05486	18.9
79.05934	1.2
80.05814	0.6
81.03432	1.5
81.07050	45.6
82.07348	0.9
83.04975	2.3
83.08616	11.6
85.06543	4.5
91.05470	14.2
93.07037	24.5
95.04961	3.7
95.08597	13.1
97.06540	5.2
97.10172	0.7
99.08085	1.5
100.27263	0.6
105.07025	3.6
107.08583	14.6
107.09243	1.1
109.06499	2.0
109.10146	54.8
110.10506	1.1
111.08069	4.4
117.07024	5.0
119.08565	5.9
121.06458	0.8
121.10130	7.6
123.11718	1.5
131.08549	3.8
133.10121	6.8
135.11668	4.1
137.09625	2.5
139.11174	0.8
147.11769	1.3
149.09639	0.8
149.13243	14.6
151.11208	1.1
155.10681	4.0
159.11650	6.9
173.11723	19.6
173.13222	0.7
177.12784	3.2
195.13779	10.6
213.14899	1.0
239.34477	0.7
266.85028	0.6
267.52573	0.6
299.34720	0.7
318.97256	0.6
330.68484	0.7
381.10303	0.7
423.27380	49.7
424.27954	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19992	0.8
53.03933	2.3
55.01869	1.3
55.05506	10.9
55.46988	0.7
57.03424	2.6
57.07071	4.5
59.04985	3.3
65.03938	4.1
67.05500	100.0
68.05815	2.2
68.49036	0.7
69.07063	10.4
69.74075	6.1
70.06587	5.5
71.04973	3.6
71.08631	1.0
71.57647	0.7
79.05484	18.3
81.03414	1.9
81.07049	45.8
83.04957	2.5
83.08617	10.3
85.06531	3.8
88.07619	7.5
89.07968	1.3
91.05474	13.4
93.07040	25.8
95.04969	4.0
95.08594	12.5
97.06520	3.6
97.10126	0.8
99.08048	1.2
102.09172	6.0
103.09515	1.0
105.07014	3.6
107.08587	13.9
109.06515	1.7
109.10145	56.7
110.10490	2.1
111.08082	4.6
117.07007	3.1
119.08541	4.3
121.06434	0.9
121.10156	8.4
123.11688	1.9
125.09595	0.8
131.08553	3.2
133.10109	4.4
135.11681	4.6
137.09584	2.2
139.03918	1.0
149.02342	22.1
149.03424	1.0
149.13254	16.6
150.02647	14.6
150.03801	0.8
151.67482	0.7
155.10603	3.8
159.11658	6.5
173.11720	17.0
177.12744	3.3
193.03197	1.4
193.04953	28.1
194.05292	18.1
195.13788	6.8
256.26352	7.7
257.26642	13.5
297.13437	0.9
377.01694	1.4
407.73376	0.9
423.28494	56.3
424.27786	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01858	1.3
55.05506	12.6
57.03422	3.3
57.07069	1.0
59.04998	3.6
65.03938	2.8
67.05498	100.0
68.05838	1.9
69.03426	0.7
69.07062	9.5
69.56260	3.9
69.56684	2.0
71.04982	4.6
79.05029	1.5
79.05484	21.6
81.03413	1.0
81.07048	44.2
82.07368	0.8
83.04987	2.8
83.08614	10.9
85.06524	4.2
91.05466	15.0
93.07034	24.9
94.07359	0.8
95.04966	3.5
95.08601	11.8
97.06522	5.2
97.10204	1.0
99.08051	0.8
105.07020	4.3
107.08578	16.5
107.09257	1.2
108.08939	0.7
109.06495	1.7
109.10144	57.2
111.08054	5.8
114.16556	0.6
115.09972	0.6
117.07027	3.4
119.08562	5.2
121.06517	0.9
121.10113	6.2
122.70272	0.8
123.11733	1.9
131.08578	2.9
133.10146	5.2
135.11685	3.1
137.09610	2.6
147.11604	0.8
149.13234	14.3
155.10657	3.7
159.11716	5.5
167.14447	0.9
173.11734	18.5
177.12794	2.5
195.13750	7.9
195.15404	0.8
197.26198	0.7
213.14769	1.0
257.33694	0.7
332.00885	0.9
423.27371	43.9
424.27652	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76143	1.4
55.01868	3.9
57.03408	1.6
57.07055	2.3
61.01138	7.9
62.53776	1.6
69.03412	2.4
69.07050	2.7
69.61784	1.6
70.06584	2.3
72.04506	16.3
73.02924	1.9
75.50514	1.8
76.02225	2.0
78.03783	21.9
79.17785	1.5
83.04983	2.5
84.04479	2.4
85.02901	10.9
85.06555	2.2
86.06049	3.8
88.02205	7.3
91.05444	3.9
95.04962	2.4
97.06528	5.6
98.06865	2.2
99.04449	6.2
99.05569	3.7
102.03756	28.9
103.02161	3.8
103.03930	17.0
109.02921	4.3
112.07596	1.9
113.05981	2.6
114.03761	2.8
120.04796	7.5
124.07569	3.4
126.05502	21.1
127.03920	6.6
130.05042	2.6
131.06374	14.5
132.04811	14.0
142.08649	5.8
145.04988	2.0
147.04454	1.7
149.07430	55.7
152.07094	3.8
153.01854	2.7
154.08656	3.4
159.05756	1.6
175.03874	2.7
175.05301	2.1
177.03348	1.9
179.03366	2.2
180.06551	12.9
184.09618	2.7
190.08911	1.9
198.07658	6.4
207.63568	1.5
209.11716	1.8
213.10199	2.7
216.08723	2.5
231.11482	4.2
243.11411	2.2
245.04588	3.6
261.12753	5.2
273.04004	3.1
293.11633	100.0
294.11969	5.5
297.03937	3.4
302.12286	2.2
322.60013	1.7
376.09818	1.7
405.06061	3.4
405.12201	3.4
405.16959	35.3
406.17023	1.8
423.07108	10.5
423.13684	6.9
444.20273	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99572	0.2
68.99765	0.3
69.87468	1.3
74.00633	0.3
74.28580	0.2
88.03936	0.5
97.01083	0.8
98.21471	0.2
99.23988	0.2
111.00788	0.2
120.01122	0.3
130.17966	0.2
137.02264	0.4
152.99986	0.2
153.01791	1.8
165.00056	0.5
165.01785	0.5
187.03857	0.3
188.04730	0.3
191.03320	0.3
192.99596	0.4
195.04597	0.2
203.03334	0.6
215.03389	0.5
216.04131	2.4
217.04944	0.4
243.02916	0.8
244.03671	3.5
245.04427	0.5
247.00760	0.2
249.02132	3.2
259.00604	0.4
271.02493	1.6
272.03134	12.9
273.03751	0.9
274.04642	0.4
274.14008	0.2
277.01663	2.5
283.02332	2.0
285.02075	1.0
287.00031	0.5
288.00818	0.2
299.01978	0.3
300.02615	100.0
301.03070	4.6
302.04163	1.6
303.04916	0.8
305.01108	3.5
313.01563	1.7
314.99518	1.1
317.01160	0.5
333.00601	80.7
334.01007	2.7
335.02249	2.0
341.01160	1.1
343.02545	0.4
359.02176	7.8
360.02283	0.2
376.04855	0.5
377.03540	0.3
387.01746	0.4
405.02704	4.5
405.07635	0.4
422.05389	5.8
423.05789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.1
54.25537	0.8
55.01868	2.2
57.18463	0.8
65.03940	1.7
68.99767	2.3
70.06577	1.0
71.70339	1.4
84.04476	2.3
84.08154	1.7
93.03398	1.6
97.06508	2.9
98.06808	1.0
104.89497	0.9
111.04440	2.0
119.04878	1.1
121.02848	2.7
123.04440	2.9
130.04984	1.3
135.04370	2.2
139.03886	100.0
140.04178	1.2
145.02837	0.9
147.04417	3.3
151.03905	6.6
153.01820	4.8
155.01585	1.7
159.04408	0.9
161.05995	1.3
162.02110	0.9
163.03848	8.4
164.84772	0.9
175.03882	1.3
177.03137	1.7
178.03583	0.9
178.73813	0.8
179.03365	1.9
179.06985	1.3
181.04982	1.9
187.03873	1.1
189.01761	1.6
191.03275	1.3
195.02864	2.1
203.03342	2.2
203.94629	0.9
205.04892	1.7
207.02905	1.9
217.31854	0.9
219.02924	1.6
229.04898	1.3
231.02753	1.3
243.02924	1.0
245.04459	9.6
249.03810	2.1
255.02890	1.2
257.04489	2.4
269.04245	0.9
273.03986	2.5
285.04019	4.8
289.07025	15.1
297.03766	1.5
303.04904	9.5
321.07492	1.1
335.02054	1.3
339.04874	2.5
345.06134	2.2
349.07343	1.3
395.07227	1.2
405.05646	6.2
406.06668	1.0
423.06961	10.7
438.35645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64133	0.5
53.03923	0.6
54.76600	0.4
55.01860	0.6
55.05275	0.6
55.05510	6.2
57.07066	2.3
59.04987	0.5
59.58305	0.4
59.66645	0.4
65.03912	0.5
65.66646	0.4
67.05500	9.8
68.02557	0.4
69.03427	0.5
69.06696	0.7
69.07059	12.7
69.89648	2.6
71.04990	3.8
71.08632	1.1
77.03925	0.7
78.75715	0.4
79.05486	6.0
81.07049	18.5
83.04966	0.6
83.08606	5.6
83.48532	0.4
85.10251	0.4
91.05470	9.1
93.07037	17.0
95.04945	1.7
95.08598	22.7
97.06526	2.2
97.10136	2.2
98.20724	1.0
98.72042	0.5
99.08089	1.2
105.07020	19.6
107.08585	23.6
108.08910	0.7
109.06499	1.4
109.10144	20.7
111.08078	1.3
113.09593	0.4
115.05463	0.9
117.07019	4.5
119.08569	25.5
121.06467	1.1
121.10131	20.2
122.10569	0.5
123.08055	2.6
123.11697	7.6
125.09615	1.5
127.11183	8.7
128.06172	1.1
129.06982	3.1
130.07782	1.3
131.08549	11.1
133.10118	19.9
135.08057	2.1
135.10660	0.5
135.11676	10.2
137.09624	1.4
137.13228	2.9
139.11195	0.5
139.61801	0.4
141.06931	1.0
142.07794	2.9
143.08556	8.7
144.09326	2.1
145.10110	27.6
147.08069	0.8
147.11673	16.8
149.09555	2.2
149.13229	6.8
151.11145	1.1
151.14767	0.5
155.08537	3.0
156.09322	2.7
157.08862	1.0
157.10115	13.6
158.10892	3.9
159.11674	31.7
160.12018	1.1
161.09584	1.5
161.13242	10.7
163.11169	3.3
163.14763	2.5
164.34099	0.5
167.08565	0.8
168.09367	0.9
169.10107	6.6
170.10918	1.5
171.11676	9.5
172.12431	1.2
173.13240	12.0
175.11168	1.9
175.14796	5.5
177.12729	1.8
177.16324	2.3
181.10138	2.0
182.10841	1.2
183.11678	6.1
184.12469	0.8
185.09575	0.5
185.13232	7.4
186.14041	0.8
187.14807	14.2
189.12701	1.3
189.16357	11.4
191.14279	1.0
191.17937	4.3
193.10083	0.7
195.11662	3.3
196.12447	0.9
197.13243	5.6
198.13948	0.6
199.11008	0.6
199.14786	10.8
201.16365	30.5
202.16832	1.0
203.14462	1.2
203.17935	11.4
205.15866	2.4
205.19466	0.6
207.17429	1.0
209.13260	3.0
210.13937	1.1
211.14803	3.9
213.16367	10.9
215.14557	0.8
215.17937	14.4
217.15996	2.3
217.19466	5.9
219.17444	3.3
221.13295	1.1
223.14799	2.9
224.15363	0.5
225.16393	4.1
227.17909	2.7
229.15770	0.6
229.19519	1.7
231.17371	2.3
233.18987	3.3
235.14804	0.9
237.16362	3.4
239.17935	3.7
241.19557	1.7
243.21184	0.7
244.19295	0.4
249.16287	0.9
251.17981	3.1
253.19519	4.1
255.21092	1.4
257.18988	1.2
257.22586	0.6
263.18066	1.0
265.19516	1.8
267.21048	3.3
269.22800	0.6
271.20367	0.7
277.19568	1.0
279.21094	2.9
280.21790	0.6
281.22598	2.3
283.20596	0.5
283.24249	1.0
285.22137	0.8
291.21222	1.1
293.22620	2.4
295.24249	1.9
297.22110	1.0
299.23779	0.8
305.22632	0.9
307.24240	1.4
309.22360	1.0
309.25595	0.6
311.23697	1.6
313.25195	0.7
319.24197	1.9
321.25674	1.0
323.23749	0.7
323.27374	1.5
325.25171	0.8
333.25833	1.9
335.27298	8.6
337.25217	1.2
339.26663	1.1
347.27325	1.6
351.26743	1.6
360.28485	0.5
361.28900	1.2
365.28357	2.5
378.29233	1.3
379.29843	2.2
403.33566	11.5
404.34113	0.9
421.34625	100.0
422.34991	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	420.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05508	9.9
56.05031	17.5
57.03421	2.8
57.07069	1.2
58.99567	2.0
59.68605	0.8
61.01144	17.8
65.03931	1.2
67.05141	1.8
67.05497	33.3
69.07070	8.1
70.06580	3.9
70.85578	1.0
70.85914	2.1
75.04470	1.4
76.02220	6.7
78.03780	2.8
79.05486	15.4
81.07052	34.6
81.98740	0.8
82.06581	1.2
83.04959	1.2
83.08611	6.5
84.08125	2.5
85.01107	2.6
87.02680	5.6
88.02206	5.3
88.42855	1.0
90.03769	1.9
91.05466	10.6
93.07034	17.4
95.04955	1.2
95.08009	1.9
95.08598	29.9
96.08136	1.2
97.01111	2.0
97.06523	3.0
97.10152	3.1
99.02676	1.0
101.04224	2.0
105.07039	6.7
107.08594	11.7
109.06485	1.6
109.10149	12.6
111.08074	1.0
113.04228	2.6
116.05311	4.4
117.03673	1.3
117.07021	1.2
119.08579	4.8
121.10147	12.9
123.08092	1.5
123.11702	3.4
127.05808	1.1
131.08562	5.7
133.10101	6.4
135.04613	0.8
135.11693	8.0
139.11208	1.5
145.10135	3.5
147.11690	2.6
149.13251	2.4
151.11188	1.9
159.11734	2.5
160.56224	1.0
173.13284	1.2
187.14986	1.0
212.89983	0.9
215.17888	5.0
222.05817	0.9
233.18985	6.5
235.20522	1.0
250.21660	14.6
251.20047	2.2
265.16220	2.3
268.22659	6.5
307.22870	1.4
309.92062	1.1
310.21973	5.1
324.25320	5.2
325.23492	6.7
326.21301	1.7
328.23029	2.8
342.26416	4.8
384.25803	6.7
385.24170	2.7
402.26694	97.7
403.27057	4.5
420.27747	100.0
421.28384	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	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	2.3
58.52475	2.1
61.02919	4.0
68.52790	1.9
69.03415	6.3
69.92916	7.5
69.93326	5.4
76.02221	3.5
79.24650	1.7
80.70858	1.6
81.03397	3.3
81.40199	2.0
83.70413	1.7
85.02894	24.1
86.09688	8.5
95.04957	2.0
97.02876	6.7
98.20737	3.0
103.05452	4.2
117.07029	10.3
120.53951	1.9
122.03594	2.3
123.04403	2.1
124.07556	3.3
127.03907	4.5
131.04912	24.3
137.05968	100.0
138.06308	3.5
139.03886	14.4
145.04964	5.0
145.06464	26.1
147.46927	2.2
153.01837	2.6
163.03941	5.9
163.07524	69.0
167.07080	3.2
177.09097	29.9
205.08589	58.8
206.08879	2.9
223.09624	66.9
241.10724	13.0
245.73398	2.2
247.06860	2.1
259.25842	2.0
273.09064	4.1
289.06906	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	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	14.6
59.04993	4.4
69.03422	58.6
69.86159	13.2
69.86575	5.6
73.02915	11.0
79.28488	3.1
85.02891	44.1
87.04462	33.5
87.40779	2.5
91.05476	100.0
97.02885	52.9
98.20757	2.5
98.81765	2.7
105.07050	2.9
107.04948	6.3
115.03925	63.6
116.04214	3.2
127.03891	5.7
133.04955	70.0
139.03838	3.0
145.04953	9.7
150.07620	11.3
159.26744	2.8
163.05989	4.9
175.07484	3.6
205.08698	3.8
223.09631	6.7
241.07057	2.9
263.60727	2.8
273.12549	5.0
303.87479	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	420.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
55.05493	1.4
55.14283	0.8
56.05036	5.6
57.03423	2.0
58.99579	11.1
61.01123	1.4
64.05328	0.7
68.05022	1.8
69.07056	1.9
69.64944	5.2
70.02945	1.7
71.04932	0.6
71.21062	0.7
72.08146	0.8
73.01130	1.9
74.00644	1.8
76.01801	1.1
76.02225	20.7
79.05502	3.4
80.05020	1.1
81.07052	16.3
83.06096	1.8
84.04007	1.1
84.04504	18.9
85.01122	2.8
85.02914	0.7
86.00648	5.3
86.99049	5.1
87.02683	4.4
88.02197	2.6
90.05534	7.5
93.07039	0.9
94.06550	0.9
95.08599	4.1
96.08114	1.4
97.01091	1.6
97.06509	2.1
98.09690	10.1
98.20785	1.4
99.05578	1.2
99.08104	3.3
102.83243	0.6
105.06987	1.7
108.08099	0.7
110.09701	3.4
112.03958	3.7
113.04221	5.0
114.03735	1.4
115.05766	1.5
116.01669	25.1
116.07074	6.3
122.09657	1.9
123.08009	0.7
123.10373	0.9
127.05761	1.2
129.06570	3.2
129.07344	1.4
130.05020	3.2
130.06870	3.4
137.78647	0.7
139.05757	2.1
142.03189	3.1
142.04907	0.6
143.02737	0.9
144.00049	1.3
144.01137	17.1
144.06544	4.9
144.10168	2.4
145.01526	0.7
145.06815	0.7
149.58157	0.7
156.08420	23.0
157.06807	9.9
157.59486	0.7
158.02730	1.1
161.49957	0.7
170.11772	14.1
174.09480	14.1
176.03757	15.4
184.08040	0.8
187.05350	1.1
193.06389	8.0
210.11238	2.2
215.04851	1.3
230.08481	3.3
233.06004	1.8
256.09897	0.9
259.07474	1.2
273.12668	100.0
274.13312	3.9
277.80960	0.7
285.12680	1.9
287.56424	0.7
291.13672	1.0
313.12213	5.2
330.58636	0.7
331.13156	6.0
358.15176	0.7
402.16638	0.8
420.17810	1.6
430.30453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22287	3.8
52.70838	4.0
53.03940	4.6
55.01864	48.4
65.03928	12.2
67.05499	7.6
69.03418	4.9
71.07362	4.8
71.70528	5.5
71.70952	4.3
79.05490	14.7
81.07068	7.6
81.55141	3.5
85.02908	14.2
91.05487	19.1
93.07007	6.4
95.04980	9.9
95.08617	3.8
97.06512	4.5
103.05453	22.4
105.03442	4.4
105.07012	19.2
107.04950	16.9
109.10189	4.8
110.03652	7.5
115.05445	7.3
117.06999	7.1
118.04153	6.0
121.06451	8.0
123.04427	13.0
125.05980	9.0
131.04886	23.3
133.06476	12.3
137.05966	9.7
137.37976	4.1
144.05701	5.4
147.04340	7.0
148.05122	9.8
149.02312	5.0
149.05942	12.3
159.08044	6.8
161.05965	12.7
163.07544	14.5
167.05621	4.3
167.07028	87.0
168.07396	13.5
169.07607	6.9
171.04442	3.9
171.06555	7.7
173.05968	8.8
177.05441	50.1
181.04947	100.0
182.05283	7.7
183.06511	7.6
187.07538	6.5
191.07010	82.3
192.07539	5.0
193.08600	12.6
197.85770	4.3
205.08665	9.7
209.08093	70.7
217.08652	5.0
219.10199	10.6
247.09700	4.8
249.11366	5.6
265.10870	8.8
279.10553	4.3
287.05408	5.8
315.08636	9.7
319.60144	4.4
330.10938	23.9
351.12241	7.0
369.12991	5.7
419.15900	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	419.1337
Annotation	Pleuropyrone A
Peak:m/z	Relative Intensity
51.85276	0.3
53.67606	0.4
57.03401	1.2
61.02897	0.5
66.23751	0.4
68.18963	0.3
68.99457	0.3
68.99782	3.5
69.03403	0.8
69.66217	0.5
69.66624	3.0
72.21045	0.4
73.02914	4.0
81.03374	0.6
85.02864	1.5
91.05430	1.5
97.02871	0.5
103.05415	0.5
105.03377	3.4
107.04916	1.1
121.02829	0.8
123.04361	0.9
127.03879	0.5
131.04944	0.4
133.02821	1.0
137.02344	0.8
137.05943	0.5
141.06981	4.0
143.08479	0.6
152.06252	0.4
153.01759	1.5
153.06963	1.2
155.08530	1.3
161.05931	0.6
163.03862	0.5
165.07002	7.1
167.07094	0.4
167.08528	0.8
169.06497	3.8
171.08055	2.7
177.07051	0.4
178.07777	0.6
179.08569	1.0
181.06523	0.4
182.13907	0.4
183.08035	3.0
189.05507	0.5
193.06471	2.5
194.07330	0.4
197.05989	5.5
207.08049	1.4
210.06641	0.5
211.07516	11.5
212.07826	0.6
217.99754	0.4
219.01003	0.6
221.06012	1.1
229.08537	1.8
234.06502	0.4
235.07460	2.1
239.07019	100.0
240.07272	3.5
241.08563	1.1
251.06999	2.5
253.08504	0.5
257.08081	50.4
258.05597	0.5
258.08310	2.1
263.07022	3.4
264.07758	0.6
277.08640	0.9
279.06879	0.4
281.08099	3.8
287.05484	30.8
288.05704	1.2
297.05872	0.5
299.09042	0.7
301.08734	0.5
305.08099	0.8
315.06915	1.1
317.58209	0.4
327.15689	0.5
335.09125	1.3
347.08978	0.7
365.10110	0.8
383.11298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	16.7
57.37752	0.9
58.00645	1.0
58.28492	0.9
91.05469	2.1
94.71765	1.0
99.85300	1.1
100.77606	1.1
103.05538	1.5
105.07031	1.1
111.27982	1.0
117.07075	1.2
131.04936	2.1
157.42723	1.0
181.10138	4.1
222.88577	1.0
247.02788	4.9
249.04335	4.7
265.03833	15.3
267.05286	5.8
281.03351	1.9
283.04840	3.3
285.06638	1.2
288.05377	1.3
299.05997	4.8
303.05405	4.2
309.08023	1.2
313.07632	1.6
317.06870	2.9
319.06406	3.7
321.06415	2.2
327.09052	2.2
335.07822	1.2
337.07425	18.1
338.07529	1.5
340.06119	1.2
345.10440	1.0
355.08505	100.0
356.08847	4.4
357.06409	1.7
373.09543	47.9
374.09894	2.3
378.10123	19.6
379.10455	1.5
391.10443	1.9
396.11118	4.1
399.82608	1.1
401.21347	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00423	1.1
54.42551	1.1
54.64317	1.2
56.96306	1.7
56.96560	19.4
69.16649	1.2
70.20565	5.8
81.07018	1.4
91.05473	2.0
213.33630	1.3
217.05328	1.9
221.31526	1.2
221.37006	1.2
223.02724	1.6
223.06621	1.2
225.04268	3.5
233.87137	1.1
237.04251	1.5
241.05496	2.0
247.02780	1.3
251.02246	2.2
254.00986	4.1
259.06436	2.2
263.02246	2.1
265.03760	2.3
267.06781	1.4
269.03299	2.0
271.06400	1.3
272.02060	1.6
277.07672	1.5
285.04395	8.7
285.07205	1.9
293.08380	2.0
295.06396	2.1
300.64236	1.4
303.05499	3.9
309.07959	3.0
309.38934	1.2
311.09476	4.3
313.07434	5.2
327.09000	2.8
329.10760	1.7
331.08603	2.6
332.18881	1.3
334.11096	2.0
337.07446	9.8
340.97522	1.6
345.10226	1.3
355.08472	22.3
356.08670	1.4
357.06607	1.5
373.09540	76.5
374.09891	4.1
376.08170	1.6
378.10175	5.3
391.10611	100.0
392.10873	4.9
396.11188	21.6
397.11215	1.7
414.12323	10.9
415.12735	1.8
419.12564	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	417.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48979	1.6
53.64709	1.7
55.01864	1.8
55.05504	40.6
55.16519	1.6
57.03429	28.5
57.07073	31.7
65.24841	2.0
67.05499	55.9
69.06692	3.8
69.07062	68.7
71.04990	3.9
71.08626	15.0
71.72160	2.3
71.72532	2.6
72.83736	1.6
73.06553	2.4
75.04469	6.7
75.21776	1.9
78.05473	1.7
79.05486	27.1
81.07050	68.7
83.04967	6.1
83.08609	47.4
85.06528	3.6
85.10178	6.7
91.05455	8.6
93.07030	32.9
95.04969	3.0
95.08594	59.1
95.73141	1.7
97.06523	18.0
97.10155	26.7
99.08086	4.5
99.14427	1.7
100.66297	1.7
101.06012	3.2
105.07030	4.4
107.08585	26.8
109.10149	33.3
109.16520	1.6
111.08095	10.4
111.11701	4.5
113.06001	3.4
115.07594	4.4
117.48393	1.9
119.08583	5.3
121.10132	33.8
123.11701	20.1
125.09634	9.5
129.09114	5.3
131.07024	3.9
131.08586	2.3
133.10121	6.1
135.11684	27.5
135.47305	1.8
137.09570	4.3
137.13252	4.7
139.11145	11.8
143.10677	2.6
145.10139	3.3
149.13249	19.8
151.11188	4.2
153.12766	8.0
157.12161	2.3
163.14796	5.0
167.14293	4.5
171.13768	2.4
181.15903	2.1
185.15317	2.2
205.19498	25.0
215.17984	6.0
223.20560	22.0
224.20879	2.1
233.19006	6.0
251.20163	13.0
269.21130	3.6
269.52142	2.0
287.22144	100.0
288.22491	3.9
325.23758	31.9
326.24042	3.4
343.24759	40.5
368.79474	2.1
399.27466	11.9
400.27475	2.6
410.64639	1.6
417.28510	30.6
418.29077	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	419.097
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03426	0.7
61.02903	1.5
68.99770	0.5
70.66047	0.9
71.01352	0.9
71.42003	0.4
73.02911	11.2
85.02894	0.5
107.04927	0.7
111.00810	0.9
115.03909	0.9
121.02856	2.6
134.77301	0.4
137.02318	1.5
147.04300	0.7
153.01810	4.3
157.06494	0.6
159.04240	0.4
165.01826	2.5
165.94698	0.4
183.02831	0.7
185.06079	0.6
195.58928	0.3
202.16853	0.4
213.05487	1.2
226.45187	0.4
238.08199	0.4
241.04976	1.0
254.18301	0.4
258.05228	0.7
287.05475	100.0
288.05829	3.3
299.05264	0.4
299.76736	0.4
325.07217	0.4
362.17871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01868	3.0
55.05503	5.4
57.03415	3.9
65.03940	2.1
67.05492	4.0
67.72229	1.3
69.03422	3.7
69.07061	6.5
70.12402	5.0
73.02936	1.5
78.04702	2.8
79.05475	8.9
81.03366	2.8
81.07049	12.2
83.08636	1.8
85.02893	18.6
85.06535	1.3
87.04490	1.2
91.05463	4.8
93.07025	4.1
95.04959	3.6
95.08585	5.8
97.02899	3.6
97.06517	4.0
101.02397	1.5
103.05472	2.1
105.07037	4.2
107.04951	3.5
107.08578	4.1
109.02839	2.1
109.06519	5.3
109.10132	3.8
115.05417	4.1
117.07019	5.5
119.08564	4.3
121.06490	4.1
121.10114	2.4
123.04429	6.5
123.08058	64.7
124.05203	4.3
125.05981	2.4
127.03974	1.9
133.10081	1.7
135.08035	99.1
136.08383	1.6
137.02400	1.4
137.09619	4.9
137.13309	1.2
139.07597	1.9
145.06465	7.3
147.08069	1.7
149.09642	1.5
151.03960	2.3
152.04654	2.9
153.01779	9.9
155.06035	2.1
159.04489	1.3
159.08032	1.6
159.11707	3.3
163.07524	2.8
165.09109	2.7
167.07024	93.3
168.07365	2.6
169.08687	1.8
171.06555	2.6
171.51822	1.1
173.05965	12.9
173.13286	1.5
177.12732	13.0
181.04987	29.6
181.08569	100.0
182.08905	2.3
183.10158	67.0
184.10544	1.4
191.07059	3.9
191.14288	5.1
195.13823	1.5
205.08566	2.8
217.04982	1.7
219.02890	2.1
219.13713	2.7
233.08052	5.5
235.09682	3.1
237.14830	66.0
238.15213	3.1
245.04608	2.9
245.07774	1.2
255.06493	50.2
255.15855	6.2
256.06854	4.9
301.03510	1.6
319.04486	9.4
327.25061	1.6
329.02881	3.0
387.14233	11.1
388.14572	1.4
399.10703	25.2
400.10733	2.9
417.15591	21.4
417.24963	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38697	0.7
51.03457	0.7
53.03929	1.9
55.01856	1.2
55.05490	2.0
57.03439	1.2
60.14790	0.6
65.03919	2.4
67.05491	2.0
68.14635	0.8
69.03414	1.5
69.07043	1.2
70.06567	0.7
71.70821	1.1
75.04450	0.7
78.04700	3.1
79.05492	5.8
81.03394	1.4
81.07047	9.5
82.04193	1.2
82.06578	1.3
83.04990	0.7
85.02895	1.8
91.05467	3.1
92.05005	0.9
93.07025	0.9
94.06532	0.9
95.04956	1.9
95.08598	1.2
96.08109	2.1
97.02887	1.1
97.06531	1.7
103.05459	3.2
105.07021	2.0
106.04131	1.8
107.04953	5.1
107.08574	1.7
108.08120	1.2
109.02865	1.2
109.06482	0.8
110.03710	0.8
115.05430	3.8
117.07013	5.4
119.08617	0.9
120.08090	1.1
122.05961	1.0
123.04412	7.3
124.05232	3.5
124.06094	0.7
124.07597	5.9
129.07005	1.0
131.04903	1.8
131.08574	1.1
133.06483	1.3
135.07988	1.0
136.07549	1.2
136.11136	0.7
137.05978	1.3
138.05519	1.0
138.09132	1.6
142.02579	0.9
145.02890	0.9
145.06474	9.0
147.04465	0.9
148.05183	1.8
149.09705	0.7
150.05507	1.6
151.03873	1.6
152.03433	1.4
152.04652	2.8
152.06996	0.9
153.01787	1.0
153.05415	1.1
155.06021	2.1
161.05910	0.9
162.09103	2.0
163.07507	2.8
164.10672	4.1
165.05501	1.2
166.04967	9.9
167.07027	97.4
168.07434	2.3
171.06516	2.6
171.09152	1.7
173.05978	12.8
175.07587	1.1
176.03342	1.8
176.14294	1.3
177.05428	1.3
178.04973	1.0
178.12248	0.9
178.15775	1.3
180.13834	3.9
181.04944	35.7
182.05280	2.6
184.09944	2.2
185.10831	0.8
189.22362	0.9
191.07025	6.8
192.02917	0.9
194.04494	1.6
197.07088	0.9
198.07782	3.4
199.08604	4.5
199.12274	1.4
200.10748	2.5
201.05518	0.9
204.13831	8.9
205.08601	3.1
205.14467	0.8
206.15387	16.2
207.15825	1.1
208.16908	2.4
209.10715	1.7
211.08615	1.7
211.12283	1.3
212.09421	7.0
213.10135	3.1
214.10968	1.0
221.08157	0.8
222.14957	4.6
224.16438	2.5
226.07336	2.5
226.10927	0.9
227.08205	1.9
227.11746	8.5
228.10168	2.7
229.13237	1.5
233.08025	6.9
235.09659	3.4
237.10239	2.6
239.08246	1.4
240.08907	2.8
241.09732	4.3
242.10442	1.3
244.08441	2.0
253.09650	1.1
255.11264	10.4
257.09201	7.3
257.12784	1.8
258.09763	0.7
265.09561	1.9
267.06467	2.8
269.09119	1.7
270.09888	2.7
272.08337	0.7
272.11426	1.3
273.12363	3.2
283.10745	100.0
284.11133	4.2
285.08838	1.6
285.12210	2.2
287.10208	10.3
288.11005	2.8
289.08771	0.9
289.11646	0.9
297.07483	1.6
300.10965	1.5
301.11807	68.7
302.12149	2.4
307.09836	0.9
319.12848	61.1
320.13153	2.7
329.11279	20.2
330.11374	0.8
353.18530	1.6
357.17941	4.3
371.19415	0.9
381.17896	0.9
387.14398	12.5
388.14478	1.7
399.14758	1.6
399.19104	42.1
400.19434	1.8
417.15253	23.4
417.20309	21.6
418.15503	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	417.1539
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03934	0.7
55.01849	0.5
60.36462	0.4
61.02921	0.6
62.49963	0.4
65.03938	2.1
67.05500	2.1
69.03407	0.9
69.07039	0.5
71.73096	0.5
78.04716	2.7
79.05476	2.6
81.03387	0.6
81.07027	1.2
82.04167	0.6
83.04970	0.5
85.02902	1.9
91.05454	1.8
93.03397	0.6
93.07030	1.1
95.04942	1.4
95.54159	0.4
96.19183	0.4
97.06513	1.2
103.05466	2.0
105.07014	1.1
106.04124	1.3
107.04950	4.1
107.08575	0.5
109.06469	0.6
110.03618	1.1
111.04432	0.7
115.05450	3.7
117.07008	5.3
118.04186	0.5
121.09974	0.4
122.03535	0.4
123.04415	7.7
124.05213	2.7
125.05956	0.8
127.05421	0.7
128.34235	0.4
129.06926	0.6
131.04909	1.1
133.06435	0.6
135.04387	0.5
135.11639	0.4
137.05974	0.7
139.07607	0.4
142.02611	0.5
145.06479	9.0
147.04349	0.4
147.08049	0.6
148.05084	0.6
151.03903	1.6
152.04660	1.8
155.06033	1.9
163.07574	1.2
167.07027	100.0
168.07393	2.0
171.06563	1.8
173.05974	14.4
181.04944	29.3
182.05377	0.7
187.07446	0.4
191.07007	4.1
201.05426	0.7
205.08607	3.1
217.08542	0.8
233.08067	8.0
235.09621	3.9
255.15854	0.5
319.04544	1.5
329.10199	1.1
351.27496	0.4
357.13275	0.6
387.14355	12.3
388.14716	0.6
417.15488	21.4
418.15823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03926	0.6
55.01852	1.1
55.05492	0.8
61.31174	0.2
65.03937	2.0
67.05502	1.3
68.99790	0.4
69.03400	0.4
70.08190	0.9
70.08597	0.5
73.02888	0.3
77.03932	0.4
78.04702	2.9
79.05489	2.8
79.31207	0.2
79.97124	0.2
81.03431	0.5
81.07037	0.6
82.04183	0.8
82.59386	0.3
83.08608	0.6
84.04495	0.4
85.02887	1.5
91.05465	1.6
93.03368	0.6
95.04981	1.5
97.06495	0.6
100.11252	1.9
103.05468	2.2
105.03333	0.3
105.07024	0.4
106.04169	1.6
107.04944	3.9
108.02079	0.5
109.06509	0.4
109.10138	0.2
110.03637	1.1
111.04446	0.8
111.08102	0.4
115.05429	3.5
117.07005	5.5
118.04129	0.6
121.06498	0.3
122.03613	0.6
123.04418	6.9
124.05229	2.9
125.05977	0.9
127.05421	0.8
130.04141	0.5
131.04919	1.7
133.02719	0.3
133.06474	0.6
134.03607	0.5
135.04437	0.3
137.05966	0.8
138.03104	0.9
142.02547	0.6
143.04930	0.4
144.05658	0.3
145.06470	10.2
147.04405	0.3
147.07974	0.4
147.21950	0.3
148.05162	0.8
151.03879	1.1
152.04678	2.0
154.12326	0.4
155.04797	0.4
155.05994	3.0
155.07097	0.4
161.05951	0.6
163.07527	1.4
165.05476	0.3
167.07027	100.0
168.07361	2.2
171.06537	1.8
172.05118	0.3
173.05968	14.5
175.07536	0.6
176.04652	0.4
177.05470	0.3
181.04942	32.2
182.05272	0.9
182.15416	0.8
190.06067	0.3
191.07014	5.2
195.06447	0.5
201.05481	1.0
205.08647	3.2
209.16415	0.4
210.14899	1.1
217.08597	0.6
219.10109	0.3
233.08076	7.3
235.09613	3.4
277.02124	0.3
285.11447	0.6
319.04477	0.8
325.10571	0.3
329.10211	1.0
355.11792	0.3
371.14819	0.4
381.13211	0.5
387.14355	12.7
388.14545	0.5
399.14334	0.8
417.15436	22.9
418.15729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02370	0.3
55.01843	0.8
55.05489	0.4
65.03935	1.9
66.04684	0.4
67.05479	1.0
69.03403	0.4
69.07043	0.3
69.21900	0.2
70.40105	0.3
70.40441	1.0
77.03933	0.3
78.04704	2.6
79.05474	2.6
81.03399	0.5
81.07036	0.5
82.04170	0.9
85.02901	1.8
91.05460	1.3
93.03368	0.5
93.07043	0.3
95.04981	1.4
97.06496	0.9
98.21368	0.3
100.11224	0.5
103.05463	3.5
105.03370	0.6
105.07006	0.6
106.04184	1.6
107.04943	3.1
109.02841	0.5
110.03648	1.4
111.04430	0.9
115.05440	3.0
117.07008	6.2
118.04154	0.6
119.04910	0.3
119.08559	0.3
121.06445	0.4
122.03619	0.4
123.04421	6.8
124.05195	3.2
125.05954	1.0
127.05427	0.8
129.06964	0.4
131.04921	2.3
131.08546	0.4
132.05646	0.3
133.06445	0.7
134.03578	0.4
134.45280	0.3
135.04359	0.5
135.08107	0.4
135.36113	0.3
137.05952	0.8
138.03104	1.0
140.42079	0.3
142.02560	0.8
143.04875	0.4
144.05681	0.4
145.06471	8.8
147.04308	0.3
147.08041	0.7
148.05150	0.9
149.79781	0.3
151.03889	1.5
151.63892	0.3
152.04688	2.5
153.01714	0.3
153.05444	0.5
155.06035	2.1
156.83932	0.3
161.09601	0.3
163.07538	2.4
167.07019	100.0
168.07347	2.0
168.13811	0.3
171.06541	1.9
173.05966	13.2
174.06302	0.5
175.07437	0.5
181.04936	32.1
182.05313	0.7
187.07527	0.4
188.74519	0.3
191.07001	5.9
191.08690	0.3
195.06494	0.7
201.05441	0.6
205.08577	3.1
207.06522	0.3
207.10155	0.3
233.08075	7.2
235.07481	0.5
235.09651	3.6
241.08669	0.4
255.06511	0.6
263.09250	0.3
319.04507	0.5
329.10239	1.1
331.04517	1.1
332.04941	0.3
355.11829	0.4
356.12555	0.4
357.06079	0.3
367.11429	0.3
387.14355	13.6
388.14639	0.6
399.10162	1.4
399.15259	0.4
400.11234	0.3
417.15433	25.5
418.15918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03933	0.8
55.01868	0.5
55.05495	0.3
65.03934	1.9
67.05495	0.5
69.03415	0.4
69.53623	0.2
69.68610	0.5
69.69011	2.0
78.04707	2.5
79.05494	2.1
81.03403	0.3
81.07048	0.5
82.04181	0.9
85.02454	0.2
85.02899	1.4
91.05465	1.6
93.03405	0.5
95.04957	1.2
96.05733	0.2
97.06518	0.8
103.05466	1.6
105.03346	0.3
105.07030	0.6
106.04163	1.1
107.04944	3.1
108.02072	0.3
109.02847	0.4
109.06461	0.3
110.03666	0.5
111.04438	0.6
115.05448	2.9
117.07006	5.2
119.04866	0.3
121.02831	0.2
122.03643	0.4
123.04423	6.7
124.05200	3.1
125.05986	0.8
127.05437	0.6
130.04144	0.4
131.04912	1.2
133.02957	0.3
133.06487	0.3
134.03619	0.4
135.04434	0.3
137.05963	0.8
138.03085	0.5
139.03922	0.3
142.02576	0.5
143.04904	0.4
144.05731	0.3
145.06473	9.2
146.06877	0.3
147.04393	0.3
147.07979	0.6
148.05167	0.6
151.03865	1.3
152.04674	2.2
153.05437	0.4
155.04848	0.3
155.06006	2.8
161.06052	0.4
163.07501	0.9
167.07024	100.0
168.07309	2.0
171.06499	1.8
173.05969	15.6
174.06339	0.4
175.07500	0.6
179.38489	0.3
181.04941	25.8
181.97163	0.2
182.05334	0.6
187.07480	0.4
191.07019	2.8
193.08549	0.2
195.06502	0.6
201.05406	0.9
205.08580	3.0
207.10149	0.4
218.05742	0.3
221.08095	0.5
233.08055	7.8
233.10326	0.4
235.07466	0.4
235.09624	3.6
267.10168	0.3
298.40616	0.2
308.97131	0.3
323.09222	0.3
325.10391	0.3
356.62616	0.3
371.14896	0.4
381.13327	0.7
385.12643	0.2
387.14337	13.2
388.14725	0.5
399.14359	0.6
406.29416	0.2
417.15402	25.9
418.15625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
65.03921	1.5
67.05489	0.8
68.99763	0.9
69.03408	0.7
70.13949	0.7
70.14343	0.9
73.88829	0.3
76.11303	0.3
78.04712	2.4
79.05492	2.0
81.03403	0.8
81.07009	0.4
82.04191	0.4
85.02916	2.5
86.09684	0.7
87.65374	0.4
91.05450	2.0
93.03419	0.7
95.04958	2.6
97.02887	1.0
103.05457	1.5
105.03416	0.6
106.04182	1.7
107.04918	2.8
109.02853	1.0
110.03635	0.6
115.05437	3.0
117.07011	5.4
119.04936	1.6
121.02855	4.3
121.06485	0.5
123.04422	8.7
124.05197	1.8
126.44051	0.3
127.05417	0.7
128.06157	0.3
129.07039	0.4
131.04907	0.6
135.04410	1.5
137.05933	0.9
138.03087	0.7
142.02501	0.4
144.05684	0.5
145.06477	9.4
147.04393	5.3
149.02336	0.9
151.03888	1.2
152.04665	2.2
153.01810	0.8
155.06023	2.3
163.03893	3.9
165.01826	8.3
167.07030	100.0
168.07372	2.2
171.06497	1.0
173.05971	14.7
173.07491	0.7
174.06296	0.5
175.03877	0.7
175.07587	0.6
177.01830	5.1
177.05345	0.5
179.03419	0.6
181.04950	20.0
183.02888	7.0
187.03955	0.8
189.01765	1.7
191.03392	10.9
192.03648	0.4
195.02922	1.9
203.03354	1.1
205.05060	0.9
205.08607	3.6
207.02907	0.7
209.00931	0.5
209.04437	0.6
215.03386	1.1
217.01271	0.9
219.02875	19.4
220.03258	0.6
221.07976	0.4
231.02892	7.6
233.04434	0.8
233.08066	8.4
235.09630	3.5
243.02895	1.8
249.03915	3.4
261.03934	7.4
273.07541	0.5
279.04950	1.8
285.07605	9.8
286.08035	0.5
297.07697	6.5
311.08975	0.5
323.09171	0.4
339.08615	13.5
340.09042	0.6
351.08588	5.9
363.08817	1.9
369.09598	0.6
381.09641	2.6
387.09283	0.5
387.14371	14.6
399.10541	2.4
417.15479	28.2
418.15475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03426	1.5
61.02929	0.9
63.92938	0.8
65.03942	2.4
67.05505	1.6
68.99751	4.0
69.03406	1.1
69.91145	4.8
70.55008	0.7
75.95245	0.8
78.04712	2.2
79.05476	3.1
81.03436	4.2
83.04964	1.1
84.08135	15.9
84.43223	0.8
85.02901	6.1
91.05472	9.6
91.08485	0.8
93.03378	0.9
95.04960	9.9
97.02893	2.9
98.20739	1.1
103.03956	1.7
103.05450	2.3
105.03341	1.3
107.04937	6.4
108.98700	0.7
109.02872	6.6
111.00845	0.8
115.05444	2.7
117.07030	4.5
119.04922	9.6
121.02863	21.0
121.06474	1.7
123.04430	12.4
124.05205	1.5
127.03925	1.4
130.08636	9.1
131.04974	1.3
135.04433	6.3
137.02364	1.6
137.05988	1.5
141.01840	2.8
145.02740	1.1
145.06500	6.7
147.04399	31.7
147.11269	12.9
147.30672	0.8
149.02351	2.1
151.03903	3.2
152.04733	1.6
153.01804	5.3
155.06042	2.2
163.00282	0.9
163.03885	18.8
165.01822	46.0
167.07027	72.0
168.07372	1.2
173.05959	9.6
175.03926	2.6
177.01816	30.6
177.05356	0.9
178.99792	0.9
179.03310	3.7
181.04942	15.8
183.02888	30.4
184.03169	1.1
187.03885	3.6
189.01811	7.6
189.05435	1.0
191.03375	61.1
192.03755	1.7
193.01285	1.3
195.02870	11.3
197.00835	1.8
199.03970	1.0
202.41487	1.0
203.03392	5.5
205.01352	1.0
205.04927	3.8
205.08557	2.1
207.02841	8.7
209.00941	1.6
209.04425	6.0
215.03345	7.0
217.01295	3.1
219.02869	100.0
220.03191	2.6
231.02867	36.0
232.03157	1.7
233.04449	5.6
233.08076	5.5
235.09702	2.6
237.03998	3.6
243.02855	10.1
249.03938	17.1
257.04276	0.8
261.03925	40.0
262.04379	1.4
273.07556	3.9
279.04895	9.0
285.07553	46.3
286.07956	2.2
297.07700	34.9
298.07928	1.6
309.07571	2.1
311.09161	1.2
339.08609	69.5
340.08948	5.2
351.08603	29.6
352.08966	2.6
358.23389	0.7
363.08658	13.0
369.09705	3.4
381.09634	13.1
382.10117	1.3
387.14374	8.3
399.10760	15.0
400.11005	1.2
417.15735	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	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	47.0
69.07052	11.8
70.03902	24.1
70.04313	23.4
76.55259	8.8
81.46088	10.9
84.96017	17.4
85.02901	21.4
86.09691	16.1
91.05772	27.1
97.02865	16.3
98.97588	89.7
110.97582	19.7
116.98631	66.9
119.01888	14.3
128.98566	25.3
134.99635	45.8
139.03935	18.9
146.99677	25.5
152.05679	68.8
153.01820	24.4
155.92253	9.9
157.38785	8.8
158.99672	20.5
159.93042	9.8
161.01158	20.4
177.00743	33.1
189.00580	12.5
194.22220	8.7
213.00717	11.3
219.01724	22.0
234.99025	14.6
237.02756	60.7
245.04991	13.4
253.03854	10.5
259.96304	12.3
295.04990	23.6
344.97705	15.7
373.08032	32.2
384.75415	10.7
415.04489	16.1
415.09726	100.0
439.20959	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	415.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01862	2.1
55.05243	1.7
55.05508	31.6
57.03433	10.1
57.07073	13.1
61.02920	1.6
65.03925	1.1
67.05498	20.6
68.99770	1.7
69.03419	0.9
69.07063	38.1
71.04957	2.2
71.08621	8.3
79.05488	11.9
81.07053	31.3
83.04987	2.9
83.08617	26.0
85.06528	1.4
85.10181	3.0
87.00834	15.2
91.05461	9.0
93.07039	17.6
95.04919	1.4
95.08603	25.5
97.06509	5.4
97.10162	16.3
97.51271	0.9
99.08094	1.0
101.06023	1.0
103.05441	1.1
104.06281	1.2
105.01859	6.9
105.07010	2.7
107.08585	10.2
108.35949	1.0
109.06538	1.6
109.10143	8.9
111.08068	4.4
111.11726	3.5
115.03932	1.4
115.07574	2.0
117.07018	3.2
119.04975	1.4
119.08573	100.0
120.08903	4.4
121.10139	13.1
123.11689	7.9
125.05982	1.3
125.09631	3.4
127.07597	1.2
133.10112	1.4
135.11687	13.4
137.13229	4.4
139.07562	1.3
139.11177	2.0
141.14302	0.8
143.03387	2.6
147.04411	8.4
149.13263	6.8
153.12752	2.3
161.04532	1.0
163.14838	4.1
165.05464	1.2
167.14357	1.7
177.16423	1.1
181.12216	1.1
181.15868	1.9
199.17020	1.3
219.21082	18.2
237.22137	44.8
238.22467	3.5
243.21149	1.4
255.23203	28.2
256.23514	2.1
277.21808	1.8
279.23254	2.1
293.90417	1.0
295.22647	2.0
296.25711	1.0
297.23962	1.0
311.25992	1.6
323.22192	4.1
329.26825	7.2
341.23175	6.3
380.37589	0.9
397.25772	4.7
397.30600	1.3
415.26797	16.8
416.27206	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	415.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14183	7.2
57.99072	5.8
70.11256	24.7
70.11668	15.4
76.01234	6.6
119.01900	13.3
200.17368	8.2
243.13322	7.0
245.05125	14.0
253.01884	9.2
326.19833	7.8
355.05182	17.8
369.00452	8.5
373.06293	7.3
415.09933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01873	1.9
56.96566	12.9
58.99862	3.0
61.02918	2.3
69.03432	9.1
70.06596	1.4
71.95246	1.1
77.00903	2.8
81.03422	7.1
82.99869	2.3
85.02898	16.9
86.99320	1.2
87.04433	1.3
88.50371	1.2
90.47743	1.3
91.05807	2.8
97.02892	20.2
98.97586	6.6
99.04454	2.0
101.00888	8.8
105.00372	2.6
109.02868	6.1
113.00826	3.1
115.02441	3.3
116.98634	3.0
119.01914	44.7
120.01993	2.7
127.02472	2.2
127.03900	4.5
131.01912	20.7
133.03491	5.0
134.99678	2.4
137.02995	11.1
139.02370	4.2
139.03937	2.2
143.00159	2.6
143.01874	9.1
143.03441	1.9
143.73691	1.2
144.02693	2.5
145.03450	29.8
147.01270	1.8
149.02954	3.1
153.01819	24.6
155.01883	14.4
157.03484	14.6
159.01453	1.5
160.97539	1.3
161.01378	2.4
161.02954	22.6
163.04521	7.5
167.01895	4.4
169.03459	2.8
172.97714	1.9
173.02966	21.5
174.98944	2.1
175.04541	4.1
179.01923	1.9
179.03906	1.5
181.03529	1.9
185.02940	28.4
186.03345	1.5
186.99237	1.5
187.03085	1.4
187.04507	7.1
188.97018	2.2
190.98698	2.6
191.01974	1.5
191.04097	2.1
192.99930	2.6
194.04539	1.7
195.05095	1.6
197.02951	15.8
199.04591	3.1
201.00786	2.3
201.02631	1.6
203.04015	15.5
205.05574	1.5
208.04561	1.3
209.02971	5.4
211.00896	37.0
211.04478	2.0
212.01173	1.9
215.04025	4.7
219.01692	1.8
221.05043	13.0
223.04584	2.1
226.05678	1.7
226.98633	2.7
227.03958	7.5
229.01955	16.5
230.98036	1.5
232.99699	1.8
234.02521	1.3
234.17001	1.2
235.00894	5.5
235.04575	2.4
235.06956	1.4
237.02602	3.0
239.04002	2.9
241.05626	1.4
244.99780	9.6
245.05070	77.0
246.05246	2.4
247.00847	2.1
247.03003	25.0
247.05392	2.0
248.03268	2.3
248.99323	1.9
249.02567	3.5
253.01819	8.1
253.08212	4.2
257.02017	1.3
261.02444	2.2
263.00824	11.5
263.04092	2.2
263.06201	27.4
264.06381	2.0
265.02005	2.9
266.08578	1.5
267.00555	1.5
267.03571	3.3
271.03061	15.7
272.03339	1.7
273.04547	2.0
277.01990	3.5
279.03546	4.6
281.01651	3.9
283.06650	1.8
285.04599	4.1
286.07886	4.8
289.01797	2.4
295.02881	9.9
297.04617	6.3
307.03018	12.1
311.06018	7.7
313.04123	6.5
315.05618	3.0
325.03842	7.5
330.04370	1.8
337.03937	9.7
355.05075	100.0
356.05191	6.2
358.99500	1.9
373.06143	50.8
374.06299	3.4
388.61829	1.3
396.07852	8.1
397.08032	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.9
55.05502	11.5
57.03442	24.8
59.24104	4.1
67.05500	38.3
69.03419	40.0
69.07066	10.0
71.04993	10.3
71.43353	7.1
71.43673	3.7
73.02930	6.0
79.05494	18.1
79.23986	3.4
81.03412	60.3
81.07056	59.1
83.04961	22.8
83.08626	11.5
85.02908	21.5
91.05486	15.1
93.07030	32.2
95.04964	5.7
95.08607	20.8
97.02885	30.9
97.06538	10.0
99.04470	11.3
104.84637	4.2
105.07018	10.8
107.08587	17.3
109.02914	10.2
111.04472	8.6
117.07022	14.4
119.08553	8.8
121.06494	3.9
121.10144	5.1
123.11638	4.4
127.03906	16.8
129.05447	4.6
131.08578	13.7
133.10136	15.7
135.11708	11.0
147.11610	6.8
149.13225	28.7
153.64742	3.5
159.11728	20.8
165.12823	7.0
177.12709	16.1
183.06636	4.1
191.45155	4.1
193.41272	4.6
195.13782	31.9
206.88365	3.7
213.14842	10.9
269.17480	16.1
309.71814	4.5
339.17905	10.2
395.20602	5.0
413.21729	100.0
413.32315	7.3
414.14767	5.6
414.22031	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	413.141
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.14501	1.0
74.06055	2.2
77.57549	1.0
85.07652	3.3
90.89620	1.1
92.92023	1.3
98.21471	2.4
114.53739	1.1
119.03503	2.0
120.06575	7.7
127.03911	1.9
136.06175	100.0
137.04558	1.5
139.03899	3.2
140.58041	1.0
147.31593	1.2
149.60553	1.2
153.01801	5.8
162.04100	57.1
171.39960	1.2
281.09909	50.5
281.13000	2.4
287.05475	2.2
309.60944	1.3
357.91437	1.3
413.09106	1.9
413.14120	20.6
413.19202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2143
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
62.77916	0.5
63.05408	0.5
67.05465	0.5
70.06589	1.0
71.70293	1.1
77.70273	0.5
84.08142	0.6
86.09717	0.9
89.64694	0.6
97.50257	0.5
105.07053	0.6
131.04906	0.7
137.05989	0.9
139.03918	2.2
140.04205	1.3
154.78618	0.6
169.41595	0.6
223.22974	0.7
287.05368	0.6
316.97452	1.2
354.56097	0.6
372.96680	0.8
380.91043	0.7
390.97513	7.3
395.19934	0.9
404.95334	5.3
407.98846	3.3
408.98547	7.9
413.21448	100.0
413.98965	3.9
414.21814	2.3
432.00140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84029	0.2
52.75417	0.2
65.03920	0.5
68.05048	0.3
68.99772	0.9
69.03412	0.4
69.41571	1.4
69.41998	0.9
73.02893	0.7
78.03445	1.1
78.74099	0.2
79.04240	0.2
79.05451	0.3
80.05011	3.1
85.02890	1.0
91.05425	0.2
96.04486	2.9
97.02865	0.6
100.40338	0.2
106.02914	2.9
111.00788	1.9
111.04445	0.3
114.20017	0.2
115.03934	0.3
117.03408	0.2
117.30340	0.2
121.02871	0.8
123.04410	0.4
123.11043	0.3
124.03941	100.0
125.04279	1.4
127.03910	0.8
133.02832	0.4
133.04976	0.4
136.72940	0.2
139.03889	36.0
140.04251	0.7
145.02834	0.2
145.04916	0.3
149.05943	0.3
150.16293	0.2
151.03893	2.8
159.04350	0.3
161.05963	0.3
163.03897	6.2
177.05440	0.3
179.06934	1.0
184.07289	0.3
205.04977	2.1
244.06023	0.3
256.06094	0.3
271.03619	0.2
271.06198	0.2
274.07294	0.4
286.07236	0.3
289.07047	10.3
290.07419	0.5
312.94931	0.2
394.09360	0.4
412.10287	8.2
413.10376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21910	0.7
55.05502	1.2
56.96546	1.0
57.07074	6.4
58.06594	1.5
61.02880	1.0
65.03924	2.4
67.05478	2.5
69.03406	1.3
69.07053	1.4
69.61349	5.9
70.06586	21.1
71.04957	0.6
71.08611	3.1
79.05483	0.9
81.03411	1.6
81.07037	2.3
85.02866	1.1
86.63139	0.7
88.07624	23.9
93.07017	0.9
95.04965	1.2
97.02881	1.0
102.09174	16.3
105.06985	1.1
107.08590	0.8
109.10117	1.5
119.08563	0.9
121.02836	0.7
135.08052	1.2
139.03937	2.2
149.02339	71.4
149.03400	3.5
150.02681	1.0
156.17490	1.1
161.01208	0.7
191.14333	1.5
193.04955	67.8
194.05261	1.7
200.20082	70.0
201.20435	1.9
237.07561	81.6
238.07841	3.1
244.22618	1.2
267.08960	1.1
285.10031	2.6
324.11407	1.0
365.15823	1.1
380.92633	0.7
410.25348	100.0
411.25659	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	411.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
55.01857	6.8
55.05508	81.6
56.05827	1.5
57.03431	14.8
57.07051	4.4
65.03923	3.8
67.05499	70.4
69.03406	4.9
69.07065	25.4
71.04959	5.5
71.08604	2.2
71.72937	3.1
74.38280	1.6
79.05486	72.3
81.03417	4.5
81.07050	100.0
82.12248	1.6
83.04973	13.8
83.08614	34.3
85.06526	4.6
91.05475	23.7
93.07034	56.1
95.02618	1.6
95.04960	7.6
95.08601	25.7
97.06526	13.2
97.10165	46.4
99.08073	3.6
105.07026	14.5
107.08586	50.0
109.06518	3.1
109.10149	5.1
111.08047	6.5
117.07011	9.5
119.08565	3.2
121.06443	2.1
121.10132	18.1
123.11686	2.6
125.09621	34.6
131.08577	9.8
133.10124	10.9
135.11702	9.8
143.10640	9.6
144.95973	1.6
146.55357	1.6
147.11662	3.2
149.12125	2.8
149.13249	34.5
151.11128	2.0
159.11684	16.9
177.12766	11.3
195.13792	14.0
199.13271	32.8
254.85594	1.7
269.17459	31.7
301.21265	2.0
319.22751	2.6
393.26376	9.8
411.19684	2.9
411.27390	46.2
412.12061	2.1
412.27673	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	409.3825
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05502	17.5
57.07058	8.6
65.23304	3.1
67.05502	27.4
69.07059	49.3
71.15914	9.2
79.05466	14.8
81.06331	3.5
81.07050	84.3
83.08608	11.2
91.05464	7.2
93.07024	28.5
95.08012	6.1
95.08596	100.0
97.10173	7.7
105.07010	23.7
107.08585	30.4
109.10156	46.3
111.11715	4.8
119.08576	25.4
121.10110	31.7
123.11694	27.6
133.10115	19.8
135.11673	18.8
137.13254	24.7
138.08430	4.0
145.10075	11.8
147.11703	21.2
149.13251	15.1
151.14841	3.7
159.11699	11.6
161.13234	14.4
163.14806	9.6
173.13264	9.4
175.14772	9.2
177.16405	9.6
187.14845	4.5
189.16379	6.1
191.17964	7.2
203.17957	6.8
215.17999	6.4
217.19493	4.4
229.19466	8.0
231.21042	15.5
245.22615	4.8
257.22559	5.6
259.24115	9.6
271.24164	12.9
285.25732	5.4
399.56924	4.2
409.38263	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52851	1.1
53.03944	1.6
55.05510	10.0
57.07062	3.3
58.95602	1.0
65.03926	1.3
67.05502	22.1
69.06702	1.4
69.07066	23.9
69.68804	5.0
69.69215	3.1
74.96555	1.1
75.25134	1.0
79.05495	13.4
79.25172	1.2
81.03432	1.0
81.07055	39.4
83.08617	8.9
91.05477	17.7
93.07037	39.1
95.05001	2.5
95.08599	72.4
97.06535	1.6
97.10161	4.7
98.21511	2.0
101.04562	1.0
101.88852	1.0
101.94855	1.0
105.06350	2.0
105.07024	30.9
106.56918	1.2
107.04937	1.2
107.08585	69.3
109.06513	1.2
109.09421	2.3
109.10147	37.0
111.08047	2.4
111.11701	1.9
117.06993	3.9
119.07752	2.3
119.08571	32.8
121.06528	2.0
121.10133	53.0
123.11693	10.7
129.07083	1.2
131.08530	7.2
133.10123	31.7
135.08051	3.5
135.11682	24.0
137.13257	3.5
143.08565	3.1
145.10120	16.6
147.11684	25.7
149.09657	1.4
149.13249	39.3
151.14716	1.5
157.10138	3.6
159.11685	12.0
161.13264	12.9
163.11194	12.2
163.14810	25.7
171.11662	2.8
173.11952	1.4
173.13213	6.9
175.11121	2.1
175.14810	24.3
176.15129	1.1
177.12793	4.5
177.16374	45.8
178.16753	1.5
187.14812	18.1
189.16368	22.5
191.14302	1.1
191.17931	9.8
197.13316	1.6
199.14790	2.1
201.16414	9.6
203.17946	100.0
204.18318	3.4
205.15868	65.6
205.19540	4.0
206.16219	2.3
207.17383	1.5
213.16394	3.3
215.17963	6.1
217.15944	1.6
217.19504	3.1
219.17433	8.6
227.17946	1.7
229.19537	2.6
231.17390	5.2
233.19209	1.2
243.21082	2.1
245.19101	1.2
248.45630	1.1
255.21066	2.4
259.20663	1.7
267.21063	1.2
273.45529	1.2
274.20831	1.1
313.25232	1.6
339.26962	1.1
381.35074	3.5
391.33685	8.4
409.34622	75.9
410.34995	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01857	2.2
55.05503	20.7
57.07067	6.1
58.87939	1.7
59.04993	3.0
65.03929	3.3
67.05500	23.2
69.03414	5.6
69.07065	7.6
69.47415	10.2
69.47842	6.1
71.04970	2.0
71.55778	1.6
74.82360	1.7
79.05494	18.1
81.03416	2.8
81.07047	28.3
83.04974	5.6
85.06524	2.5
91.04929	3.7
91.05475	41.1
92.05753	1.7
93.07037	44.2
95.04959	46.1
95.08591	31.6
97.06528	6.4
103.05446	3.5
105.07022	100.0
107.08579	27.9
109.06512	11.7
109.10143	9.6
111.08100	3.5
115.05434	2.7
116.06200	1.8
117.06981	13.0
119.04939	2.2
119.08568	61.1
121.06503	17.1
121.10120	14.4
123.08048	17.5
128.06232	5.0
129.07014	5.7
130.07776	4.5
131.08562	22.7
132.09250	1.8
133.06479	4.5
133.10110	18.0
134.42929	1.8
135.08044	12.2
135.11678	4.8
137.09616	7.8
141.06967	3.8
142.07790	10.7
143.08551	15.1
144.09276	3.9
145.06441	3.5
145.10097	34.1
145.11244	2.1
146.10898	2.4
147.08041	13.2
147.11676	40.8
148.08768	2.1
149.09631	12.2
149.13254	3.0
151.07544	20.7
153.07080	2.0
153.09123	3.2
155.08565	7.7
156.09354	6.1
157.10130	21.0
158.10942	2.1
159.08090	4.4
159.11670	11.3
161.09624	6.0
161.13271	2.9
163.11156	4.1
165.09097	33.5
166.09462	1.9
167.08566	3.1
168.09361	3.3
169.10136	7.9
170.10997	2.8
171.11725	8.3
173.09636	7.2
173.11902	1.9
173.13289	7.3
175.11177	26.0
175.14769	2.8
177.09119	3.3
179.08533	2.2
181.10118	3.9
183.11682	8.7
185.13297	3.6
187.11195	2.5
187.14825	3.3
189.12770	6.5
189.16376	2.0
195.11646	2.7
196.12523	2.1
197.13290	3.7
199.11340	3.1
199.15009	2.0
201.12782	5.8
201.16490	2.5
203.14307	15.9
207.11923	2.5
207.13782	10.0
209.13411	3.9
209.15392	4.9
211.14870	5.4
215.14398	2.0
216.15086	2.3
219.13861	3.1
221.15349	60.5
222.15765	2.5
227.14374	3.4
229.15877	6.6
231.13799	4.0
234.16124	17.9
236.07883	2.1
286.19196	2.3
287.20065	7.5
300.20749	5.2
329.21057	5.4
337.64505	1.9
391.26373	4.6
392.31491	2.3
409.27332	36.3
409.34976	3.5
410.28210	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44107	1.8
51.02379	2.2
53.03921	5.2
55.01874	2.0
55.05502	23.1
57.07064	7.6
59.04988	2.3
65.03922	2.0
67.05493	24.4
69.03410	7.5
69.07050	8.6
79.05481	22.6
81.03394	3.9
81.07047	30.9
83.04955	5.0
91.05463	33.8
93.07024	46.4
95.04406	3.8
95.04961	45.0
95.08596	37.5
97.06513	6.2
98.21445	6.7
100.44789	1.8
103.05446	3.5
104.09477	1.8
105.07018	100.0
107.08581	25.8
109.06525	12.4
109.10155	12.2
111.08063	2.7
115.05396	3.3
117.07001	13.8
119.04923	2.4
119.07751	3.2
119.08567	62.9
121.06482	13.8
121.10107	17.0
123.08036	15.0
123.11684	4.9
128.06227	3.5
129.06961	7.3
129.92894	2.1
130.07744	6.4
131.08565	17.6
133.06523	4.6
133.10129	18.7
135.08044	13.5
135.11671	8.4
137.05995	1.9
137.09598	7.9
137.69461	2.1
141.06955	4.2
142.07774	10.3
143.08531	14.7
144.09215	2.7
145.10104	33.4
146.10933	2.2
147.08049	15.0
147.11668	40.5
149.09642	11.8
149.13321	3.5
150.10364	2.7
151.07524	17.8
155.08522	5.1
156.09329	4.3
157.10094	19.3
159.08125	4.6
159.11655	14.3
161.09602	6.7
161.13234	5.6
163.11201	6.0
165.09099	32.9
167.08549	2.7
168.09349	5.2
168.86351	2.0
169.10091	7.8
170.10756	2.1
171.11609	9.1
173.09636	4.6
173.13269	7.6
175.11169	29.1
177.09198	2.6
181.10065	3.6
181.12047	2.4
183.11685	9.1
185.13242	7.2
187.11168	4.0
187.14795	5.5
189.12686	5.2
189.16333	3.9
193.10176	2.4
195.11639	2.4
197.13126	2.7
199.11179	2.9
201.12679	6.9
201.16331	3.4
203.14253	12.7
203.61745	1.9
207.13776	7.3
209.13301	3.4
209.15237	3.3
211.11090	2.1
211.14835	3.8
215.14297	2.8
216.15060	2.4
219.13844	3.9
221.15340	58.2
229.15816	3.3
229.47920	2.6
231.13956	2.7
233.15549	3.0
234.16087	17.4
240.78334	2.1
253.15758	2.6
286.19064	4.3
287.19928	5.9
300.20755	6.0
329.21130	4.0
392.31314	3.0
409.27252	26.7
409.34540	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79588	0.3
64.37534	0.3
71.71841	0.6
72.42239	0.3
78.98701	0.3
105.03397	0.4
106.13750	0.3
107.01084	0.4
107.67213	0.3
137.05981	0.4
139.03888	0.4
154.34996	0.3
175.03906	0.4
189.04823	0.4
195.54326	0.3
247.13063	3.2
302.43988	0.4
335.08951	0.4
366.15240	0.5
390.58127	0.3
409.18314	100.0
410.13757	0.8
410.18665	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80902	1.6
55.01852	4.7
55.05514	2.6
56.05034	12.6
56.05846	2.2
57.03426	8.2
57.05352	2.7
58.99578	6.6
59.50499	1.5
60.99155	12.4
61.99483	2.4
67.05471	3.2
68.05014	3.5
68.60181	1.7
69.03374	2.0
69.07059	2.9
70.02949	2.9
70.06583	3.5
71.70269	2.8
74.02413	2.1
75.00705	3.0
76.00234	2.4
76.02216	10.0
76.03986	3.0
78.01797	24.3
79.05474	4.4
80.05817	2.9
80.51580	1.7
81.07053	23.7
82.07375	14.1
83.06115	3.3
84.04018	2.6
84.04499	35.3
85.01114	1.6
85.04813	10.1
86.00677	2.1
86.99062	3.6
87.00655	3.0
88.00234	4.0
88.98616	7.7
89.02260	5.8
89.98951	3.1
90.02581	2.3
95.08617	4.4
96.08919	3.3
97.06516	2.2
98.06863	2.0
98.09684	16.2
99.08073	5.2
99.10011	10.3
100.08424	3.3
102.05541	6.7
103.05858	2.4
105.06989	2.3
110.09682	3.5
112.03954	3.3
113.04269	4.5
114.04531	2.7
115.03800	6.2
116.01694	4.8
116.04156	3.3
117.01972	4.6
118.01241	21.2
119.01582	8.0
122.09614	1.9
129.06586	4.2
130.04993	6.9
130.06880	2.9
131.05327	2.8
132.06480	4.0
139.03917	2.9
144.01152	2.1
145.06042	2.4
146.00685	8.2
147.01097	3.3
153.23300	1.6
156.08435	6.6
156.10199	11.6
157.06726	2.6
157.08752	5.2
157.10504	10.5
158.08014	15.1
158.09094	2.5
158.10654	2.3
159.06378	7.3
159.08371	10.6
160.06744	7.2
162.02176	4.1
163.02441	3.1
164.01662	15.9
165.02119	7.7
174.09435	3.1
176.09000	8.2
177.09340	7.8
181.04456	5.5
182.04851	3.2
213.10062	1.8
217.07237	1.9
217.93019	1.7
218.06398	3.0
219.06841	3.4
229.09621	2.2
239.08119	4.1
241.09682	3.7
243.11356	4.9
253.09787	2.3
259.11102	9.8
260.11401	21.1
261.10675	50.8
262.11026	100.0
267.11371	2.3
268.08392	2.8
271.10669	8.9
277.11899	2.4
280.12054	1.7
285.08768	2.9
285.12326	2.7
303.09921	2.1
313.08197	3.0
313.11743	3.4
316.12115	4.5
323.10345	3.6
331.09235	3.9
334.13306	6.7
341.11322	7.2
345.14514	2.4
349.10281	4.9
359.12448	2.0
373.13824	6.3
391.14972	11.5
396.56912	2.1
409.10944	14.1
409.16083	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	409.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05499	2.2
55.05746	0.6
56.05029	1.3
57.03436	1.6
58.99572	1.6
60.99155	2.7
76.02209	2.0
78.01805	3.5
79.05473	1.0
80.05823	0.9
81.07055	4.1
82.07381	2.5
82.07854	0.6
83.06080	0.6
83.08602	1.9
84.04501	7.9
84.08935	1.7
84.16835	0.7
85.04829	1.7
86.00706	0.6
86.99038	1.1
88.00235	0.8
88.98657	1.5
89.02304	0.8
91.78624	0.6
95.08586	0.9
98.09673	2.8
99.08108	1.3
99.10008	2.1
102.05547	1.4
116.01682	3.8
117.01968	1.5
118.01237	4.1
119.01587	1.3
129.06587	0.9
130.04993	2.0
130.06923	0.8
133.82593	0.6
136.07536	0.7
142.95233	0.6
144.01140	2.8
145.01390	0.9
146.00699	1.4
156.08435	0.9
156.10117	1.4
157.10558	1.5
158.08006	2.1
159.06346	1.2
159.08327	3.5
160.06737	0.9
160.08727	1.4
162.02193	4.9
163.02518	2.6
164.01701	4.1
165.02106	1.2
175.09724	0.8
176.09068	1.4
181.04379	1.4
198.07941	1.2
199.08685	1.5
200.09319	0.8
210.07845	1.0
211.08707	4.9
211.12006	0.9
212.09302	1.6
213.10245	2.6
215.11777	1.5
217.09697	1.5
218.06262	0.8
225.06731	1.2
225.10242	5.4
227.08151	1.5
229.09724	3.0
231.11148	0.7
239.08078	6.3
239.11678	4.6
240.08926	2.5
241.09697	5.0
241.13330	1.3
242.10460	1.4
243.07675	1.5
243.11272	6.7
253.09706	8.0
254.10382	1.1
257.09268	2.6
257.12900	1.3
258.09903	1.2
259.10919	5.0
260.11420	4.2
261.10638	7.8
262.11026	17.2
263.11362	3.2
266.07208	0.7
267.07654	2.5
267.11267	4.9
268.08414	6.0
271.10757	26.9
272.11139	1.5
273.12350	1.7
275.10239	2.0
277.11890	3.7
280.08539	0.8
281.09137	1.1
282.09802	0.9
285.08682	2.5
285.12320	4.1
287.13803	0.8
288.12479	1.0
289.11896	1.6
295.10818	4.4
297.12411	1.0
299.14044	0.8
300.11194	1.4
303.09988	1.1
303.13303	1.6
313.11758	6.0
314.12598	0.8
317.11258	2.1
323.10269	9.2
327.13376	1.7
331.12927	0.8
334.13895	0.9
335.12149	3.3
341.11282	12.6
345.14478	2.7
349.14139	1.7
355.12830	3.3
359.12369	2.4
373.13950	14.2
374.14148	1.0
377.13370	0.8
391.14981	21.9
409.16043	100.0
410.16562	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	408.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
55.05491	4.8
57.03438	1.7
60.88670	1.3
63.87506	1.5
67.05496	12.3
69.03413	4.2
69.07065	6.9
71.04993	2.7
71.71159	1.5
71.71533	1.9
73.93418	1.5
79.05473	7.3
81.03385	2.7
81.07053	37.2
83.04965	2.5
83.08601	4.8
85.02895	12.9
85.06537	2.5
91.03916	1.7
91.05465	9.7
93.07039	7.1
95.04965	1.8
95.08600	8.4
97.02886	5.8
97.06505	3.5
99.04453	2.3
99.08102	1.8
101.05985	2.0
105.07018	19.0
107.08595	7.0
109.06525	3.3
119.08577	14.8
121.10133	17.5
123.08043	3.4
123.11690	23.9
127.03916	3.5
127.07535	3.0
133.10118	2.4
145.04961	2.7
147.11671	58.6
148.12074	2.1
165.12750	36.8
165.14091	2.7
180.08624	3.4
183.13794	16.5
193.12267	5.5
211.13225	7.8
229.14333	100.0
230.14792	3.1
248.27820	1.4
274.79434	1.4
275.63403	1.5
298.53348	1.5
330.92447	1.4
409.16205	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	407.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
57.07074	8.9
57.11201	1.4
65.03918	5.1
67.05502	27.7
69.07073	7.8
70.88987	2.5
70.89326	2.5
71.04973	5.6
71.08619	7.1
75.32635	1.4
81.07039	5.4
83.08597	3.2
85.10166	2.5
93.07042	2.8
95.04958	9.8
95.08591	5.0
97.10133	3.6
99.04466	8.8
100.32406	1.6
107.08574	4.4
109.10146	3.4
111.11672	1.8
113.05989	6.5
118.58717	1.3
119.08566	3.0
121.10129	2.8
121.20859	1.3
123.04437	18.7
125.05979	9.4
133.10085	1.7
138.11780	1.6
139.07530	4.6
141.05464	100.0
157.93793	1.5
161.13229	1.6
173.13339	1.5
179.06946	1.4
193.12196	2.0
329.31943	2.1
347.32901	2.1
365.33969	1.6
389.34122	8.5
407.35220	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	408.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68885	0.5
55.01872	0.5
56.36968	0.5
67.01842	1.1
68.99799	2.8
69.03419	1.2
70.06573	0.9
71.28530	0.5
71.71304	0.6
72.12746	0.4
81.03415	1.2
81.07045	0.6
86.09695	0.6
95.04948	0.6
95.25848	0.5
107.14713	0.5
111.00781	1.5
111.93058	0.5
113.00574	0.6
121.02904	1.0
123.04418	1.4
134.03590	1.2
135.04417	0.7
137.00557	0.6
137.02310	1.0
139.02090	1.5
141.00029	1.4
147.02654	0.6
147.04390	0.7
149.00505	0.6
149.02341	1.7
153.01813	100.0
154.02145	2.1
163.03931	0.8
165.00041	2.5
165.01875	1.3
167.01602	8.6
170.53438	0.5
171.02876	2.1
173.00606	1.4
175.02209	0.6
177.01811	3.5
179.01628	2.3
179.03375	8.3
183.02919	1.0
187.03899	0.7
192.99586	2.3
193.03134	0.9
201.00087	2.7
202.02673	0.6
203.01535	2.6
205.01305	1.2
207.01053	1.6
211.00685	1.2
212.04752	0.6
213.05405	0.6
215.01576	0.9
215.49876	0.5
216.04146	1.0
217.03195	0.7
218.84941	0.5
219.01147	2.4
221.02600	0.8
223.02324	0.8
229.04968	4.5
231.01071	19.6
232.01454	0.7
233.02560	2.4
235.00623	3.7
239.03705	1.0
245.02658	1.7
249.02185	0.9
256.06387	5.0
257.04465	4.3
258.05154	3.7
259.00565	9.3
263.03775	2.6
265.01624	1.3
267.15906	1.8
268.03558	1.2
273.02042	1.0
277.01572	2.7
282.04321	1.4
285.03864	2.8
286.04681	20.3
287.05069	1.0
291.03250	5.8
294.48831	0.5
301.01645	8.6
319.02676	25.7
320.02966	1.2
327.03259	0.9
340.26788	0.5
345.04214	9.6
362.07095	1.7
373.03729	10.4
391.04764	16.3
392.05121	0.6
408.07397	7.6
409.07767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05501	10.3
57.07067	2.7
67.05496	21.3
69.03410	4.2
69.07052	14.2
70.06596	1.6
71.04972	1.5
71.71489	2.2
72.25324	1.1
77.03937	1.8
79.05485	15.1
81.03408	2.2
81.07047	40.6
82.07381	1.7
83.04982	6.6
83.08610	7.1
91.05473	19.7
93.07027	29.9
95.04958	3.5
95.08593	49.9
95.95289	1.2
97.06507	3.2
97.10143	3.7
103.05455	1.9
105.07014	44.6
107.08579	43.1
109.06481	3.6
109.09421	2.5
109.10139	31.1
111.08051	2.7
117.06998	8.2
119.07748	2.4
119.08569	43.8
121.06477	2.5
121.10120	36.1
122.10469	1.7
123.08040	3.9
123.11687	16.7
125.09603	10.5
128.06181	2.9
129.06967	5.1
130.07782	2.6
131.08548	29.7
133.10117	34.4
135.11676	14.8
137.09575	2.9
137.13228	3.2
142.07742	2.2
142.73895	1.2
143.08556	22.9
144.09254	2.8
145.08989	2.7
145.10110	46.8
146.10603	1.4
147.11656	20.2
149.09663	1.6
149.13242	19.5
151.11142	4.0
155.08513	4.1
156.09282	2.4
157.10097	17.8
158.10884	4.6
159.11685	23.1
161.09604	3.0
161.13251	11.9
163.11102	1.4
163.14835	18.1
165.12790	1.7
169.10083	6.0
170.10788	1.9
171.11661	11.2
173.11739	2.4
173.13231	31.5
175.11250	2.7
175.13385	2.3
175.14803	21.4
177.12735	2.0
177.16374	15.7
177.35065	1.4
183.11705	6.1
184.12465	1.9
185.13214	11.9
187.14803	81.4
188.15198	3.4
189.14668	2.3
189.16339	22.8
191.14316	7.6
191.17928	4.5
195.11688	1.8
196.12248	1.4
197.13231	6.5
199.14815	19.0
200.15211	2.1
201.16377	20.3
203.14343	2.0
203.17900	9.4
205.19536	1.2
209.13263	2.0
211.14867	6.0
213.16353	40.5
214.16945	2.9
215.17912	26.0
217.15887	9.6
217.19472	5.7
223.14748	2.6
225.16338	5.9
227.17931	8.0
229.15857	2.3
229.19438	4.9
231.17462	3.9
233.19028	4.2
235.14609	1.5
237.16385	4.8
239.17950	5.4
241.19472	15.8
243.17422	3.0
243.21027	7.4
245.19084	1.8
249.16214	1.4
251.17912	1.9
253.19432	6.5
255.21088	10.3
257.18951	1.7
259.20609	2.3
264.50662	1.7
265.19543	2.9
267.21078	16.3
269.19031	2.7
269.22534	5.0
279.21106	4.2
281.22586	4.2
283.20532	6.5
283.23770	2.2
285.10077	1.6
293.22458	1.7
301.29056	1.5
305.22702	1.7
311.23740	1.9
319.24191	2.4
333.25595	1.9
337.25357	1.7
349.28824	1.7
379.33545	3.0
389.31992	23.4
390.32489	1.3
407.32977	100.0
408.33310	9.9
414.87024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2215
Annotation	(2S)-6-Geranylpinostrobin
Peak:m/z	Relative Intensity
51.32981	1.8
51.85240	1.6
53.03929	2.7
55.01866	3.7
55.05497	6.8
57.07060	5.9
63.51633	1.9
63.71608	1.9
64.10733	1.7
65.03945	3.1
67.05508	10.4
69.07076	9.7
71.71446	2.7
79.05495	10.1
81.07049	19.9
83.01315	1.8
83.04962	3.8
83.08582	2.2
85.06528	2.2
91.05478	54.2
93.07043	21.2
95.04948	9.2
95.08601	31.0
101.02344	1.8
103.05463	2.4
105.07024	18.7
107.08585	43.6
109.06497	6.4
109.10155	9.8
111.04439	2.5
115.05427	13.3
117.07011	100.0
119.04977	2.0
119.08574	13.0
121.06499	3.1
121.10137	12.4
121.10884	1.7
121.35456	1.6
123.04424	2.0
123.08067	20.7
123.11686	3.2
128.06139	1.8
129.07001	4.4
131.04924	2.2
131.08565	3.9
133.06483	3.2
133.10101	6.5
135.08054	5.8
135.11681	50.7
135.12672	3.1
137.05931	3.2
137.09616	5.5
137.13246	25.3
139.03888	22.9
141.06947	2.5
143.08580	2.9
145.10098	6.2
147.08043	6.3
147.11696	4.4
149.05908	1.8
149.09587	5.8
151.03862	2.5
155.08551	2.5
157.06505	2.6
157.10101	3.5
159.08113	2.4
159.11681	4.7
159.34366	1.8
161.09552	3.7
163.07526	3.6
163.11160	3.2
165.05516	3.5
165.06972	3.4
165.12756	4.1
167.03383	5.7
169.04936	4.7
169.10130	3.3
171.11613	2.0
173.09610	12.9
175.07521	2.3
175.11198	2.7
181.10118	2.2
183.11699	2.3
185.04546	2.8
185.09575	2.5
187.11052	2.2
187.14845	4.0
189.09076	15.9
193.04738	2.0
197.09602	2.3
199.11169	2.0
201.09113	5.2
203.07011	3.8
203.14264	5.8
207.10075	1.8
209.09668	2.9
211.14740	2.3
215.10637	1.9
217.08574	7.7
222.86328	1.8
225.09018	2.5
229.08615	2.5
229.15793	2.7
231.13766	2.3
235.09633	3.1
237.09195	3.1
239.14232	5.1
241.15794	2.6
243.10175	4.4
247.16965	2.7
249.14790	2.3
253.08562	4.0
257.15350	16.3
267.13770	5.5
271.09653	24.1
272.09897	2.1
285.14749	21.6
293.15384	3.1
303.15985	5.0
315.19653	3.7
333.22018	2.6
343.20535	2.2
347.19995	3.4
361.21783	9.8
379.22528	3.0
389.21109	10.3
407.22067	19.5
407.32947	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
65.03918	0.9
67.01848	1.3
67.05506	0.4
68.03999	0.2
68.99783	3.8
69.03407	0.4
70.06582	0.5
70.40441	0.2
71.72517	0.3
77.03909	0.3
77.67291	0.2
79.05466	0.7
81.03425	0.3
81.07033	0.8
87.80978	0.2
91.03970	0.3
91.05452	0.8
95.04955	5.9
95.08588	0.4
97.02843	0.3
102.92207	0.2
103.05437	0.7
105.03369	0.8
105.04495	0.2
105.07014	0.9
107.04942	9.6
107.08553	0.3
109.02847	0.7
111.00790	1.4
111.04433	0.8
115.05460	1.0
117.07026	0.8
119.08546	0.3
121.02858	5.6
121.03777	0.4
123.04414	4.6
128.06227	0.8
129.06969	0.7
130.19881	0.3
131.04913	2.4
133.06503	0.3
137.02339	1.7
139.05443	0.3
141.06979	1.8
145.02858	0.4
145.06482	2.4
145.10065	0.3
147.04422	1.4
149.02315	0.5
152.06145	0.5
153.01813	17.6
153.06941	0.5
155.04927	2.7
155.06053	0.4
157.06465	3.1
158.07301	0.4
159.04416	0.6
161.05995	0.7
163.03894	0.6
165.01802	2.3
168.05638	0.3
169.06483	1.9
171.02861	0.6
171.04346	0.6
171.08046	0.9
173.05948	1.8
173.08409	0.2
177.01837	0.9
177.05435	0.3
179.03415	1.2
179.04800	0.3
181.01254	0.5
181.06393	2.0
182.07161	0.2
183.02888	0.7
183.04440	1.3
184.05096	0.4
185.05931	1.6
186.06699	1.2
187.03905	1.8
189.05479	0.3
191.03398	0.8
193.01328	0.8
195.04375	0.3
197.05962	7.3
198.06410	0.3
199.07597	1.1
200.04684	0.3
201.05467	3.5
203.03334	1.3
203.08476	0.3
204.04208	0.4
207.02824	0.5
207.08031	0.3
211.03889	0.8
211.07350	0.2
213.05455	2.8
214.06120	0.3
215.03389	0.6
217.04935	1.1
219.02733	0.3
221.06001	0.7
225.05441	2.6
226.06387	0.3
227.07065	1.0
229.04930	10.2
229.07228	0.5
230.05235	0.5
231.02855	0.4
231.08047	0.7
232.03641	2.6
235.07568	0.6
239.03363	0.7
239.07057	0.9
241.04852	0.5
243.02956	0.3
244.03583	0.3
245.04456	1.0
245.63614	0.2
247.02451	0.3
249.05600	0.5
249.09299	0.3
253.04868	2.2
255.06360	0.3
257.04437	5.3
258.04785	0.3
259.07599	0.6
263.07037	0.8
267.02774	0.3
267.06641	0.6
269.04370	0.4
271.05884	0.4
273.03775	1.1
277.08548	0.7
281.04498	0.9
284.03125	0.3
285.03918	10.2
286.04300	0.5
287.07025	1.6
289.08649	0.3
295.05942	0.5
295.09305	0.3
299.05588	0.7
300.02551	1.1
300.28909	0.4
301.03403	6.9
301.29251	0.3
302.03821	0.4
303.06516	0.3
305.08057	3.1
308.06760	0.5
309.07596	0.3
313.03430	2.5
315.06512	1.0
316.07306	0.5
319.06104	0.4
323.09149	0.8
332.06812	0.7
333.07547	4.7
343.06070	1.6
344.06766	0.3
347.05380	0.4
350.07825	0.6
351.08621	4.8
352.09244	0.3
355.10553	0.3
361.02878	0.4
361.07062	5.8
362.07587	0.4
365.06326	0.3
371.05536	0.3
378.07297	0.3
379.08093	17.5
380.08624	1.2
389.06610	2.7
404.40332	0.2
406.35043	1.2
407.07571	100.0
407.35291	0.8
408.07901	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	407.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
56.96542	0.5
65.03918	0.5
67.01849	1.5
67.05492	0.7
68.99781	3.0
69.07046	0.6
70.06568	1.5
70.31594	1.2
79.05473	0.7
81.03393	0.6
81.07025	0.8
83.04987	0.6
88.07618	0.4
91.05470	0.9
93.13828	0.3
95.04958	5.7
95.08593	0.5
97.02820	0.4
103.05457	0.7
105.03402	0.7
105.06998	0.9
107.04948	8.5
109.02887	0.6
111.00785	1.1
111.04411	1.4
113.20705	0.3
115.05459	0.9
117.07020	1.0
119.04963	0.6
121.02857	5.2
123.04443	4.0
127.03901	0.5
128.06210	0.8
129.06979	1.0
131.04898	2.2
132.10278	0.5
133.06464	0.8
133.10066	0.5
137.02361	1.9
141.06982	1.6
145.02827	1.5
145.06512	1.8
146.11690	0.6
147.04384	1.1
152.06183	0.4
153.01813	18.3
153.05428	0.5
153.06985	0.5
155.04922	1.8
157.06499	2.5
159.04449	0.4
161.05978	0.5
163.03928	0.9
165.01819	2.5
168.05727	0.4
169.06519	1.8
171.02942	0.7
171.04362	0.5
171.08055	0.8
173.06007	1.3
177.01848	1.2
177.05435	2.2
177.16238	0.3
179.03345	1.7
181.01309	0.5
181.06480	2.1
183.02931	0.6
183.04453	1.3
184.05074	0.4
185.06007	1.0
186.06680	0.8
187.03932	1.5
191.03348	0.5
193.01244	0.5
197.05969	7.0
199.07544	1.1
201.05441	3.0
203.03413	1.3
207.02803	0.8
207.07971	0.5
209.05922	0.6
211.03836	1.0
213.05411	2.5
215.03468	0.6
217.04878	0.9
219.02928	0.5
219.08023	0.5
221.05949	0.5
224.07974	0.3
225.05504	1.9
226.06187	0.4
228.04218	0.5
229.04930	9.3
230.05664	0.4
231.08031	0.9
232.03613	1.6
235.07478	0.6
239.03397	0.9
239.07077	0.8
243.02922	0.4
245.04440	1.1
249.05629	0.5
253.04956	2.2
257.04465	4.7
259.07477	0.9
263.07083	0.8
267.03009	0.4
267.06610	0.6
273.03967	0.8
277.08670	0.7
281.04514	0.7
285.03940	9.8
287.07028	1.9
289.03757	0.4
295.05927	0.4
299.05554	0.7
300.02679	0.7
300.29016	1.5
301.03406	5.9
303.06528	0.5
305.07990	3.2
313.03375	1.9
315.06363	0.8
316.07269	1.1
319.06195	0.4
323.09128	0.6
331.05618	0.4
332.06799	0.5
333.07590	4.2
343.05914	1.7
344.31577	0.6
350.08057	0.5
351.08633	4.9
355.72772	0.4
361.07068	6.8
379.08102	17.4
380.08456	0.8
389.06512	2.6
406.35254	5.0
407.07578	100.0
407.35599	2.3
408.07819	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.2
56.96548	0.6
57.07066	1.0
58.06574	0.6
65.03941	0.7
67.01837	0.7
67.05492	1.5
68.99788	3.3
69.03403	0.6
69.07075	0.9
70.06590	5.6
71.73023	0.9
72.08133	0.8
76.62656	0.5
79.05472	1.2
81.03419	1.4
81.07040	1.6
83.08567	0.6
84.08121	1.4
85.02885	0.6
86.09679	1.2
87.02013	0.5
88.07612	1.6
91.05487	0.8
93.07039	1.3
95.04960	5.4
95.08587	1.1
97.02890	0.6
102.09142	1.3
102.28259	0.5
103.05477	0.5
105.07014	1.5
107.04943	7.1
107.08585	0.7
109.02898	0.6
111.00806	1.0
114.09150	0.5
115.05474	1.2
117.07006	0.8
117.34564	0.5
119.08593	0.7
121.02838	6.2
121.06492	0.6
121.10104	0.5
123.04413	4.4
123.11668	0.5
128.06245	0.7
129.07028	0.6
131.04916	2.0
132.10197	1.2
137.02287	1.0
141.07001	1.3
141.54118	0.6
145.06496	2.4
145.10095	0.7
146.11784	1.6
147.04376	1.3
150.79607	0.7
153.01808	16.7
153.06972	1.2
155.04919	2.0
157.06477	2.4
159.04422	0.7
161.06070	0.7
165.01801	1.9
169.06482	2.4
171.02919	0.7
171.08086	0.7
173.05949	2.0
177.01834	0.9
179.03384	1.3
181.06491	1.7
183.04382	1.3
186.06718	1.2
187.03949	1.6
193.01312	1.0
197.05946	7.1
199.07608	0.8
201.05470	3.3
203.03503	1.4
211.03868	1.2
213.05437	1.9
214.28539	0.5
217.05006	1.2
225.05466	2.3
229.04955	8.8
231.08026	0.8
232.03679	2.2
239.03387	0.8
239.07057	0.7
253.05038	2.5
256.26324	3.5
257.04425	4.8
257.26639	0.8
269.10471	0.7
273.03891	0.9
277.08719	0.8
285.03891	8.1
285.10086	1.6
287.07062	1.5
288.07867	0.6
300.02783	1.0
300.28973	5.7
301.03421	6.1
301.29196	2.1
303.06702	0.5
305.08148	2.5
313.03418	2.4
316.07336	0.7
323.09644	0.6
332.06683	0.6
333.07718	4.4
334.07928	0.6
343.06308	1.2
344.31546	2.1
345.31888	1.0
351.08456	4.7
361.03870	3.7
361.07828	4.5
379.08279	17.1
380.08588	1.3
384.05365	2.5
389.06525	2.3
406.35254	16.4
407.07578	100.0
407.35651	10.2
408.07883	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	407.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48297	1.7
54.79796	1.5
56.96543	5.8
60.55018	1.7
71.72005	3.0
78.44561	1.9
85.02866	4.0
93.03418	1.9
97.02862	2.3
98.97551	3.0
105.00336	2.3
109.01363	3.3
110.86240	1.7
115.02411	2.0
116.07159	1.8
116.98574	3.0
119.01907	11.9
121.02852	3.7
127.02389	8.2
127.03875	2.1
128.98595	3.4
129.03958	5.1
131.01868	3.2
133.03450	3.5
134.99641	1.9
137.02901	2.9
143.00130	2.4
143.01923	2.6
145.03453	90.6
146.03600	3.7
147.05020	4.2
155.01852	3.5
157.03465	3.2
158.99619	2.2
159.05023	3.8
161.01161	5.1
161.02927	3.0
163.04506	14.4
168.05034	3.1
169.03461	52.8
171.01363	3.7
171.05003	16.2
173.01288	2.0
173.02928	6.7
175.04370	2.2
177.00691	3.7
180.03629	2.2
181.04903	2.2
185.02924	4.4
185.04338	2.1
185.06624	2.6
187.04504	57.4
188.04605	1.9
189.02542	2.6
195.04996	27.3
195.06624	2.6
197.02971	19.5
197.06639	8.6
199.08228	2.4
201.00659	3.7
201.06116	2.0
205.05444	2.4
209.06532	3.5
210.06073	3.4
211.04504	8.2
213.06032	21.3
215.03984	25.0
219.01764	2.6
221.02887	2.2
221.06606	3.6
223.04504	18.3
232.24057	2.3
233.05019	2.9
236.07990	2.7
237.02602	4.1
237.06129	7.3
239.04144	10.8
239.07674	3.2
241.05515	11.8
245.06302	6.1
247.04442	7.1
251.06152	7.1
253.05521	5.9
255.07121	8.9
257.04755	4.4
263.00696	5.3
265.05447	6.5
269.07471	3.7
273.08231	4.9
275.05975	10.4
281.05026	2.1
283.06516	9.6
301.07672	100.0
302.07858	8.3
303.05576	29.5
311.06302	2.4
317.07043	3.0
319.08765	4.9
319.12405	2.7
321.06613	6.0
327.05569	5.5
329.06985	19.3
342.10364	3.4
344.08221	2.8
345.06616	11.7
346.80746	2.1
347.08292	14.2
363.07697	7.2
370.10123	2.3
371.04456	3.1
371.08682	2.2
389.05862	4.9
389.09430	48.5
390.09598	3.2
407.06454	7.5
407.11230	24.3
425.11316	8.5
430.11813	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	407.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	5.7
58.99853	1.1
67.05492	1.4
69.03410	2.4
69.39930	10.2
69.40332	2.7
71.04965	1.2
81.03410	1.2
84.96021	1.4
85.02909	3.5
95.04940	1.9
97.02872	3.7
98.97580	4.4
105.00398	2.3
109.01445	3.9
111.04451	2.1
116.98604	2.9
117.03950	1.6
119.01913	12.5
121.02858	4.9
127.02384	11.5
127.03889	2.1
128.98622	2.8
129.03954	4.4
130.06461	2.0
131.01871	3.4
133.03479	3.8
134.99579	1.9
135.05096	1.4
137.02982	3.8
139.03902	2.4
141.03992	1.5
143.00153	3.5
143.01868	2.3
145.03453	97.4
146.03575	3.2
146.99608	3.1
147.04987	1.9
155.01860	2.6
157.03470	3.4
158.99649	2.5
159.05016	4.2
161.01236	4.2
161.02957	4.9
163.04538	14.0
168.05098	3.7
169.03455	54.7
170.03619	3.6
170.99736	1.4
171.01382	3.7
171.05009	20.3
173.01324	2.0
173.02968	6.6
173.52098	1.3
175.04372	1.4
179.01967	2.1
180.03755	2.5
183.05029	3.7
185.02927	4.5
185.06601	3.6
187.04504	62.3
188.04680	2.2
189.00696	3.5
189.02415	3.8
191.03806	2.2
195.05006	30.7
196.05264	2.1
197.02948	20.9
197.06566	8.1
198.03206	1.5
201.00710	5.2
201.06000	1.9
203.05379	2.5
205.05550	2.2
209.06590	2.9
210.06123	5.6
211.04453	8.8
211.08055	1.9
213.02530	1.6
213.06068	21.1
214.06424	1.7
215.03979	29.6
216.04008	2.0
219.01759	3.6
219.05132	3.1
221.02899	2.0
221.06587	5.0
223.04520	23.2
224.04549	1.4
225.06181	1.9
229.05539	2.3
233.05069	3.2
235.04488	1.7
236.07558	2.0
237.02727	4.2
237.06009	9.6
238.05586	2.3
239.04034	9.9
241.05562	9.9
244.99771	1.5
245.06549	6.3
247.04514	5.1
249.02763	2.4
251.04095	2.3
251.06223	4.8
253.05482	4.6
255.07256	8.5
257.04947	4.7
259.06613	1.5
263.00824	2.8
263.04166	1.6
265.05542	6.8
267.03912	2.8
267.07233	1.9
269.07141	4.3
273.08231	4.3
275.06085	10.4
281.05194	2.9
283.06570	12.2
291.09021	1.8
299.06189	1.8
300.09326	1.3
301.07654	100.0
302.07822	6.7
303.05573	30.6
303.09094	1.4
304.05722	2.8
305.01846	1.3
317.07346	2.2
319.08817	6.3
319.12292	1.7
321.06586	5.0
327.05579	7.0
329.07141	21.1
330.07343	1.9
341.06961	1.9
342.10339	4.3
344.08389	3.4
345.06644	13.6
347.04462	2.2
347.08167	13.9
348.08386	2.0
363.07565	6.4
365.09546	1.5
370.10181	1.9
371.04507	5.0
389.09460	45.3
390.09689	2.2
407.06387	7.5
407.11401	24.6
408.11111	1.6
411.41727	1.5
425.11307	6.5
430.11871	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	406.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.2
55.05501	1.3
56.05024	4.7
57.03426	4.3
58.99577	8.3
64.23116	0.7
68.04987	0.7
69.07038	0.8
69.42011	6.5
69.42427	1.0
70.06602	0.6
73.01124	1.4
74.00641	1.4
76.01804	0.9
76.02221	15.2
76.04000	0.8
79.05482	3.3
81.07047	13.2
83.06071	1.5
83.47864	0.6
84.04010	1.1
84.04494	17.2
84.08105	0.8
85.01147	3.3
86.00671	3.4
86.01064	0.6
86.40131	0.7
86.99033	4.0
87.02685	4.4
87.67595	0.7
88.02203	1.5
89.14291	0.6
94.52505	0.6
95.08588	3.3
96.08103	0.7
97.01094	0.9
97.06528	1.7
98.09681	9.3
99.08102	4.8
102.05512	4.0
105.07003	1.1
110.09641	1.2
112.03971	3.2
113.04204	5.3
115.05813	1.2
116.01672	16.7
122.09624	1.2
123.08067	0.8
129.06566	1.5
130.04991	8.2
130.06845	2.7
130.08652	1.3
139.05785	1.6
142.03177	1.1
143.02737	0.7
144.01132	7.0
156.08398	16.6
156.10165	10.2
157.06789	7.8
162.02168	18.9
174.09451	13.5
179.04834	10.0
188.03793	1.3
189.03349	1.3
210.11238	2.3
215.04810	0.9
215.36681	0.7
216.06848	5.9
233.05893	2.7
242.08336	1.0
245.05849	1.0
259.11084	100.0
260.09164	1.1
260.11432	2.2
277.11899	0.9
284.41757	0.7
285.12671	2.2
313.12051	4.5
331.13251	6.6
394.45300	0.7
406.16263	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	406.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
57.03430	0.3
58.99572	0.6
67.05515	0.5
71.71507	0.6
76.02218	1.1
76.06216	0.3
79.05475	1.3
81.03409	0.3
81.07037	0.8
83.01333	1.4
84.04500	0.8
85.02881	0.4
86.00642	0.4
86.99036	0.5
91.05451	0.7
95.04967	0.4
97.02880	1.1
97.06512	1.0
98.09695	0.4
103.05466	2.5
105.07009	0.7
106.06541	0.8
107.04936	1.0
107.09201	0.3
116.01671	0.6
120.01205	0.3
125.05993	1.1
130.04964	0.6
131.04924	9.1
135.04411	0.3
139.03937	0.7
148.00639	0.3
153.05518	0.6
156.08411	0.9
156.10143	0.3
157.06683	0.4
161.06017	0.4
162.02202	0.9
167.06975	0.3
174.09467	0.4
179.07085	0.4
181.04942	100.0
182.05292	1.8
199.06148	1.6
203.07033	0.5
210.05876	1.2
210.11206	0.3
221.80359	0.3
243.10095	1.6
256.06805	0.4
259.11127	4.5
285.11197	31.9
286.11554	0.6
327.12170	0.4
343.69672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66848	0.9
53.03938	1.6
53.20824	0.7
55.01857	2.1
65.03939	7.4
65.84142	0.8
67.05493	4.1
69.03419	1.7
71.06369	2.2
76.02200	1.1
76.66113	1.0
77.03954	0.9
79.05477	7.0
79.24926	0.9
81.03402	3.5
81.07047	2.9
82.04192	1.5
85.02920	4.6
91.05476	2.9
93.03410	2.0
93.07023	1.2
94.04153	1.4
95.04956	4.7
97.02905	1.4
97.06507	1.7
98.05788	0.9
100.43316	1.0
103.05473	1.6
105.07018	2.6
107.04944	16.1
108.02116	2.0
109.06504	2.0
110.03642	3.3
111.04430	2.8
115.05431	3.9
117.07018	3.1
122.03615	4.4
123.04418	2.8
124.05202	2.1
125.05962	4.0
127.03915	1.4
128.06238	3.6
129.07013	7.8
131.04895	3.2
131.08490	1.4
133.06477	1.2
135.04424	2.1
137.05966	32.2
138.03123	1.9
142.02612	2.5
142.27635	1.0
143.04950	4.5
144.05687	1.4
145.06482	6.1
147.04439	1.9
147.07982	1.5
149.06021	1.6
149.07425	2.2
151.03894	18.1
153.05466	2.2
157.06490	10.6
159.04463	1.1
159.08089	1.9
160.05153	2.9
161.05972	4.2
163.03912	2.1
166.02745	1.0
167.07024	35.2
171.04347	6.4
171.06548	6.4
172.05194	8.1
173.05978	4.1
174.06708	2.2
175.07524	5.9
175.75496	1.0
176.04631	1.5
181.04944	100.0
182.05315	2.5
187.07552	4.6
188.04657	1.1
189.05458	4.0
189.09093	9.6
189.10693	1.3
191.07007	4.5
195.06615	1.8
200.04671	4.2
201.05411	1.4
203.07018	15.6
204.07350	1.0
205.08560	4.9
206.05611	1.7
207.10092	1.2
217.04897	1.0
217.08571	1.0
218.05612	4.6
219.06293	1.2
219.10107	1.3
221.08099	6.8
231.08194	1.2
233.08070	53.4
234.08463	2.5
235.09654	2.0
245.08087	1.9
247.07462	1.5
249.09088	2.7
251.09192	3.6
257.08051	1.4
259.11084	3.5
262.06393	1.0
263.09180	9.2
276.07758	1.0
277.08640	3.7
279.06577	1.2
279.10367	1.0
293.08032	3.3
297.11230	1.5
301.06989	2.2
305.08127	1.6
307.09445	1.8
309.11072	2.5
316.09351	1.2
325.10638	2.8
327.12259	1.9
337.10678	4.7
339.12311	1.5
341.13965	2.8
342.10971	2.8
351.12213	4.1
354.10965	1.6
357.13290	12.1
358.13611	1.7
369.13263	6.9
387.14377	30.2
388.14615	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	405.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01859	1.7
65.03938	8.4
67.05491	4.1
69.03416	1.9
71.10034	1.2
71.10374	2.3
76.02212	1.2
79.05476	7.6
81.03391	5.9
81.07043	2.7
82.04182	3.4
84.04490	1.3
85.02901	6.3
86.98999	1.2
91.05471	3.7
93.03397	2.0
94.04146	1.3
95.04942	4.6
97.02903	1.8
97.06516	2.9
103.05450	2.4
105.07045	2.0
107.04939	14.4
109.06466	2.0
110.03611	3.2
111.04446	2.5
115.05476	5.7
117.06966	2.7
121.06440	1.1
122.03613	3.3
123.04379	3.1
124.05210	2.1
125.05947	4.1
127.03921	2.0
128.06189	2.9
129.06985	8.2
131.04884	3.1
133.06483	2.1
135.04399	1.6
137.05954	36.7
138.03075	2.6
139.03889	2.3
141.05388	1.4
142.02567	3.6
143.04901	4.6
144.05678	3.2
145.06439	6.6
147.04399	3.2
147.08040	2.1
149.05951	1.5
151.03900	18.2
151.05049	2.1
152.04723	1.1
153.05464	2.7
155.05971	1.6
157.06465	9.4
160.05168	2.3
161.05951	6.7
161.09598	1.3
162.02110	1.3
165.05447	4.4
167.07028	38.4
171.04399	4.3
171.06532	6.2
172.05128	7.5
173.05974	3.6
174.06743	3.0
175.07521	5.5
181.04936	100.0
182.05354	1.6
187.07547	7.0
189.05472	3.6
189.09119	10.3
190.06165	1.5
191.06990	4.6
191.10751	1.4
193.04993	1.4
195.06477	3.1
200.04700	4.0
201.05453	2.3
203.06973	13.8
205.08583	4.9
206.05676	2.7
210.69067	1.1
211.29828	1.1
215.06825	2.0
218.05638	7.7
219.06334	1.4
219.10146	1.5
221.07990	9.2
227.82838	1.4
233.08066	56.5
234.06595	2.3
234.08844	1.4
235.09590	2.1
237.09148	1.6
245.07988	2.7
247.07541	2.2
248.08319	2.0
249.08939	2.7
251.09067	3.0
259.11090	6.7
262.06223	1.6
263.09116	10.6
265.08615	2.0
276.07721	1.3
277.08536	3.7
285.07791	1.2
291.09756	1.4
293.07993	1.8
297.11185	1.5
301.06989	2.3
309.11215	3.1
316.09320	1.8
325.10703	3.6
337.10635	5.5
341.13763	2.9
342.10840	2.5
345.10757	1.7
351.12170	3.2
354.10913	1.5
357.13318	13.1
369.13464	5.4
373.10342	1.4
387.14392	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	405.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37415	1.1
53.03929	2.2
55.01880	1.9
65.03947	7.8
67.05489	4.9
69.03416	3.1
71.71304	1.3
76.02235	1.3
79.05471	6.4
81.03406	4.2
81.07033	3.6
82.04186	2.9
85.02910	6.9
91.05477	6.3
92.64683	1.1
93.03399	1.3
93.07077	1.5
95.04955	4.7
97.02885	1.6
97.06548	2.0
103.05458	1.5
105.06992	2.2
107.04953	16.2
108.02127	1.6
109.06513	3.7
110.03645	4.6
111.04431	3.4
115.05450	4.1
116.06255	1.3
117.07010	5.3
121.06486	2.8
122.03619	2.9
123.04436	2.1
124.05175	2.5
125.05972	4.6
127.03927	1.7
128.06239	3.0
129.07011	7.3
131.04913	3.1
131.08553	1.7
133.06520	2.4
137.05965	39.2
138.03108	2.8
142.02606	2.4
143.04889	5.7
145.06487	6.1
146.03587	1.4
147.04355	3.0
147.08057	2.5
149.05963	8.0
151.03905	31.7
151.05016	3.2
152.04637	1.8
153.05457	2.1
155.04918	1.3
157.06493	8.5
159.08087	2.0
160.05193	3.4
161.06001	5.8
165.05487	1.8
166.02589	1.8
167.07031	40.3
169.04939	2.2
171.04375	4.9
171.06551	6.3
172.05167	7.6
173.05984	2.5
174.06749	2.7
174.09259	1.2
175.07516	6.5
176.04703	1.6
177.05423	1.6
177.09103	1.2
179.07028	1.5
181.04944	100.0
182.05255	2.4
183.11815	1.1
187.07538	4.9
189.05473	3.2
189.09062	6.4
189.12721	1.7
191.07028	5.1
193.04942	1.3
195.06523	2.6
200.04701	3.6
201.05408	2.0
203.07011	15.9
205.08577	3.7
206.05597	2.3
207.10262	1.4
209.08116	2.4
215.06961	1.5
218.05736	4.5
219.06334	1.5
219.10030	2.7
221.08005	8.2
233.08081	46.7
235.09529	1.5
245.08084	1.8
247.07573	1.9
249.09018	2.4
251.09177	3.3
259.11044	2.6
263.08990	7.6
265.08591	2.1
273.11411	1.2
276.66174	1.1
277.08551	2.7
293.08044	2.5
295.09726	1.4
297.11249	1.6
301.06839	2.0
305.75320	1.2
309.11008	2.9
313.10410	1.5
314.11353	1.3
322.08340	1.6
325.10504	3.4
337.10611	6.0
341.13760	2.4
342.10995	1.8
343.12051	1.4
351.12143	4.2
357.13257	10.3
369.13339	5.7
387.14355	26.0
388.14844	2.8
405.25790	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1541
Annotation	Nitidanin
Peak:m/z	Relative Intensity
51.20071	0.7
53.00297	0.8
55.01862	4.1
55.05508	1.5
57.03429	0.9
65.03928	2.0
67.05515	2.1
68.99779	1.0
69.03413	0.9
69.84336	6.3
74.55167	0.8
79.05492	2.3
81.03393	1.3
81.07058	2.1
84.04507	1.2
85.02873	1.5
91.05464	4.4
93.07018	1.0
95.04951	3.7
95.08607	1.2
97.06522	2.2
98.20758	1.3
105.03386	1.3
105.07055	1.2
107.04958	4.7
109.02879	2.5
110.51479	0.9
115.05460	1.0
116.01624	1.1
117.03346	1.0
119.04944	4.4
121.02894	1.0
121.06499	1.0
123.04419	4.4
123.08068	1.0
127.03953	2.2
128.06125	1.0
129.07025	1.5
131.04962	2.3
133.02835	1.8
133.06490	1.6
135.04414	7.5
137.05984	5.1
139.03889	100.0
140.04190	1.7
145.02802	1.2
145.06522	1.0
147.04358	3.2
149.05949	2.1
151.02672	2.2
151.03899	40.5
151.07518	2.6
153.05463	2.3
155.07030	1.3
157.06438	1.0
159.04401	4.7
161.05984	3.6
163.03894	28.2
165.05452	3.3
167.07007	5.4
169.04900	2.7
171.00674	1.0
175.03920	1.3
175.07584	2.0
176.04657	3.6
177.05466	14.3
179.03398	1.9
179.07048	2.1
180.07773	0.9
181.04944	25.8
181.08607	3.6
182.05237	1.4
187.07501	1.8
189.05460	21.5
189.07172	1.4
189.09042	1.5
190.06087	1.0
191.07062	1.2
193.04994	2.1
193.08595	36.5
195.04991	1.4
195.06517	6.8
203.07025	1.9
205.04985	2.4
205.08572	4.5
207.06483	5.0
208.07227	1.3
219.06593	1.2
219.10133	15.4
221.08038	1.9
223.06032	2.7
225.07672	1.4
226.08447	1.9
229.08589	2.7
231.10123	4.0
233.08095	6.7
237.11188	6.3
247.06012	1.4
259.11136	3.2
289.06638	1.1
294.09149	1.0
295.81595	1.0
301.07089	2.7
307.08270	1.4
319.08099	2.2
327.08560	1.6
337.10626	1.2
343.11749	3.9
345.09479	4.9
357.12949	2.0
361.12796	9.9
369.13364	5.6
387.14404	10.3
405.15341	4.2
422.74081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89201	0.8
55.01866	3.7
65.03934	1.4
67.05473	1.0
71.70084	1.3
79.05519	1.1
81.03436	0.9
85.02923	2.4
86.09675	1.5
95.04926	0.9
96.01530	0.9
97.06483	1.0
107.04951	3.3
108.08101	1.6
119.04925	0.9
119.08490	1.0
123.04391	1.0
129.80370	0.9
133.06509	1.0
137.05959	15.5
139.03891	4.6
147.04379	1.4
151.03882	4.1
153.01900	0.8
161.05949	1.2
163.03839	1.0
163.07407	1.0
165.01811	4.2
166.05124	1.0
167.07007	5.4
169.07629	0.9
170.05913	1.0
170.09657	1.1
177.05472	1.1
179.03281	0.9
181.04922	8.1
183.02896	4.4
183.09160	2.6
184.07564	2.3
189.10271	2.2
191.31082	1.0
193.08653	1.1
195.02887	6.8
197.07083	11.4
197.10768	1.5
198.07719	1.2
198.09303	2.1
199.08667	3.1
201.99702	1.0
203.07048	1.5
207.09267	1.1
209.10649	1.1
209.34091	0.9
210.07803	1.3
211.08652	16.6
212.09326	1.3
213.10167	2.7
225.06580	20.2
225.10101	11.3
226.07164	2.3
227.08115	2.8
227.11858	1.9
228.10236	1.6
229.09717	1.6
233.08066	5.2
239.04456	2.4
239.08138	31.0
240.08818	3.2
241.09613	1.9
243.07658	4.7
245.12862	26.4
246.12985	1.4
249.03923	3.7
253.06233	1.8
253.09709	20.8
254.10330	1.4
255.07822	2.4
255.11206	4.2
257.05658	6.0
257.09189	10.9
259.07074	1.0
259.10849	1.7
263.08453	1.4
267.04910	0.7
267.07632	17.0
268.08374	2.0
271.07825	1.4
271.10699	11.8
273.08578	2.5
273.12000	1.4
281.06055	1.9
281.09189	18.4
283.10672	2.9
285.05701	1.6
285.08896	7.4
286.09290	1.4
286.93170	1.0
289.11795	5.8
293.09189	2.7
295.07007	2.3
297.08722	2.1
299.06836	2.6
299.10220	35.6
301.11725	2.5
309.08652	24.5
311.10254	6.1
313.08234	1.4
317.07861	1.4
317.11365	3.4
327.09738	57.5
329.11310	8.4
337.08075	2.7
345.10794	92.4
346.11011	2.1
355.09235	8.3
369.09897	1.3
373.10287	100.0
374.10562	1.9
387.11505	3.7
387.15024	1.4
405.06671	1.3
405.12787	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	404.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
55.05471	1.6
56.05038	1.8
56.96545	2.1
58.99581	18.4
67.05495	1.7
69.07051	5.0
70.61745	5.4
76.02223	100.0
76.03982	2.0
79.05489	8.9
80.05020	2.3
82.23613	1.5
84.04016	2.8
84.04494	33.0
86.99046	6.2
88.02209	1.5
90.52917	1.4
97.06528	91.7
114.03762	1.6
116.01666	26.0
120.31786	1.5
130.04994	20.2
142.03218	13.4
144.01140	11.5
162.02191	38.6
170.02660	3.3
170.74812	1.4
172.08070	1.6
179.04842	74.1
209.72356	1.7
210.11209	1.5
215.04868	2.7
233.05894	21.7
245.05922	4.0
291.06213	3.2
308.09100	25.9
346.23648	1.6
356.63312	1.6
404.15350	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	404.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	2.0
59.06294	0.4
61.42641	0.4
68.76907	0.3
69.07059	2.1
70.77479	0.4
70.95464	1.1
84.04498	41.2
85.02892	0.8
86.06059	3.8
86.09697	100.0
87.08114	0.4
87.10042	0.9
94.06558	0.8
95.66390	0.4
96.04494	1.5
97.06483	0.5
101.05988	0.7
102.05535	4.4
108.91229	0.5
108.91997	0.4
121.07619	0.6
121.92566	0.4
122.06018	2.2
124.11264	0.7
128.00661	0.4
128.07037	2.4
130.05000	11.6
140.07022	0.7
142.05019	3.0
146.11746	70.0
147.12050	0.9
149.07066	1.2
152.10692	3.2
154.12222	0.5
156.06583	2.1
160.19986	0.4
167.08310	0.5
168.06534	3.4
169.08559	1.9
184.13310	7.7
195.07616	3.2
196.06032	0.7
197.12921	0.5
198.11241	5.2
212.12811	10.1
213.08632	0.9
241.08195	4.3
242.06601	2.1
243.13344	4.2
250.00195	0.4
257.14905	0.6
258.13336	9.5
259.09253	1.1
275.16000	31.4
276.16400	0.8
281.14841	0.8
309.14325	0.6
341.16879	1.3
404.20413	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
56.96548	0.9
58.99560	2.2
62.83805	0.7
69.03418	0.9
71.31924	1.0
71.32255	1.0
76.02219	3.5
81.03400	1.3
85.02924	0.9
86.00645	1.4
87.52514	0.7
91.05475	15.7
95.04992	0.9
100.11227	2.3
103.05459	4.5
105.03387	7.6
105.07007	2.9
107.04942	0.8
115.05444	2.2
122.02694	3.4
131.04889	4.7
132.01129	1.8
133.02806	0.9
137.05971	1.0
139.03896	1.8
147.04422	2.5
159.04411	7.6
161.05968	4.5
163.01971	0.9
163.03912	1.0
165.07021	0.8
166.07727	2.2
167.08488	1.0
175.03874	1.5
178.07834	0.7
179.08554	2.5
181.04912	1.2
181.06493	1.0
181.10149	2.7
186.03033	1.0
187.03900	9.6
189.05452	15.1
190.04973	2.1
190.07838	1.1
191.01677	6.2
191.08540	4.7
192.99527	2.1
205.04921	1.8
207.07970	1.5
208.08870	1.1
209.09610	5.9
210.15018	1.1
218.07332	0.9
219.01067	8.0
219.08037	1.5
223.05750	0.9
225.09135	0.9
235.07532	2.5
236.08322	2.6
237.09085	5.9
239.10648	1.8
241.08838	1.0
245.02721	1.8
246.06819	3.6
247.07532	1.4
250.06308	0.9
253.08600	8.1
263.06970	1.4
264.07779	10.7
265.08569	22.7
267.10193	11.6
269.06201	1.8
281.10510	1.2
283.09567	1.7
291.80328	0.8
297.05768	12.0
299.07541	1.9
307.08508	0.8
315.06876	1.7
323.07526	1.0
334.10751	1.6
340.10019	2.4
342.11710	1.1
345.10886	1.5
358.03830	1.4
386.10532	100.0
387.10797	4.8
404.04340	2.1
404.11832	2.2
411.98993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.1
69.03401	1.3
69.07077	1.2
70.06580	1.6
70.33636	3.3
72.08152	1.4
76.02197	1.9
78.28207	0.8
84.04485	4.3
86.00622	0.9
86.09697	2.6
92.99097	0.8
93.07033	1.0
97.06522	1.5
98.21433	1.1
102.25751	0.9
106.11966	0.9
116.01700	1.7
123.04391	1.2
124.85349	0.9
129.01837	1.4
134.18297	0.9
139.03894	2.5
154.06857	3.7
172.07899	1.6
176.92772	1.1
179.04839	1.2
197.10181	1.0
215.11345	1.2
223.08040	3.2
223.09769	1.3
231.08002	2.4
240.46457	1.0
241.09203	7.8
241.10625	5.5
257.09549	7.3
259.10245	10.8
264.10846	1.1
283.10287	2.5
301.11514	1.1
403.15643	100.0
404.15866	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	403.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01865	5.1
57.03415	3.0
59.46789	1.5
61.02916	2.2
65.03944	2.0
69.03398	1.6
70.98028	3.5
81.03403	2.6
83.01349	3.3
83.04993	1.4
85.02900	13.9
91.05472	95.7
95.04956	2.6
97.02887	4.4
97.06519	1.8
103.03944	1.6
103.05462	27.2
105.03387	9.5
105.07027	4.9
106.35136	1.4
107.04955	1.8
109.02864	3.8
115.05452	5.8
117.07000	1.8
121.02849	1.9
121.06493	3.2
128.06204	3.3
128.31726	1.3
129.06996	3.7
130.95537	1.4
131.04907	31.3
133.02863	1.9
133.06482	1.9
135.04411	9.2
137.05957	1.7
137.39226	1.4
139.03896	3.8
141.06982	5.9
141.52522	1.5
143.08549	2.0
145.06480	6.9
147.04416	17.6
147.05487	2.4
148.05251	1.6
149.05954	6.7
151.03923	2.2
153.06943	2.2
157.06471	2.7
159.04422	25.4
159.08090	1.8
161.06017	8.4
163.03908	24.5
165.05612	2.5
165.07001	6.8
166.07759	9.4
167.07149	2.7
167.08539	4.0
171.08066	2.8
173.05957	14.5
175.03886	21.2
175.07579	2.3
177.05473	15.8
178.07755	6.2
179.08553	9.8
181.04990	2.3
181.06487	2.5
181.10094	5.7
185.06013	3.3
187.03876	20.1
187.07481	3.7
189.05495	4.1
190.07835	3.6
191.08543	10.7
194.07303	3.8
195.08095	2.9
197.05959	8.7
197.09669	2.5
197.42329	1.6
199.07462	2.6
201.05460	23.6
202.07858	3.2
205.04955	52.0
205.10162	2.7
207.07948	8.5
208.08766	2.1
209.09578	9.4
211.07465	4.3
212.04807	1.6
213.05408	6.0
215.07019	3.8
217.04982	2.4
218.07246	1.8
219.08060	6.2
223.07530	2.9
223.11122	2.0
225.05521	5.7
225.09010	10.5
229.05020	11.2
235.07544	11.8
237.09004	10.3
241.04903	3.4
241.08588	28.6
243.06490	2.6
247.07579	6.2
249.08978	3.0
251.07045	2.4
251.10638	4.6
253.08575	100.0
254.08844	2.3
255.10086	3.6
261.09079	4.7
264.07700	2.0
265.08560	15.9
267.10175	3.2
271.06064	2.3
271.09668	1.8
275.10510	2.0
277.08609	4.5
279.10132	15.8
283.09625	88.4
284.09937	2.0
291.10159	3.1
293.11765	5.1
303.10226	5.1
307.09647	56.2
319.09811	7.5
321.11188	2.4
331.09665	21.8
337.10699	56.7
338.10904	2.3
349.10641	23.8
367.11801	21.0
372.38074	1.8
385.12726	10.8
403.13864	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
61.01146	1.1
66.98293	0.2
68.99786	2.4
70.51163	0.6
72.04500	1.3
78.03783	3.0
86.06059	2.0
91.05470	0.2
102.03763	4.6
103.02187	0.3
105.03416	0.2
107.04960	1.7
114.03744	0.2
115.05433	0.2
115.08693	1.2
118.14526	0.2
120.04780	0.4
128.06192	0.9
129.07022	1.5
131.04897	0.3
131.05313	0.2
131.06375	2.8
131.08563	0.4
132.04781	2.2
133.02831	0.8
133.03842	0.1
137.02324	0.4
141.06935	0.7
143.08560	0.8
144.05653	0.2
145.06477	0.3
149.07426	20.5
150.07742	0.3
151.03932	0.2
152.06212	1.0
153.05721	0.2
153.06975	4.2
157.06477	6.1
159.08055	0.6
165.07024	0.8
167.07063	0.4
169.06453	0.8
171.04439	0.2
171.08038	2.0
178.03387	0.2
178.04974	5.9
181.06462	12.3
182.07066	0.5
184.05206	0.6
185.05940	3.2
187.07526	1.8
188.07832	0.2
193.06566	0.2
197.05933	0.4
198.06744	0.5
199.07513	7.3
209.05966	4.0
210.06711	0.9
211.07495	0.2
213.05455	6.8
226.06241	0.5
227.07008	15.0
228.07309	0.5
232.06026	0.3
237.05455	2.1
238.06064	0.2
255.06496	100.0
256.06851	3.4
272.09106	0.7
284.09180	6.5
285.09515	0.2
309.99469	0.2
326.10184	5.6
403.13245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
60.04510	10.4
61.02932	4.3
69.03423	9.1
70.06588	61.8
70.11389	3.4
71.69524	6.1
73.02880	3.7
75.05620	5.3
76.04002	100.0
85.02898	17.9
85.67052	3.6
87.58198	3.8
91.05472	4.7
97.02908	6.9
99.04399	4.7
103.05447	3.6
107.04970	18.6
119.04952	6.5
121.06555	3.9
123.04419	14.3
130.06537	4.7
131.04944	6.9
133.06499	6.4
135.04446	11.1
139.03874	18.2
145.06535	4.1
147.04391	18.5
149.05989	4.7
151.03908	6.4
161.06012	10.2
162.05513	10.8
163.03917	12.9
165.05463	4.9
165.07845	12.5
167.16891	3.9
177.05463	38.4
178.08588	7.0
181.04947	7.3
186.05565	7.6
187.05865	4.7
194.77005	4.2
204.06641	5.2
205.05005	8.9
222.07610	17.1
240.08646	15.5
256.06390	11.4
345.09589	7.5
402.15298	30.6
406.62140	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
70.06577	4.1
71.05421	5.2
72.08145	3.4
78.04687	2.5
79.05484	15.4
81.07056	3.2
85.02913	2.2
86.09707	3.5
91.05473	7.9
94.95969	1.8
95.04994	2.8
107.04948	30.7
115.05412	3.4
115.47476	2.4
117.07043	2.5
123.04420	4.0
124.05207	5.9
125.05968	3.6
129.07037	6.8
131.08571	8.6
133.06482	3.0
139.03896	6.6
141.06961	2.4
144.05692	4.9
145.06500	4.8
152.04698	3.0
156.05724	13.2
157.06497	4.2
158.07318	2.1
159.08031	14.8
159.09142	2.4
161.05989	2.4
163.03845	3.8
167.07030	100.0
169.06433	3.4
173.06010	4.9
177.05455	2.4
179.07120	2.5
181.04982	5.4
181.25969	2.0
184.05185	2.6
186.06700	3.3
187.07541	9.3
190.06219	2.2
190.07726	2.5
191.07028	4.1
191.08594	3.3
193.06537	2.2
193.08530	2.5
195.06514	3.5
201.09155	2.2
202.06192	5.7
205.06645	4.0
205.08589	13.8
207.06479	4.6
208.05177	21.4
210.06787	2.3
215.29514	2.1
217.08577	33.0
218.07263	6.0
219.08032	14.0
219.10078	4.3
220.08795	6.5
221.06068	9.2
229.08574	5.5
230.82910	2.0
231.07967	6.7
231.10030	2.8
233.06039	2.4
233.09599	3.7
234.06786	2.8
235.07567	4.4
236.04677	7.0
236.08330	3.8
238.06281	3.6
239.06955	3.6
240.04245	3.0
245.09422	2.8
247.07506	14.1
247.09718	19.7
248.08322	8.6
249.05576	2.2
249.09103	5.0
251.10609	2.5
253.08437	2.6
254.05711	8.8
255.06375	2.4
259.07471	3.9
261.09085	5.8
262.06311	1.9
262.10056	3.4
263.06854	3.7
263.10666	9.5
264.07733	4.8
265.08630	7.2
266.05710	2.5
267.06509	7.3
269.08054	20.5
271.09683	9.7
272.06750	4.0
275.07111	6.3
276.07779	8.8
277.08472	5.2
277.57956	2.1
278.05835	2.1
279.07092	2.3
279.10181	8.5
282.05719	3.3
282.08768	15.1
290.09378	4.1
291.10126	15.5
292.07263	4.3
293.08072	7.8
297.07431	2.2
299.09152	4.2
301.07031	3.7
303.05179	6.8
304.07257	2.3
305.08066	3.6
307.09732	11.5
308.10419	5.7
310.08386	11.3
311.12711	4.5
315.08618	76.6
316.09171	4.0
318.08630	2.9
318.59415	2.1
319.09622	9.8
321.07529	5.4
322.08105	2.9
322.11877	3.4
323.09277	4.1
323.12784	15.1
325.10687	3.8
327.05038	3.5
328.09384	5.8
330.10956	88.1
331.11664	12.8
335.09122	2.3
336.09860	5.8
337.10648	7.7
339.12292	9.7
343.11746	22.6
351.12204	29.7
352.12958	5.4
353.10220	5.3
356.12500	4.1
368.12463	8.1
369.13586	4.7
371.14853	4.6
383.10098	3.5
383.14899	60.0
401.12122	9.2
401.16843	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
54.47294	2.4
60.47659	2.3
67.05502	2.7
69.07030	2.5
71.70379	3.5
78.04697	3.1
79.05492	16.4
81.07058	2.4
91.05462	7.7
93.07001	2.7
93.88941	1.9
95.04957	5.8
95.08614	2.4
103.05458	4.4
105.07005	4.1
107.04948	28.6
109.06493	3.0
109.10166	2.3
111.04445	2.1
115.05454	3.4
117.06969	4.2
119.08563	2.5
123.04395	4.8
124.05138	5.4
125.05933	2.9
128.06201	4.9
129.06961	3.0
131.04951	3.4
131.08580	9.8
133.06468	3.0
137.06006	2.4
141.07024	3.1
144.05673	4.3
145.06442	7.1
146.34081	2.1
149.09534	1.9
151.03857	3.7
151.07481	2.5
152.04634	4.2
153.05464	3.0
156.05699	9.6
157.06523	3.5
158.07220	2.3
159.07996	11.5
161.05930	5.7
165.06911	1.9
167.07034	100.0
169.06358	2.0
173.05930	5.5
179.07024	3.4
181.04890	14.2
181.08620	2.1
186.06767	5.5
187.07513	10.8
189.05383	2.5
190.06268	2.2
190.69936	2.1
191.07016	4.7
191.08614	3.3
193.06543	2.0
193.08522	4.1
195.06468	4.0
202.06151	3.2
202.07837	2.9
203.08533	3.5
205.06631	4.1
205.08507	17.5
206.07256	2.2
207.06421	4.8
208.05170	24.4
208.08717	2.6
210.06744	3.8
211.07553	3.4
215.08659	2.7
217.08562	28.6
218.07242	6.2
219.08002	9.7
219.09923	3.7
220.08818	3.4
221.05977	8.9
229.08665	4.7
231.08072	9.3
232.08870	2.5
233.05945	3.8
233.09557	5.5
234.06561	2.3
235.07520	3.9
236.04697	8.2
236.08226	4.3
238.06204	2.5
239.06978	3.9
240.04224	3.5
241.08421	3.4
245.09546	4.1
247.07516	13.6
247.09764	20.2
248.08383	9.3
249.05458	2.5
249.09096	4.0
250.06187	2.6
251.10703	3.5
254.05652	7.9
257.04382	3.2
259.07623	3.0
260.08255	2.4
261.09024	6.2
262.09851	4.4
263.10626	9.8
264.07709	6.7
265.08640	3.1
267.06488	7.7
268.03467	2.8
269.08075	24.3
271.09589	8.3
275.07019	6.1
276.07767	7.6
277.08551	7.7
279.07294	2.0
279.10217	11.4
281.08160	3.2
282.05222	5.7
282.08792	13.3
284.06894	2.4
285.07758	2.9
287.09082	2.9
288.08020	2.5
290.09143	3.3
291.10147	15.8
292.07404	4.2
293.08041	12.4
293.10898	2.2
294.08688	2.3
299.09024	5.7
300.06293	2.6
300.10095	2.1
301.06967	3.0
304.07135	2.1
305.08035	3.3
307.09616	8.7
308.10434	6.5
309.11292	2.8
310.08203	6.3
313.06955	2.7
315.08627	77.4
316.09146	3.3
319.09570	10.6
321.07352	4.5
322.11960	2.4
323.12680	13.2
325.10992	2.2
328.09354	7.3
330.10959	92.1
331.11703	11.6
336.09790	5.6
337.10684	5.6
339.12311	10.4
343.11746	25.3
351.12256	28.6
352.12915	4.9
353.10107	6.1
356.12488	3.5
368.12350	6.2
369.13312	2.7
371.15054	5.2
373.12772	4.7
383.14893	62.6
384.15152	3.8
401.12048	8.0
401.16815	12.6
401.22885	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01874	1.3
65.03938	1.7
67.05473	2.4
69.03401	2.1
69.07056	1.8
78.04702	2.5
79.05489	15.8
81.07024	3.3
91.05473	9.6
95.04946	4.5
95.08598	1.7
95.72076	1.5
98.21487	4.3
103.05455	3.9
105.07021	2.3
106.04150	1.6
107.04948	26.8
115.05451	4.6
115.80612	1.4
116.06200	2.4
117.07009	5.7
119.04945	2.1
121.06515	1.6
123.04429	4.7
124.05180	8.2
125.05982	4.7
128.06244	2.2
129.06955	8.3
131.04938	3.6
131.08559	7.5
132.05594	1.8
137.05960	2.2
138.03131	1.5
141.06972	3.6
144.05693	7.8
145.06461	7.6
146.03638	1.9
151.03894	3.8
152.04654	3.9
153.05537	2.4
156.05682	11.6
157.06477	3.1
159.08038	17.7
161.05978	2.9
163.03857	3.8
167.07037	100.0
172.05280	1.7
173.05937	6.9
174.06763	2.4
174.65405	1.6
175.07565	2.0
177.05432	2.9
179.07027	3.7
179.08540	2.0
181.04959	12.4
181.06514	3.0
181.08572	3.2
182.07184	1.8
184.05156	2.3
186.06726	3.0
187.07478	11.1
189.06953	2.4
190.06192	3.3
190.07753	2.6
191.07040	2.9
191.08600	2.6
192.03925	1.7
193.08640	2.3
195.06496	3.9
195.08075	2.6
197.06104	2.2
202.06151	2.8
202.07803	3.4
203.08618	3.0
205.06705	2.7
205.08563	16.0
207.06506	5.7
207.10211	1.9
208.05197	22.7
208.08839	2.8
209.06017	2.0
210.06766	3.5
211.07524	4.4
215.06845	1.9
217.08569	31.2
217.10551	1.8
218.07237	5.9
219.08038	13.8
219.10222	4.4
220.08836	5.1
221.05992	8.0
221.09558	1.8
225.05434	1.8
226.06129	1.7
229.08574	3.8
230.07191	1.8
231.08113	8.9
231.10069	3.2
233.05894	3.5
233.09648	4.6
234.06662	2.2
235.07603	5.0
236.04601	7.6
236.08270	5.6
238.06122	3.4
239.07018	3.9
240.04170	4.4
244.08931	2.6
245.09534	2.5
246.06805	2.5
247.07468	12.2
247.09677	20.7
248.08238	13.0
249.05429	3.5
249.09111	4.3
250.06285	2.0
250.09917	1.8
251.10736	4.0
254.05840	8.6
255.06281	1.9
257.04544	2.4
259.07501	3.5
260.08081	2.9
261.09122	6.0
262.06369	2.7
262.09821	4.1
263.07022	3.3
263.10623	9.4
264.07748	5.1
265.08572	5.4
266.05685	3.0
267.06512	9.9
268.03561	3.0
269.08026	22.7
271.06149	2.3
271.09659	4.9
272.06821	5.0
275.07092	8.1
276.07776	8.1
277.08578	6.0
278.05704	2.6
279.10208	8.2
280.10864	2.1
281.08002	2.6
282.05148	6.1
282.08810	18.4
284.06833	1.8
285.07639	2.1
287.09351	2.9
290.09238	5.3
291.10107	16.2
292.07269	4.4
293.08176	9.8
299.09015	5.9
300.06299	2.6
301.07040	2.6
304.07333	2.3
306.08771	2.3
307.09671	10.8
308.10361	7.0
309.07620	2.7
310.08255	9.3
311.12772	2.5
315.08597	79.7
316.09085	4.2
319.09601	9.0
321.07541	3.8
322.08185	2.5
322.11783	2.3
323.09177	2.4
323.12683	12.6
325.10580	3.0
328.09195	7.4
330.10965	95.2
331.11707	10.1
336.09784	3.6
337.10617	7.5
339.12256	7.9
341.14056	2.5
343.11749	24.7
351.12289	29.8
352.12796	5.1
353.10138	6.0
356.12518	3.8
368.12598	7.9
369.13452	3.6
371.14825	5.6
373.12817	5.3
383.10147	3.6
383.14896	63.1
401.11142	7.6
401.16632	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34776	2.0
53.03941	2.7
55.05499	1.9
64.72095	2.0
69.42170	10.6
69.42596	13.5
70.06597	2.4
71.04998	1.9
73.46686	2.1
79.05489	20.1
80.14993	2.0
81.07056	5.5
85.02896	3.4
85.14501	2.0
90.11215	2.2
91.05500	10.3
95.04941	3.2
95.08616	2.6
106.04192	2.3
107.04956	31.0
115.05446	3.4
116.06222	2.5
117.06936	2.5
121.06506	2.6
123.04432	4.0
123.08050	3.6
124.05199	6.9
125.06039	2.7
128.06209	4.6
129.06992	6.5
131.08559	9.7
137.05939	3.5
139.03940	3.7
141.06985	6.0
144.05670	10.4
145.06546	7.5
152.04689	4.1
153.01830	4.0
153.05476	3.3
155.06059	2.4
156.05641	13.9
157.06500	3.4
158.07326	2.4
159.08022	13.3
161.05977	5.3
163.03870	3.5
165.07010	2.7
167.07034	100.0
173.06047	5.4
181.04929	3.5
181.08615	3.2
184.05240	5.0
186.06766	3.5
187.07559	12.4
189.05490	2.6
190.06215	2.3
190.07732	2.6
195.06578	3.9
201.09073	2.3
202.06265	6.1
202.07901	2.7
203.08543	5.9
204.07828	3.2
205.06635	4.1
205.08513	18.4
205.10179	2.5
206.36232	2.3
207.06432	7.0
207.08211	3.8
208.05200	16.3
209.07928	2.5
210.06818	3.2
211.07526	3.0
215.08678	4.5
217.06573	2.0
217.08572	34.4
218.07249	3.9
219.08058	12.9
219.10211	6.9
220.08916	4.4
221.05963	8.0
221.15334	3.3
226.06239	3.8
229.08617	5.5
231.08087	8.8
233.09601	5.0
234.06709	3.6
235.07481	4.0
236.04701	7.4
236.08357	3.2
237.09096	2.7
239.08801	2.6
239.16562	3.1
240.04193	3.5
245.09511	2.8
247.07516	12.7
247.09703	23.1
248.08304	15.1
249.09106	4.9
250.06142	2.9
251.06944	2.6
251.10703	2.9
254.05823	7.2
257.04559	3.3
261.09113	2.7
262.09982	4.0
263.06946	4.8
263.10721	11.0
264.07712	10.4
265.08618	6.1
267.06573	8.8
268.03662	3.3
269.08069	20.7
271.09659	8.6
272.06738	3.2
275.07050	8.0
276.07852	10.9
277.08673	6.3
278.05670	3.9
278.09085	3.1
279.10098	9.1
280.07404	3.0
280.10599	2.9
282.05731	3.6
282.08875	20.0
287.09015	3.3
290.09348	6.8
291.07147	3.4
291.10138	19.7
292.07431	5.2
293.08075	10.1
299.09201	4.7
300.06296	3.8
301.06982	3.8
303.04880	21.2
305.07828	3.4
307.09686	11.6
308.10361	9.3
309.07483	2.2
310.08429	10.4
311.12689	3.5
315.08606	76.8
316.09045	3.9
319.09711	8.0
320.10309	3.1
321.07547	7.5
321.10953	2.9
323.09100	3.3
323.12604	18.7
328.09360	5.7
330.10959	96.5
331.11725	14.7
335.09341	3.1
336.09851	3.8
337.10684	9.4
339.08521	4.5
339.12302	7.5
341.10382	3.2
343.11682	27.0
351.12238	31.7
352.12961	6.1
353.10248	6.0
356.12585	3.9
368.12619	10.7
369.13376	3.0
371.15051	4.9
377.01767	3.1
383.14932	75.2
396.98853	2.9
401.11703	5.4
401.16583	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.4
57.16789	2.8
65.03933	2.9
70.18459	10.2
70.18875	4.0
79.05493	17.0
81.03398	3.2
81.07065	4.3
83.08587	3.7
85.02880	3.1
88.11038	2.8
91.05479	8.2
95.04968	5.7
98.20808	4.0
103.05457	5.5
105.07012	4.8
107.04974	25.1
111.04452	3.6
115.05472	3.9
117.07044	3.7
119.08572	3.1
123.37738	2.9
124.05253	3.8
125.05983	4.1
125.09612	4.7
128.06233	5.0
129.06952	4.9
131.04919	7.0
131.08594	6.4
133.06412	2.7
141.06992	5.7
142.59676	3.0
144.05688	5.6
145.06494	6.8
153.05434	5.4
156.05690	7.8
157.06487	3.4
159.08035	13.1
163.03926	3.5
165.06955	3.1
167.07036	100.0
173.06036	2.7
179.07051	4.3
180.61467	3.0
181.04929	16.7
184.05148	3.1
186.06801	3.6
187.07527	6.8
190.07784	4.0
191.07063	5.0
191.08551	3.9
202.06256	2.9
205.06776	3.5
205.08447	14.9
207.06485	5.5
208.05147	17.4
217.06718	3.5
217.08592	28.9
218.07231	5.4
219.08073	9.7
219.10088	6.7
220.08868	3.2
221.05959	7.7
229.08629	7.1
231.08023	8.3
235.07678	3.6
236.04793	7.6
236.08395	4.8
237.59442	3.1
239.07036	3.4
247.07486	11.1
247.09662	18.4
248.08266	12.9
249.05316	4.5
249.09250	4.6
251.10710	4.8
254.05719	6.6
261.09131	4.8
262.10031	4.6
263.06958	4.2
263.10690	8.4
264.07779	6.4
265.08536	6.1
266.05490	3.0
267.06412	5.2
269.08047	24.3
270.08493	3.6
271.09525	7.6
272.06622	6.9
275.07108	6.2
276.07788	7.6
279.06732	3.0
279.10016	6.8
280.10843	3.5
282.05655	5.5
282.08871	14.0
291.10092	12.8
293.08096	9.3
299.09290	3.7
305.08121	4.3
307.09647	10.6
308.10568	7.1
309.11453	3.2
310.08353	9.2
315.08600	63.0
319.09677	7.0
323.12811	15.4
328.09344	7.1
330.10941	79.4
331.11658	15.1
336.09680	5.2
337.10748	4.9
339.12238	9.3
343.11670	16.8
351.12286	21.4
352.13095	6.2
353.10138	5.9
368.12573	9.0
369.13492	6.7
371.14749	4.5
373.12836	9.0
383.14899	60.3
401.11978	11.7
401.16666	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	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	21.4
58.03713	5.1
61.02915	9.0
69.03433	66.9
70.04896	28.2
70.06586	22.1
73.02917	5.9
74.88074	4.8
79.78964	4.5
81.03433	6.3
85.02905	100.0
86.09698	5.3
87.04460	42.2
88.09841	5.4
91.05447	6.8
97.02898	64.5
99.04442	5.4
103.03926	4.9
107.04978	21.0
110.07162	22.3
115.03925	51.1
120.08119	10.8
121.08868	4.5
122.09612	9.1
127.03927	19.5
133.04961	71.2
139.03894	8.5
142.64674	4.5
145.04951	24.4
146.09645	7.0
147.04398	9.7
147.27274	5.5
149.08363	10.6
150.07637	8.8
150.09134	6.3
156.07703	19.7
164.10762	10.3
165.05452	4.9
167.07022	13.8
178.08626	11.7
192.10205	15.4
208.05058	6.4
217.08623	5.9
220.09592	7.2
232.75267	5.0
238.10764	57.7
248.61952	5.6
250.83818	5.3
315.08832	8.9
330.11029	14.0
331.07574	6.4
351.12228	5.8
383.15030	7.3
401.11978	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	399.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.4
59.05007	2.4
67.05489	17.3
69.07061	15.8
70.97526	5.4
71.08604	1.9
79.05501	9.5
81.07052	38.7
83.04966	3.6
83.08611	6.4
91.05471	8.7
93.07038	36.8
95.04942	2.8
95.08601	100.0
96.08955	2.8
97.06546	3.5
97.10178	3.1
99.04442	4.5
99.10242	1.7
101.06013	5.9
105.07016	13.9
107.08585	47.0
109.06522	2.8
109.10149	33.9
111.11679	2.2
119.08582	19.2
121.10133	45.2
123.11691	9.3
129.05403	2.3
131.08589	2.9
133.10120	18.3
135.08031	4.9
135.11679	46.3
137.09734	2.0
137.13245	4.4
143.08577	2.2
145.10146	5.1
147.11685	18.5
149.09608	2.6
149.13249	27.1
153.09111	5.2
154.79688	1.7
156.52271	1.7
156.84433	1.7
159.11661	6.7
161.13196	8.8
163.11174	2.9
163.14812	9.6
167.10622	1.8
173.13289	6.5
175.14824	2.8
177.12729	8.9
181.12309	3.4
183.50372	1.7
189.16348	9.3
191.14320	8.4
191.17949	49.0
193.12218	2.8
195.13791	14.9
199.14731	2.6
201.16582	2.1
203.17953	7.8
205.19550	2.1
207.13721	4.7
209.15324	23.4
217.19514	7.9
239.28929	2.2
257.22757	2.2
261.18460	2.3
289.21573	2.7
303.23090	2.9
315.22995	1.8
399.32623	24.6
410.60648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.93066	0.8
57.03428	5.3
60.99435	0.8
61.02906	3.0
64.02988	0.8
69.03426	10.0
69.77332	2.6
69.77760	3.2
70.06571	1.6
71.04960	0.9
71.08612	1.6
73.02873	1.5
77.03921	0.8
81.03407	4.6
83.04964	1.1
84.38892	0.8
85.02896	24.3
85.10202	1.5
87.04432	1.1
95.04963	1.2
97.02882	10.5
98.20739	1.5
99.04441	2.2
101.05994	1.1
103.03958	1.4
103.05459	42.3
105.07008	1.7
107.04922	1.0
108.66177	0.7
109.02856	3.1
117.05463	1.5
127.03936	5.6
129.05443	1.8
130.04126	2.2
131.04919	100.0
132.05130	0.8
133.06487	4.2
136.06151	2.1
145.04927	2.2
147.06516	1.0
148.05179	12.2
161.06023	4.1
163.07530	45.7
175.07547	1.1
177.05438	0.8
196.65747	0.7
201.09058	2.8
226.47865	0.8
237.11150	1.5
250.09509	1.1
251.25760	0.9
259.57733	1.0
267.11301	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.18
Annotation	Spiraformin C
Peak:m/z	Relative Intensity
55.05492	3.9
55.30034	2.5
57.07059	3.8
66.85667	2.6
67.05480	4.8
69.44083	20.6
69.44502	4.2
71.09893	2.3
75.04464	11.1
79.26559	2.8
85.06538	4.3
98.21535	5.7
105.05490	6.0
105.84184	2.6
109.10136	3.3
112.56804	2.8
124.92129	2.8
131.04909	4.0
135.75494	3.1
161.05923	2.7
161.53648	2.7
165.06981	3.9
166.06308	3.3
173.11610	2.6
178.07855	3.6
181.06541	5.4
181.08585	13.5
182.07170	2.8
183.08018	2.8
187.07547	4.0
189.07036	2.5
195.08017	4.9
196.15625	2.5
197.05966	6.3
203.08623	4.2
204.09410	3.0
205.06458	6.1
206.07224	4.3
207.08051	3.6
209.05981	4.6
210.06726	5.1
211.07495	6.8
212.08163	3.7
213.05510	3.7
213.08961	4.0
215.08594	4.8
217.10155	4.9
218.07233	4.1
219.08104	8.8
220.08824	3.7
221.06036	2.5
221.09645	6.1
223.07523	7.4
224.08321	4.9
225.05457	7.9
225.09079	8.0
226.06270	6.0
227.06931	4.7
229.10201	4.2
231.08084	9.0
232.08849	6.4
233.05891	4.3
233.09637	10.0
234.06696	6.2
234.10284	2.9
235.07523	11.0
235.11162	4.5
236.08115	4.0
237.05423	9.6
237.09143	9.3
239.06972	7.7
240.07849	9.7
241.04910	4.9
241.08585	10.5
243.06367	7.5
244.08871	3.6
245.05911	3.3
245.09676	8.0
246.06868	4.1
247.07500	8.8
247.11200	9.2
248.08365	7.1
248.12033	4.8
249.09074	15.2
250.06227	6.8
250.09904	5.4
251.07072	6.2
251.10677	6.9
252.07814	8.3
253.04980	9.5
253.08563	7.8
255.06442	6.6
255.10220	5.7
256.07263	8.0
257.08118	10.1
259.07602	8.9
259.11060	5.9
260.08331	10.5
261.09158	18.9
262.09991	5.4
263.06961	8.4
263.10602	11.8
264.07837	6.9
264.11282	4.3
264.33954	3.0
265.05237	5.6
265.08566	18.6
265.12189	9.1
266.09271	3.6
267.06482	8.6
267.10330	7.0
268.07309	11.0
269.05228	2.7
269.08032	18.1
270.08856	3.8
271.05893	14.9
271.09692	14.2
273.09073	7.7
274.09897	7.0
275.10629	28.2
276.07870	9.9
276.11447	8.5
277.08551	15.9
277.12064	5.9
278.06259	2.8
278.09418	12.1
279.06589	4.6
279.10168	17.2
279.13562	6.2
280.07364	13.9
280.10898	6.1
281.04794	2.9
281.08115	10.9
281.11365	6.4
282.08826	8.4
283.09570	14.4
284.10367	14.3
285.07590	13.2
285.11224	7.3
286.08401	9.8
287.10751	13.2
288.11465	3.4
289.08798	6.8
289.12024	6.2
290.09280	4.9
291.10236	28.8
292.10886	23.1
293.08093	10.8
293.11713	25.3
294.08929	4.1
294.12161	5.9
295.09579	10.2
295.12927	3.8
296.06894	3.7
296.10260	4.0
297.07864	5.6
297.11258	16.7
298.11816	3.9
299.09235	7.0
300.09848	12.5
301.10739	61.0
302.11520	5.5
303.10004	21.4
304.10699	4.0
305.08176	5.3
305.11700	8.5
306.09070	4.9
306.12396	5.1
307.09702	8.0
307.13187	48.8
308.10544	6.8
308.14032	15.7
309.11188	14.3
309.14813	8.6
310.11908	10.9
311.09155	6.8
311.12848	7.5
314.11462	7.5
315.12247	21.6
317.11652	25.6
318.12531	49.1
319.09537	8.3
319.13226	11.5
320.10272	6.7
321.11136	11.7
321.14844	6.7
322.11981	4.6
323.12732	18.7
324.13632	7.0
325.10788	4.7
325.14368	16.2
329.13763	6.0
334.12018	8.6
335.12799	42.0
336.13574	22.2
337.10675	4.2
337.14316	11.2
339.15869	18.0
340.16565	4.4
341.14050	4.3
343.11804	10.9
349.14279	60.9
350.15170	31.1
351.12079	8.7
352.13040	9.3
353.13797	9.9
355.15222	5.5
366.14725	10.3
367.15396	51.3
368.16138	44.9
369.16980	3.2
381.16989	52.6
384.15616	11.5
399.18027	100.0
400.18384	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	399.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.5
56.96569	4.7
69.03415	1.9
71.08628	1.5
71.70331	1.0
74.06090	0.9
74.91924	0.8
81.03383	1.0
84.02542	0.7
84.04405	0.7
84.96008	0.8
85.02882	1.7
85.10152	0.9
85.47733	0.8
94.90886	0.7
97.02888	7.8
98.97569	3.2
101.05979	0.9
102.05519	2.4
110.97556	0.8
111.04437	1.1
116.98625	2.9
127.03921	0.9
128.16591	0.7
128.98613	1.1
129.05464	1.2
134.99684	1.6
136.06177	9.5
143.00302	0.8
146.05965	1.3
146.99628	1.2
147.06500	1.3
148.03920	0.7
161.01184	1.5
162.99075	0.8
177.00659	1.3
195.42607	0.6
201.00774	1.4
203.05278	5.9
213.00656	1.1
219.01888	1.6
219.07695	1.3
229.00143	1.0
233.99234	1.1
237.02710	3.3
250.09337	7.4
254.98148	2.0
261.08942	0.8
272.99188	1.3
279.09741	0.8
298.09369	1.5
348.06995	0.9
357.04947	0.8
381.01288	1.6
381.11591	4.0
382.01102	1.2
390.35474	0.7
399.12601	100.0
400.01727	0.9
400.12872	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	398.9768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98642	0.3
56.96561	8.8
57.07056	0.3
57.66088	0.3
69.71777	2.1
69.96152	0.3
71.95255	1.4
98.97573	52.0
99.97933	0.3
116.98613	54.6
119.01912	0.8
129.32152	0.3
130.93301	0.6
134.99646	40.4
137.02904	0.3
140.00183	1.8
146.35588	0.2
149.97253	0.2
153.00705	6.7
158.01254	2.7
172.94319	1.8
174.97638	0.7
176.02332	0.3
177.00919	0.7
178.01060	0.3
190.95386	5.0
192.98715	1.0
196.94534	0.2
208.96423	2.0
208.98050	0.3
213.97124	0.3
214.95367	1.2
216.98726	0.6
219.01988	1.0
220.01990	0.6
221.01875	0.3
232.96492	8.6
234.99881	1.7
236.00034	0.4
236.99841	0.3
240.98666	0.5
241.94106	0.4
250.97531	6.3
251.97752	0.3
255.95500	0.3
255.98096	0.4
256.96423	13.6
258.99829	4.6
260.00031	0.8
261.00037	0.5
261.03052	1.5
262.00488	0.3
262.03098	1.6
263.02835	0.5
273.99243	0.3
274.97495	100.0
275.97864	2.7
276.97763	0.6
277.00839	6.2
278.01041	0.7
279.00781	0.7
280.96777	0.5
282.99921	2.5
284.00150	0.4
284.99747	0.8
291.98355	0.3
292.98541	67.4
293.98816	1.7
294.98907	0.4
297.99100	9.0
298.97702	5.5
299.98007	0.8
300.02451	0.5
300.97876	0.5
301.01047	4.2
302.01193	1.1
303.00821	0.8
307.00293	0.3
310.99603	0.6
316.00146	4.9
316.98764	10.0
317.98859	1.7
332.96594	0.3
333.96533	0.4
340.00488	0.7
356.98282	1.8
374.99225	6.5
375.03506	0.5
375.99457	0.6
393.00101	0.5
398.00388	0.7
398.97623	2.0
416.98776	3.1
417.99051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.79190	1.1
58.54019	1.1
67.05515	6.2
69.03424	2.0
70.47031	3.5
70.47454	2.1
85.02889	3.1
91.05471	12.4
93.07063	6.5
95.08606	11.4
96.12321	1.1
101.02401	5.7
101.46488	1.3
101.67578	1.2
109.10141	8.2
119.07777	2.1
119.08580	37.7
137.09602	42.7
147.08008	4.7
155.10669	3.8
165.09142	6.0
174.87364	1.2
183.10182	5.1
201.11214	100.0
202.11479	2.8
219.12288	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61147	3.7
55.39016	4.1
57.03438	23.2
59.04997	4.9
60.04502	4.0
61.02895	4.0
65.45293	3.9
67.05490	4.8
69.03430	86.3
69.07055	17.9
71.27146	6.8
71.27473	6.4
73.02936	4.9
75.04423	4.9
81.07046	10.5
85.02904	88.1
87.04461	58.2
91.05489	9.7
93.07023	14.4
95.08573	10.7
95.71884	3.8
97.02888	70.5
97.06513	4.0
101.02410	5.6
105.07023	4.9
107.04935	5.2
109.02900	4.3
111.08058	16.3
111.40096	4.3
115.03921	86.4
119.08570	25.9
127.03910	15.8
133.04968	100.0
133.74989	4.4
137.09636	26.5
145.04991	24.1
147.08015	9.0
150.07613	10.4
153.01938	4.5
155.20108	5.2
163.05963	11.5
165.09164	8.0
179.03397	10.4
183.02820	6.1
183.10182	8.7
190.93488	4.2
192.10204	5.0
201.11205	52.9
205.04974	5.5
219.12294	7.8
238.05287	12.7
256.76566	4.4
259.08121	5.5
326.42050	4.1
380.13120	7.5
398.13962	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	397.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86293	2.7
55.05512	28.4
57.07072	29.1
67.05496	45.5
69.07066	57.3
71.08620	23.1
71.36920	3.1
71.42603	6.1
77.45390	2.8
79.05487	25.0
81.07048	100.0
83.08607	26.7
85.10183	16.5
91.05473	32.2
93.07036	46.1
95.08597	88.1
97.10156	25.7
105.07011	64.8
105.44846	2.8
107.08584	44.0
109.09412	5.5
109.10139	73.2
111.11694	11.8
117.06944	3.1
119.08576	42.0
121.10124	34.5
123.11681	21.8
131.08530	6.3
133.10114	37.6
135.11681	59.2
137.13222	5.2
145.10106	12.4
147.11668	92.5
149.13246	32.4
151.14795	5.7
159.11687	11.4
161.13248	70.1
163.14767	9.5
165.16362	3.1
173.13199	7.1
175.14804	27.4
187.14769	5.2
189.16345	13.9
201.16383	10.0
203.18004	8.6
207.20978	3.3
215.17953	13.6
217.19484	5.4
229.19394	6.9
243.20987	10.3
247.24295	4.8
257.22723	9.1
275.27267	4.1
287.27130	6.9
299.27341	3.4
397.38272	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	397.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05500	1.4
56.98663	0.5
57.03433	1.1
58.16368	0.6
58.99579	2.7
64.65723	0.5
67.05502	5.5
69.07067	1.8
71.72701	0.6
71.73108	1.1
79.05482	2.3
81.07048	3.5
81.32594	0.6
84.04511	1.1
86.99056	0.9
88.02205	0.8
88.55166	0.6
91.05470	1.4
93.07040	2.2
95.04951	0.7
95.08594	1.0
97.10156	1.7
101.04218	1.2
101.54858	0.7
105.07035	0.8
107.08562	1.1
108.08127	1.5
109.10143	1.3
112.03979	1.2
116.01669	3.3
117.07030	0.7
120.08153	0.6
121.08896	0.8
122.09702	1.0
125.09606	0.6
126.03831	0.9
130.04980	1.2
131.08595	0.6
132.08113	0.6
133.10106	0.7
134.09647	2.3
135.09235	0.6
135.11658	1.0
146.09627	1.9
147.09154	0.9
149.10721	1.4
152.05284	1.8
159.11658	0.8
162.02222	1.5
162.09149	3.4
164.05278	3.3
165.06068	1.0
166.06833	2.0
166.08629	1.8
172.11218	0.6
176.14336	6.7
177.06078	0.8
178.06848	2.1
180.10213	2.8
181.09741	1.1
182.06354	0.9
188.14320	1.4
190.15907	0.9
193.08115	3.0
193.09692	1.4
206.11810	2.1
207.11221	0.6
208.08427	2.6
208.11522	1.1
211.70361	0.6
218.15327	1.1
220.08310	1.1
221.07332	2.5
221.09241	10.4
222.09911	0.6
222.13089	1.0
224.07372	1.0
230.08479	1.0
233.09183	1.7
234.13077	7.6
235.13483	0.7
236.16467	7.1
238.10742	2.4
239.08469	5.3
254.07248	1.2
255.15926	0.8
266.07031	0.6
267.07962	54.1
268.08505	2.3
281.11676	2.7
294.15192	10.7
309.08994	1.0
320.32126	0.6
323.14276	1.1
324.14923	4.2
325.08551	1.0
325.15826	0.8
326.09171	5.1
327.10010	6.0
337.15762	28.1
347.44241	0.7
351.19330	4.2
363.19461	0.8
369.18243	0.7
379.16745	2.8
397.17905	100.0
397.26105	2.5
398.18280	4.1
417.91302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1644
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
50.00431	1.1
50.62907	1.1
56.38890	1.1
57.44584	1.0
65.03930	1.3
69.75153	9.2
79.05462	2.0
81.07039	2.2
82.20697	1.3
91.05470	9.5
93.03403	1.5
94.04187	3.5
95.04967	2.3
103.05446	3.4
104.14845	1.3
105.07032	3.4
107.04951	3.7
109.06536	1.9
111.04391	1.3
115.05475	2.8
117.07037	1.4
119.04950	7.6
119.08486	1.5
122.03638	8.8
128.06235	3.4
129.06984	8.1
131.04933	3.7
131.08551	5.7
133.06412	1.4
135.08018	1.3
137.05965	100.0
141.06953	4.7
142.07765	1.7
143.08537	1.9
144.05702	4.0
145.06502	2.7
146.03612	1.8
146.07231	2.4
147.04395	3.5
149.06009	5.3
151.07526	13.1
152.06223	2.2
153.06978	2.8
154.07791	1.4
155.08522	4.6
157.06474	4.7
157.10104	1.4
158.07288	2.9
159.08047	7.0
161.05988	12.6
161.09593	3.3
163.07553	3.0
165.06967	4.2
166.07693	1.5
167.08525	1.7
167.40199	1.2
169.06441	2.8
170.07307	1.8
171.08038	5.9
172.05263	2.4
172.08881	2.7
173.05951	1.3
173.09645	2.1
174.06744	1.5
175.07533	4.3
181.06509	2.5
182.07227	5.8
183.08023	4.8
184.05205	2.3
184.08817	3.3
185.05984	2.2
185.09647	12.2
186.06787	2.1
187.07509	5.8
187.11165	2.3
189.09097	3.2
189.12828	2.1
191.07059	8.8
194.07307	3.4
195.08122	2.0
197.06009	1.6
197.09645	8.8
198.06752	20.9
199.07520	10.0
200.08261	4.8
201.09062	5.9
202.07814	1.7
203.08545	1.5
205.06676	1.3
210.06720	3.7
211.07497	4.4
212.08339	4.3
213.09105	21.9
215.08759	2.4
215.10706	9.1
217.08565	3.9
225.09091	13.0
228.07813	2.1
229.08505	3.2
230.07300	1.3
230.10635	1.3
231.08128	2.4
231.10173	2.8
232.08913	2.0
234.06734	1.5
243.07971	2.2
243.10138	18.9
244.08681	2.1
245.09608	3.0
245.11786	1.5
246.07060	1.4
246.10301	1.8
247.07571	3.6
248.08260	2.5
249.09113	2.2
252.32147	1.3
255.07956	1.5
255.10194	7.6
257.09604	4.2
258.06830	2.0
258.10187	2.8
259.07593	2.4
260.08313	2.7
261.09042	6.0
262.09845	3.9
263.06989	3.2
263.10123	1.3
264.07773	3.9
265.08521	2.7
271.07428	3.1
272.08243	1.6
273.11258	60.5
274.09628	2.9
275.07114	2.2
275.10782	5.1
276.07883	3.3
276.11621	1.2
277.08606	6.0
277.11945	2.1
278.09372	2.2
279.09903	1.4
285.09238	3.7
286.09769	1.3
287.06992	3.2
287.10559	2.1
288.07867	2.6
289.08591	4.7
289.12152	4.7
290.09436	3.2
291.10117	8.2
292.07257	4.3
292.10892	3.2
293.08090	4.5
293.11691	5.1
294.08652	1.3
301.08633	2.8
301.12064	1.7
302.09320	3.3
303.10168	9.3
304.10641	2.1
305.08337	2.5
305.11810	3.8
306.08887	3.2
306.12341	1.3
307.09668	13.3
308.10443	8.2
309.11249	1.5
315.10040	1.9
317.11746	4.9
318.08984	1.6
319.09628	4.0
319.13257	4.1
320.10297	2.8
321.11240	7.5
321.14395	1.4
322.11703	1.7
323.12781	3.4
325.10782	4.1
331.09515	1.7
333.11145	3.2
334.11758	2.9
335.12805	9.8
336.13419	4.5
337.14316	3.0
339.12198	5.1
347.12888	2.9
348.13675	1.9
349.14276	6.5
350.15076	1.4
351.12241	17.1
353.13818	4.3
354.14587	30.6
361.14236	2.3
365.14136	2.0
366.14447	2.2
367.15411	4.5
379.15427	18.3
397.16394	97.7
397.21936	26.6
398.16867	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	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
51.34700	1.1
54.25738	1.1
56.53608	0.9
67.05493	1.1
69.03403	1.3
69.07047	1.2
69.67622	1.0
70.17438	6.8
79.05480	2.7
81.07050	1.7
83.82157	1.4
85.02893	1.4
91.05473	12.3
91.36036	1.3
93.07058	1.5
94.04177	3.0
95.04969	2.1
103.05459	2.9
105.07034	3.1
109.06522	2.0
115.05451	3.4
117.07011	1.8
117.83148	1.1
119.04951	6.0
119.08565	1.1
121.06517	2.6
122.03651	7.4
123.08057	1.5
128.06223	4.0
129.07007	6.3
131.04945	2.3
131.08549	4.8
133.02843	1.8
133.10107	1.3
137.05965	100.0
138.06270	1.7
141.06999	4.3
142.07794	2.6
143.08606	1.4
144.05710	2.9
145.06454	1.6
146.03589	1.5
147.04378	2.7
149.05980	4.8
151.07529	10.4
152.06184	1.9
153.06973	2.3
154.07762	1.7
155.08578	5.4
157.06540	3.2
158.07272	2.5
159.08029	6.0
160.05185	1.4
161.05943	14.3
161.09578	2.9
163.07567	1.5
165.06964	4.4
166.07959	1.2
167.08577	2.1
168.05684	1.5
169.06494	3.1
170.07269	1.2
171.08046	6.8
172.08835	4.5
173.09605	1.8
175.07521	3.8
181.06395	2.1
182.07219	6.9
183.08043	4.3
184.05217	1.7
184.08841	3.5
185.06082	1.6
185.09572	10.9
185.21194	1.3
186.06746	2.4
187.07541	7.0
187.11174	2.7
188.08298	1.6
189.09140	3.4
189.12794	1.3
191.07083	5.9
194.07327	3.5
195.08035	2.7
197.05914	1.9
197.09601	11.2
198.06758	17.2
199.07480	9.5
199.11139	1.7
200.08209	3.4
201.09097	4.1
205.06578	1.3
205.08508	1.9
209.05917	1.2
210.06764	3.3
211.07512	4.5
212.08315	4.2
213.09081	26.1
214.09756	1.2
215.08772	1.9
215.10608	7.4
217.10152	3.3
219.08061	1.7
224.08153	1.9
225.09082	14.0
227.10513	1.9
228.07632	2.3
229.08376	2.4
231.08167	2.6
233.09557	3.0
237.09271	1.4
242.09499	1.5
243.07971	2.4
243.10133	21.7
244.08755	1.4
245.09598	3.9
245.11757	2.7
247.07491	2.6
247.11287	1.8
248.08238	2.9
249.05602	1.4
249.09004	1.3
255.10054	6.0
257.09668	3.2
258.06918	1.7
259.07474	2.7
259.11234	3.0
260.08243	1.8
261.09073	5.0
263.10541	1.6
264.07788	3.4
265.08463	2.4
269.09393	1.5
271.07544	3.3
273.09015	3.6
273.11224	68.7
274.09702	2.1
275.10742	6.2
276.07794	4.0
277.08533	4.5
277.12012	1.9
278.09238	2.3
281.08075	1.4
285.09137	4.4
286.09894	2.0
287.06982	2.3
287.10681	3.0
288.07825	1.4
289.08588	3.7
289.12167	3.8
290.09329	2.9
291.10117	9.0
292.07352	3.6
292.10754	2.6
293.08005	3.1
293.11697	3.6
301.08545	3.9
302.09445	2.5
303.10062	5.6
305.08289	1.6
305.11682	3.5
306.08789	3.0
307.09540	10.2
308.10434	4.6
315.10211	2.1
317.11722	4.4
319.09637	2.8
319.13327	2.1
320.10388	3.1
321.11234	8.7
322.11844	1.6
323.12741	2.0
325.10703	3.0
329.11853	1.9
331.09708	1.7
332.10489	1.5
333.11115	4.9
334.11887	2.6
335.12756	7.8
336.13516	2.7
337.14047	3.1
339.12326	4.1
347.12775	1.6
348.13251	1.2
349.14340	7.4
351.12244	12.2
352.12613	1.8
353.13907	2.6
354.14606	23.6
355.15054	1.9
361.14313	3.7
366.14606	3.2
367.15366	4.1
379.15366	14.6
397.16440	96.4
398.16904	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	397.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07678	4.7
55.55790	4.6
60.20942	4.2
61.10067	4.6
64.11855	4.5
69.03424	5.0
70.12878	4.3
70.40911	23.2
70.41223	5.0
74.05863	4.7
76.67444	4.6
82.05934	6.4
84.91184	5.9
107.93947	5.1
112.01390	10.3
119.01909	7.6
148.07657	4.7
175.02759	5.4
185.04214	23.0
187.02100	9.1
189.04071	5.6
203.05238	10.2
217.03271	9.9
219.02687	11.8
231.04752	5.8
235.01704	5.5
275.07410	21.4
277.00122	7.1
277.06058	15.5
337.09781	17.8
349.07660	10.1
397.07141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
65.03943	1.2
66.30029	0.9
67.05472	1.5
69.68979	8.1
79.05470	2.0
81.07034	2.1
89.03915	1.0
90.83130	0.9
91.05463	10.6
94.04160	3.1
95.04959	2.3
95.08566	1.4
98.20757	1.9
103.05440	3.4
105.07024	4.1
107.04958	2.1
109.06512	2.1
115.05434	2.7
117.06986	1.3
119.04951	7.1
121.06482	2.3
122.03633	6.8
124.05254	1.4
127.03873	1.5
128.06195	4.6
129.06976	8.9
131.04919	2.7
131.08559	3.5
133.02827	1.4
133.06432	1.2
133.10089	1.5
135.04272	1.4
135.08025	1.7
137.05966	92.9
141.06973	5.6
142.07732	2.9
143.08556	4.1
144.05678	3.9
145.06464	2.2
146.03610	1.3
147.04419	3.7
147.08049	1.3
147.11601	1.1
149.05975	6.1
151.03874	1.5
151.07521	11.7
153.05600	1.0
153.06999	2.9
154.07755	2.1
155.08562	5.2
157.06454	4.2
158.07271	3.9
159.08063	6.6
161.05983	14.9
161.09612	3.4
163.07538	2.3
165.06978	4.3
167.08498	3.7
168.05621	1.5
169.06374	2.5
170.07300	2.8
171.08051	5.8
172.05179	1.6
172.08829	4.0
173.09602	3.0
175.07578	5.8
181.06503	2.8
182.07225	7.4
183.08037	5.9
184.08841	3.4
185.05927	2.3
185.09644	9.5
186.06757	2.6
187.07487	5.9
187.11157	2.8
188.08240	1.5
189.09085	4.2
189.12756	1.8
191.06970	5.3
194.07246	2.4
195.08049	2.1
197.05952	2.2
197.09561	10.9
198.06787	14.5
199.07518	9.0
199.11105	1.5
200.08281	3.7
201.09145	5.6
202.07806	1.9
203.08603	2.6
203.10648	2.0
205.08481	1.6
209.09685	1.2
210.06749	4.3
211.07530	4.4
212.08267	4.9
213.09097	25.2
215.08583	2.2
215.10655	7.7
217.08551	3.5
217.10361	1.6
217.12148	1.5
219.08076	1.5
224.08459	1.4
225.09062	15.2
227.10664	1.8
229.08389	1.9
229.10318	1.7
231.07990	2.8
231.10028	1.6
232.08841	2.4
233.09607	2.3
237.08990	1.5
242.07199	1.9
242.09401	1.9
243.08096	2.1
243.10167	21.0
245.09642	3.1
245.11798	2.7
246.10359	1.8
247.07535	3.3
248.08145	1.4
249.09056	2.6
255.10133	8.5
257.09570	4.3
258.06601	1.7
258.10425	2.3
259.07394	2.1
260.08365	3.3
261.09055	5.2
262.09875	1.2
263.10724	2.2
264.07858	2.2
265.08524	3.2
271.07498	3.9
273.11224	69.4
274.09637	2.7
275.07358	1.2
275.10626	5.1
276.07809	4.1
277.08597	4.3
277.12021	2.2
278.09274	2.7
279.06982	1.1
279.10037	1.3
285.09125	4.0
286.09793	2.4
287.07022	2.3
287.10675	2.7
288.07767	1.5
289.08551	4.5
289.12195	4.3
290.09268	2.7
291.10144	10.1
292.07208	3.1
292.10812	2.9
293.08084	3.5
293.11591	3.9
294.08698	1.5
295.09332	1.3
301.08517	2.8
302.09372	2.5
303.10089	6.7
304.10788	1.9
305.08334	1.8
305.11673	4.0
306.08643	1.6
307.09683	13.3
308.10428	6.3
309.11017	2.0
315.10168	1.9
316.11371	1.5
317.11673	4.4
318.12466	1.5
319.09586	5.2
319.13123	1.8
320.10321	3.4
321.11179	7.4
321.14374	1.3
322.11798	1.5
323.12885	1.9
325.10745	2.7
328.56760	1.2
329.11676	1.8
331.09781	1.6
333.11261	3.9
334.12112	4.1
335.12772	8.5
336.13589	3.2
337.14325	2.1
339.12149	3.3
346.12000	1.7
348.13742	2.0
349.14230	5.8
351.12265	16.4
353.13779	3.8
354.14587	23.6
361.14172	3.8
364.13193	1.2
366.14450	1.8
367.15329	4.8
379.15372	15.4
380.16040	1.3
397.16434	100.0
398.16934	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	395.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55946	0.5
53.03927	0.5
55.05505	9.6
57.03413	0.7
57.07056	1.1
65.03935	0.7
67.05495	0.7
68.37074	0.4
69.03408	0.9
69.07052	0.7
70.06568	1.2
71.44080	0.5
76.13679	0.4
81.03400	0.5
81.07037	0.7
83.04972	46.9
83.45349	0.5
85.02901	5.2
88.07606	1.6
89.07904	0.6
91.05481	5.3
93.98614	0.4
95.04954	2.0
98.21330	0.5
101.06007	0.7
102.09164	1.2
105.06981	0.5
106.17899	0.4
107.04936	1.8
111.04431	100.0
112.04790	1.2
115.05455	0.5
119.04935	4.1
120.99277	0.5
123.04408	3.1
127.03922	1.3
129.05476	3.5
137.05966	1.8
141.06924	0.5
147.04396	1.5
149.02328	6.2
149.03419	0.7
150.02707	2.7
153.05460	21.5
158.13763	0.4
159.08049	0.7
161.05875	0.7
163.03874	1.2
165.05426	2.2
169.06493	0.7
171.06566	2.3
179.06967	0.6
180.60114	0.5
183.08023	0.8
187.07542	1.5
189.05530	0.9
193.04945	7.1
194.05261	4.4
228.23189	1.9
229.08601	1.6
229.23627	2.8
280.64536	0.5
283.13239	0.6
387.43842	0.4
394.26138	1.6
394.51050	0.4
395.07690	0.7
395.16498	2.5
395.26181	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	395.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.1
58.99862	2.7
69.03424	1.5
71.70199	1.9
77.00909	2.0
82.99850	2.0
85.02883	2.9
97.02895	1.4
98.97565	4.9
99.97849	1.5
101.00876	12.9
103.02454	1.3
109.01423	1.9
113.00848	5.7
116.98639	2.9
117.03967	2.8
119.01917	46.2
119.02776	2.3
120.01994	2.8
127.02427	5.5
127.03925	1.7
128.98647	1.6
131.01897	34.3
131.96132	4.6
133.03452	4.7
135.05020	3.1
137.02963	8.5
141.04041	2.4
142.03526	1.9
143.01888	10.0
145.03450	50.3
146.03561	3.5
147.05005	2.3
149.02997	7.7
149.97125	2.3
153.03987	2.2
155.01866	12.1
157.03458	5.7
158.99614	2.7
159.05013	12.8
161.02937	18.2
163.04523	14.6
167.01913	1.5
169.03453	50.6
169.74699	1.3
170.03671	2.7
170.99727	3.1
171.01393	5.0
171.05003	21.2
173.02956	18.0
173.97156	2.4
174.03036	1.8
175.04491	3.4
177.00705	1.7
177.02496	1.8
177.06120	1.9
179.01900	2.0
181.03386	6.7
184.04478	1.5
185.02930	11.0
187.04504	74.3
188.04727	6.3
189.02446	12.8
189.06093	4.4
191.03978	1.4
193.00211	1.8
194.06711	2.1
197.03003	17.3
199.04497	21.9
200.04604	1.6
201.02431	3.4
201.06094	1.8
203.03978	11.9
207.03452	3.3
210.06094	4.7
211.04483	1.7
213.02376	8.0
215.03992	24.1
217.05659	2.9
217.51103	1.6
221.05000	6.9
225.02425	6.0
227.04018	3.3
229.05640	1.7
231.03479	15.7
231.27571	1.5
232.03464	1.8
237.02802	2.5
239.05939	6.9
243.03510	6.7
245.05011	4.3
257.01398	3.0
261.04813	1.6
263.06271	2.8
269.01349	1.5
275.02515	47.0
275.06119	100.0
276.00287	4.1
276.02795	3.7
276.06311	5.6
287.02484	36.7
287.06085	9.0
288.02859	2.6
289.07693	10.3
291.05579	5.0
293.03506	19.4
293.07150	11.5
294.04007	2.2
305.03500	10.3
305.07108	4.2
309.07034	1.5
311.04404	1.5
316.05292	3.2
316.08649	3.3
317.07178	2.0
335.04492	2.1
340.15515	1.5
359.04501	3.6
360.64291	1.5
377.05640	4.4
377.09793	7.1
378.05789	1.6
395.07205	5.9
395.11392	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	395.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18809	2.2
57.81521	2.6
58.99850	2.8
63.90432	2.1
69.61153	11.5
69.61578	7.2
85.02881	3.2
91.32246	2.4
96.52851	2.3
97.58121	2.4
98.20784	5.4
98.97594	4.0
101.00874	19.9
109.01406	3.0
113.00871	9.4
117.04001	3.9
119.01920	65.6
120.02044	3.0
127.02345	5.6
129.03943	3.2
131.00990	4.2
131.01909	51.2
131.02904	3.3
133.03445	3.8
135.05028	5.3
137.02937	9.3
141.03972	2.7
143.01921	13.4
145.03445	64.9
146.03543	3.9
147.04996	5.8
149.02950	10.3
155.01877	9.9
157.03464	9.6
159.05022	23.2
161.02956	20.0
163.04494	19.0
169.03464	50.2
170.03622	2.7
171.01399	7.3
171.05006	22.7
173.02948	24.4
173.06648	2.9
175.04584	2.7
181.03430	10.8
185.02979	11.0
187.04517	100.0
188.04625	2.8
189.02510	17.0
189.06050	7.3
197.02957	13.5
199.04521	34.7
201.02513	3.2
201.06065	2.6
203.03992	9.6
207.03485	5.6
210.06071	5.5
213.02455	13.5
215.03911	14.4
217.05528	5.0
221.05049	6.6
225.02472	7.9
231.03510	29.9
239.06116	7.9
243.03499	8.1
257.01480	7.4
261.04617	4.0
263.06070	2.7
275.02469	84.5
275.06082	59.6
276.02753	5.6
276.06302	2.9
287.02484	60.8
287.05762	4.7
289.07639	14.0
291.05545	8.6
293.03592	26.6
293.06845	3.8
294.03909	2.5
305.03622	18.5
316.08771	3.1
335.04684	3.3
359.04626	4.3
377.05508	9.1
377.09409	6.6
395.06757	9.1
395.11209	5.6
419.72012	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	394.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.9
64.93637	2.5
71.70829	4.4
72.08139	9.0
75.18748	2.6
79.05481	4.2
81.07030	8.3
81.23725	2.5
86.09677	3.0
92.99534	2.3
100.37673	2.7
105.06955	2.8
109.06516	9.2
117.75156	2.3
120.08082	6.8
125.05975	7.3
137.05972	100.0
137.09566	3.1
150.05490	3.5
161.09607	4.5
179.10681	42.7
197.11717	59.9
197.13393	4.8
256.07993	5.0
298.09265	2.9
316.10089	5.3
328.17059	3.1
347.98694	2.6
366.86810	2.7
376.12143	14.8
394.34668	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	394.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.8
57.07069	9.8
61.89592	2.3
67.05505	17.2
69.07060	100.0
70.06572	10.0
71.73026	4.8
73.51120	2.4
77.37317	2.6
79.05500	7.1
81.07043	38.3
82.07378	3.1
83.04982	4.3
83.08623	5.4
88.07615	16.1
88.28822	2.8
91.05482	2.6
93.07031	8.2
94.82639	2.2
95.08601	8.8
101.04227	3.4
102.09179	9.7
105.07011	3.7
107.08585	5.7
109.10151	15.7
111.02644	3.8
111.04410	7.3
111.11723	3.4
121.02771	2.3
121.10145	5.1
123.11690	94.2
124.43977	2.5
129.07037	3.2
135.04384	4.8
139.02103	10.6
145.06531	3.9
149.02322	63.3
149.03273	2.8
159.08083	3.3
163.03912	5.0
165.00031	5.4
167.01608	74.0
171.07982	3.8
173.06020	2.9
174.06845	4.3
175.05679	2.7
175.07645	3.2
177.03682	3.7
179.01607	7.0
181.03241	3.0
182.81317	2.6
185.06024	2.8
188.08333	9.0
191.01637	7.0
192.99631	3.0
193.03181	15.2
193.04961	69.2
195.01091	93.5
200.08327	2.9
200.57574	2.7
203.05226	3.4
205.03130	15.9
207.01123	7.4
207.04742	34.7
209.06416	3.8
213.05574	3.0
215.07062	3.4
216.07841	9.6
219.04745	10.7
221.02686	8.8
221.06241	25.3
227.03723	70.1
227.07045	3.6
228.07773	3.0
228.23216	38.6
231.04759	5.2
233.02675	5.3
233.06213	18.4
235.04202	27.0
238.05267	12.9
247.04298	9.2
247.07843	4.5
249.05820	23.5
253.05246	5.4
257.15158	3.8
261.05783	11.6
262.67075	2.8
265.05338	3.6
267.06827	45.1
270.08029	7.3
271.11588	5.6
279.06952	5.0
281.08435	7.6
283.13416	2.7
284.14072	2.6
289.12537	61.2
293.08322	7.5
299.11151	4.8
317.12039	52.7
349.14636	33.8
358.61978	2.6
394.20465	10.0
394.25735	67.2
394.33850	3.2
395.07327	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	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	8.0
55.30424	7.7
56.96557	25.2
58.67990	6.8
69.03410	12.1
70.01911	8.1
70.11776	43.1
71.58573	8.5
81.03412	8.7
85.02887	26.5
91.05470	15.4
97.02893	10.8
97.47643	7.5
98.97609	17.5
112.07555	12.6
116.98574	8.4
119.04932	31.1
128.98598	11.0
134.09686	11.8
137.05952	100.0
139.03879	18.0
147.04408	52.1
153.01805	17.2
158.99736	7.9
161.04730	6.4
163.20824	8.1
166.07237	13.5
167.06987	8.9
174.04385	12.7
179.07042	59.4
197.01428	8.3
197.08118	15.0
197.54428	6.9
219.01712	7.8
237.02740	11.4
281.79492	8.9
394.34387	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	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38527	7.8
55.05491	24.7
57.07076	11.2
65.83588	9.6
67.05493	44.6
69.07057	19.4
69.45937	8.2
70.55077	33.0
79.05495	40.6
81.07053	72.3
83.08629	9.9
91.05474	53.2
93.07038	86.7
95.04961	70.2
95.08598	69.0
105.07028	100.0
106.14185	8.3
107.08577	53.4
109.06497	24.0
109.10123	17.4
117.06976	24.9
119.08569	93.7
121.06484	25.4
121.10116	45.2
122.40842	8.2
123.11694	17.0
128.06197	14.8
129.06999	15.7
131.08589	43.7
133.10130	63.2
135.11639	24.4
142.07787	19.1
143.08546	28.3
144.09431	10.2
145.10117	65.6
147.11682	34.6
155.08551	16.0
157.10110	68.7
159.11667	57.8
161.09631	18.4
169.10086	29.2
171.11702	29.8
173.13255	25.4
175.11147	15.6
175.14810	21.9
183.11754	20.2
185.13428	10.0
187.11194	12.3
187.14844	12.5
195.11844	8.8
197.13280	19.1
207.11705	12.2
209.13359	15.2
211.14941	13.8
269.03979	11.2
340.74585	8.5
393.27667	17.7
395.62991	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.0
55.01870	2.8
55.05505	21.1
57.07069	12.7
59.05004	2.7
65.03915	6.4
67.05203	2.7
67.05498	37.4
68.75285	2.2
69.07072	19.4
69.88326	9.9
69.88727	4.5
71.04967	3.4
77.03893	3.2
77.47169	2.5
79.05480	46.9
81.07046	67.2
83.04967	6.4
83.08589	10.9
84.97356	2.9
85.06528	5.4
91.05471	62.4
93.07037	80.5
93.14867	2.4
95.04955	67.7
95.08028	4.7
95.08594	62.9
97.06517	11.0
103.05438	6.3
105.04489	5.0
105.07023	100.0
107.08582	61.8
109.06519	16.7
109.10164	25.5
111.07977	3.0
115.05425	5.7
116.06198	2.9
117.07003	24.5
119.08566	99.7
121.06494	21.2
121.10125	35.5
123.08062	6.9
123.11677	12.2
128.06232	14.7
129.07002	18.1
130.07755	11.1
131.08548	46.8
133.09186	4.7
133.10120	59.6
135.08022	6.7
135.11656	23.9
137.09615	3.5
141.06944	10.4
142.07753	25.9
143.08537	35.7
144.09361	14.6
145.08990	4.1
145.10107	69.0
146.07269	4.8
147.08044	4.9
147.11693	25.7
149.09575	6.8
149.13222	3.7
153.06958	5.5
154.07715	4.4
155.08536	19.4
156.09395	13.6
156.10536	2.3
157.10114	58.8
158.10835	5.2
159.08081	7.2
159.11674	50.9
160.12042	2.7
161.09584	24.2
161.13231	9.2
163.11174	6.1
165.06935	5.2
166.07713	3.3
167.08533	9.5
168.09346	8.2
169.10114	28.0
170.10841	10.6
171.11690	24.1
172.12463	6.1
173.13257	27.9
175.11166	11.9
175.14751	20.0
179.08528	8.8
180.09306	3.1
181.10133	11.0
182.10843	6.9
183.11649	22.0
184.12402	6.1
185.09621	2.6
185.13269	15.2
187.11151	8.7
187.14781	15.4
192.09204	3.1
193.10121	7.2
194.10902	6.0
195.11687	13.5
196.12361	3.6
197.13216	15.4
198.14024	2.7
199.11209	4.0
199.14775	9.2
201.12712	5.4
201.16379	9.3
205.10005	3.5
207.11697	4.9
208.12401	2.9
208.98439	2.3
209.13187	17.9
210.13892	3.7
211.14795	12.9
213.16364	4.3
219.17413	3.9
221.13367	6.8
223.14786	9.1
225.16415	7.7
233.13222	4.4
235.14835	8.5
237.16316	4.8
239.14297	4.8
239.17941	3.5
241.19501	2.8
249.16182	3.7
253.15845	6.2
263.17853	3.1
265.19519	3.4
295.20535	2.8
375.26910	5.2
393.27789	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	393.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01870	1.0
57.03443	6.6
57.64228	0.6
59.05003	0.8
59.54771	0.6
61.02914	3.8
68.32059	0.6
69.03425	14.7
70.06572	1.6
71.01337	2.3
71.04993	3.7
71.71142	0.9
73.02897	1.7
75.04468	2.2
78.47960	0.6
81.03422	4.9
85.02917	0.6
86.09671	1.2
87.01950	0.6
91.05476	0.7
94.07552	0.7
99.04451	5.1
115.30053	0.6
117.05477	0.9
122.32458	0.7
131.04851	0.7
133.07576	1.4
143.01028	0.7
151.03928	1.1
153.01802	3.2
156.68216	0.6
160.08771	1.0
161.07097	4.6
168.73172	0.6
173.05865	1.0
175.08615	0.8
186.06610	1.0
188.08167	24.8
190.09772	1.6
191.08249	0.7
203.57994	0.6
214.06110	5.4
214.09650	0.8
216.07672	2.6
230.09323	0.6
232.07152	14.4
234.08690	3.8
259.08255	66.8
260.06610	1.8
305.87836	0.6
309.07419	0.9
374.09778	0.7
375.13007	4.6
393.14023	100.0
394.14301	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	393.1175
Annotation	Breynioside A
Peak:m/z	Relative Intensity
53.03948	0.8
55.05503	5.3
64.37383	0.4
64.97810	0.4
65.03934	0.5
67.05488	1.5
69.03439	0.9
71.70634	0.6
74.18997	0.4
79.05482	3.0
81.07052	1.4
81.65484	0.4
83.04974	21.8
89.03918	7.1
89.34519	0.4
91.05460	0.9
93.07037	0.6
95.04942	0.9
95.08595	0.6
105.06991	0.6
107.04962	2.7
111.04433	71.2
112.00018	0.4
112.04776	1.1
117.03369	9.2
121.02856	1.3
127.03870	0.9
129.05446	1.5
135.04401	21.6
145.02835	15.7
153.05452	22.1
163.03891	100.0
164.04222	1.9
171.06531	0.6
178.09625	0.5
181.04965	0.7
182.15332	0.9
186.05371	0.6
197.48680	0.4
210.14867	0.6
309.14960	0.6
393.11786	1.1
393.26111	0.9
393.30981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2326
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
55.05499	18.8
57.07060	11.9
61.02906	6.7
67.05495	18.5
69.03426	15.3
69.07040	10.7
69.72997	31.0
70.06582	6.5
71.08612	13.6
74.18592	4.6
79.05468	6.1
81.07030	15.3
83.04961	21.1
83.08610	10.0
85.02892	19.9
85.06529	10.8
91.03950	6.7
91.05455	10.0
93.07035	8.2
95.08627	11.8
97.02874	8.1
97.06502	6.0
99.08096	5.8
103.05451	5.7
105.04488	5.1
105.07012	7.1
107.08559	11.6
109.06413	5.4
109.10136	28.7
121.02861	5.9
121.06559	5.5
123.11706	9.5
133.10118	6.2
135.08051	6.0
135.11684	6.0
137.05956	18.9
147.04361	6.1
147.07922	5.3
149.02342	100.0
162.06731	5.0
162.26147	4.3
167.03407	13.8
167.14383	7.0
169.12222	15.4
171.13710	6.0
177.09070	5.0
185.15315	4.6
211.16902	48.9
229.17970	45.6
246.85565	5.2
331.84512	5.3
395.84323	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	392.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.01855	4.3
56.96561	22.4
57.03415	6.5
60.04515	18.7
61.02914	6.8
67.05506	3.7
67.08069	3.5
69.03419	22.5
69.38103	3.6
71.68666	5.8
73.02914	7.9
74.06087	5.4
80.04984	4.2
81.03406	13.8
81.05801	3.8
84.04505	23.6
84.96046	4.4
85.02900	62.6
88.03985	4.0
94.06530	4.8
96.04487	7.5
97.02887	26.8
98.97574	10.7
100.02171	4.3
102.05561	3.8
107.01329	4.8
109.02871	23.2
110.06025	16.8
113.04591	9.9
116.98617	10.3
121.02843	5.1
122.06023	9.7
123.04417	7.6
124.02300	3.5
125.02316	9.3
127.03923	44.0
128.98601	4.0
130.04980	6.1
134.99620	4.7
138.04457	4.7
138.05457	29.4
139.03870	7.0
142.03215	35.5
142.04964	12.4
143.03413	5.1
145.04971	8.4
146.99686	5.7
149.02335	25.8
149.97136	4.5
150.02687	4.4
150.05566	4.0
153.01805	53.5
161.01242	5.8
166.04968	56.8
167.03354	17.8
168.06520	38.1
170.02663	8.0
171.02879	52.5
177.00787	4.6
183.64790	3.6
184.06013	7.2
189.00665	3.9
194.04497	44.9
195.02956	9.6
201.00769	4.9
212.05511	100.0
213.03845	9.1
219.01826	12.2
225.12071	3.4
226.05954	4.9
230.06612	69.2
237.02826	13.3
244.99614	9.9
245.05922	11.8
245.09544	5.5
263.00659	9.2
267.00159	5.7
279.97794	3.6
291.00110	6.3
312.16849	3.8
344.85580	3.7
392.11853	6.2
418.46744	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	391.2322
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
50.59491	4.6
55.05492	7.2
55.28123	4.2
67.05490	4.9
69.07043	13.4
69.72017	14.3
69.72441	22.2
71.04973	5.4
71.08628	11.8
79.05490	6.0
81.07031	23.1
85.02892	14.3
91.05471	9.7
93.07043	9.9
95.08597	29.6
97.06530	7.4
105.07023	16.2
107.08602	8.6
109.10146	15.2
111.95727	4.8
115.07546	12.8
116.32868	4.0
119.08582	50.8
121.02831	5.6
121.06428	6.8
121.10117	6.6
125.05961	8.0
131.04974	6.5
133.10104	25.4
135.11688	8.8
137.05952	25.7
147.04398	13.4
147.11665	6.6
149.02328	100.0
149.05859	5.1
153.05482	14.8
161.06006	12.3
162.06787	8.2
167.03381	8.9
175.14795	60.2
177.05475	7.9
183.06564	6.4
193.15840	45.7
208.33266	5.0
209.60136	4.7
211.16960	11.3
229.17949	22.1
330.06085	28.1
341.10385	12.8
349.10675	6.0
410.60083	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	390.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	15.3
67.05489	38.6
69.07043	18.4
71.71910	16.0
79.05480	20.2
81.07037	21.2
84.04488	18.6
85.02879	26.2
91.05472	12.3
93.07031	17.1
95.08606	45.9
103.18318	8.1
107.04979	10.9
107.08555	20.0
109.06513	12.0
109.10146	100.0
119.08555	53.6
121.10120	29.0
123.08070	16.8
123.11667	9.0
123.90891	9.8
132.05240	12.1
133.10106	35.1
135.11676	81.9
137.05965	25.2
137.09595	24.5
138.06320	10.4
139.03864	35.3
149.02312	14.5
149.05907	9.0
161.06007	11.3
175.07483	10.8
175.14787	88.6
176.07938	12.1
178.05823	12.4
181.04973	16.0
182.05275	15.3
189.09062	13.2
193.15858	98.9
207.10390	9.2
209.08080	16.1
210.08408	15.4
211.16983	79.9
216.32855	8.8
372.15207	11.7
390.15955	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	391.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	7.8
57.07084	1.0
59.47409	0.5
67.05487	1.0
68.05026	1.3
69.07050	1.0
69.73129	4.1
70.06569	0.8
71.08614	1.7
79.10889	0.5
81.07044	0.7
82.00539	0.9
82.06597	0.8
84.04493	33.7
85.02891	1.4
86.06059	9.4
86.09695	100.0
87.10039	1.2
91.05466	0.9
96.04494	4.2
98.02390	1.2
98.06037	0.9
101.06023	1.1
102.05510	0.8
105.07018	0.6
107.08578	1.0
108.04443	1.1
109.10165	0.6
110.06059	1.0
116.03444	0.6
121.50265	0.6
124.11230	2.3
126.05502	2.5
128.07069	6.9
130.04990	20.4
136.03923	66.9
137.04274	1.2
137.05936	0.7
145.14476	0.6
146.11742	27.2
147.11940	0.5
149.02316	11.3
152.10678	15.5
153.01851	0.7
154.04974	13.7
154.12251	0.9
156.06546	5.9
161.06015	1.1
164.03413	16.3
167.03423	1.4
172.06097	0.8
177.16621	0.7
182.04465	13.5
184.13327	21.5
200.05518	5.6
210.03940	7.0
212.12794	45.3
213.13118	1.3
218.06541	1.0
225.10182	0.6
228.05013	11.0
246.06007	3.8
257.15167	1.0
274.71207	0.6
275.16074	3.7
285.14532	1.1
313.14063	3.7
331.14975	15.8
345.16641	1.8
359.14706	3.4
373.15808	1.0
385.19107	0.6
391.16977	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	390.1866
Annotation	Glu-Glu-Ile
Peak:m/z	Relative Intensity
56.05042	2.5
56.78618	0.6
69.07063	1.5
71.33720	1.1
74.33804	0.5
84.04499	54.4
85.02875	3.3
85.04838	0.7
86.06063	6.9
86.09700	100.0
87.10039	2.2
92.28091	0.5
94.06602	0.6
96.04478	0.8
102.05536	6.3
103.84407	0.6
107.04939	1.2
114.05522	4.1
121.02902	0.5
122.06043	3.1
124.11225	0.6
130.04022	1.0
130.04991	15.9
132.10196	65.9
133.10513	1.2
135.92549	0.5
142.04979	7.3
148.06061	1.0
149.02319	0.7
149.07095	1.5
150.05505	1.1
152.10683	4.9
167.06975	0.9
168.06540	5.5
168.07791	0.8
169.08604	2.3
170.11739	2.8
195.07632	3.8
196.06137	1.2
197.12813	0.9
198.11246	20.8
215.13936	1.2
241.08241	3.3
242.06583	2.2
243.13303	2.9
244.11787	13.7
259.09314	1.7
261.14453	47.9
262.14807	1.7
277.10287	1.0
281.14886	1.2
327.15546	1.9
347.09683	0.6
372.17358	0.7
373.16006	0.9
390.18661	6.0
391.15735	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	389.2167
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.01875	8.8
55.05505	9.7
67.05489	5.5
69.03416	12.1
69.07056	6.3
70.06584	10.5
70.35915	11.4
70.36308	8.3
81.07069	10.5
83.04984	5.5
86.09692	9.4
91.05481	6.3
92.01392	4.8
93.07013	12.4
95.04945	7.0
98.21370	5.8
103.05453	7.3
105.07053	7.9
107.08593	19.8
109.06546	7.8
109.10139	7.8
111.08068	11.5
112.21741	5.5
119.08579	6.2
121.06503	4.8
121.10103	18.9
123.11703	6.6
125.09621	57.8
133.10123	7.5
137.05954	11.0
139.03902	17.0
149.09607	57.7
149.13240	7.1
151.11171	14.2
153.09084	15.5
163.07608	5.1
167.07008	9.8
173.13292	6.5
181.04951	10.0
191.14301	28.5
209.08194	5.1
209.15355	100.0
227.16440	10.1
237.10179	6.3
247.20815	5.3
265.09793	10.3
293.09158	10.7
297.08539	9.5
311.10385	8.8
339.09833	10.8
389.13403	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	389.159
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03939	1.6
53.05477	1.7
55.01868	39.3
65.03933	10.1
65.80290	1.4
67.05484	5.8
69.03422	3.0
69.62460	13.0
74.09698	2.6
79.05474	6.3
81.07044	2.4
81.66025	1.3
82.04190	2.6
85.02882	4.6
86.28966	1.3
91.05466	4.4
93.03380	3.3
93.07030	2.0
94.04165	2.7
95.04952	9.1
97.02917	1.9
97.06523	2.5
98.20733	3.5
103.05449	15.8
105.07030	1.8
107.04939	8.0
110.03648	4.9
111.04398	3.5
115.05441	2.4
117.06975	2.8
119.04877	1.8
119.08572	1.4
121.06472	5.1
122.03616	4.1
123.04392	6.3
124.05135	2.3
125.05962	5.2
128.06204	2.6
129.06999	9.6
131.04919	22.6
137.04948	2.3
137.05963	33.1
138.03073	2.7
140.04613	1.7
142.02539	3.6
145.06453	6.3
147.04396	3.5
149.05975	10.7
151.03894	3.6
151.07579	9.8
153.05444	4.1
155.07043	2.1
157.06520	7.6
159.04443	1.7
160.05185	4.3
161.05933	4.1
163.03853	1.5
163.06296	2.1
163.07506	8.6
167.07030	24.6
171.06541	7.3
174.06726	6.4
175.07521	33.9
177.05455	40.9
178.05798	1.4
181.04945	100.0
183.06516	5.9
183.84340	1.5
185.06026	1.5
187.07529	2.3
189.09090	12.6
195.10132	7.2
201.09085	2.8
205.08728	1.9
209.08073	55.8
217.06593	1.9
217.08565	6.7
219.08197	2.8
219.10098	12.8
221.08070	1.9
235.09627	2.7
247.07523	2.5
249.09056	2.7
251.84482	1.6
258.69995	1.5
261.09103	2.5
277.08578	5.7
293.11624	2.5
309.11230	4.5
339.12335	7.3
341.13788	4.1
353.13806	2.6
359.14825	4.1
371.15018	9.9
389.15930	44.7
390.16220	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	389.1591
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03933	2.4
55.01868	38.4
65.03937	11.7
67.05492	5.0
69.03426	2.7
69.63944	7.3
69.83413	0.8
71.04974	1.0
79.05499	5.0
81.03436	1.4
81.07027	2.9
82.04184	4.1
85.02900	8.2
91.05474	3.4
93.03384	1.3
93.07030	2.9
95.04967	4.8
95.08595	1.7
97.06511	2.9
98.09679	1.0
103.05457	17.7
105.07020	2.5
107.04945	7.9
108.02110	1.6
109.06512	1.5
109.10117	1.7
110.03647	5.1
111.04424	2.6
114.46690	0.9
115.05415	1.5
117.07018	2.7
119.08580	0.9
121.06506	5.1
121.10114	1.2
122.03632	4.1
123.04433	6.1
124.05225	1.7
125.05972	3.0
128.06203	2.2
129.06999	8.2
131.04913	19.9
131.08478	1.7
133.06502	1.9
135.04407	1.7
135.08061	1.4
137.05962	34.3
138.03090	3.2
138.06345	1.1
139.03862	2.0
142.02592	2.8
145.06464	4.9
147.04449	3.0
147.07979	1.0
149.05989	10.7
151.03893	2.7
151.07491	1.1
153.05467	2.8
155.07022	2.0
157.06465	8.7
159.04384	1.9
160.05203	4.1
161.05965	3.7
163.03960	2.0
163.07506	7.9
165.01819	1.9
167.07024	25.0
171.06532	8.5
173.05937	1.5
174.06746	3.5
175.07533	16.9
177.05463	42.1
177.07033	2.0
177.08951	1.8
181.04948	100.0
182.05313	2.7
183.02960	2.0
183.06476	2.7
185.06039	1.2
187.07521	2.6
189.07433	1.3
189.09103	10.8
191.06993	2.8
191.17961	1.1
193.08565	1.8
195.02930	1.3
205.08598	2.2
208.60083	0.8
209.08076	62.0
210.08444	1.5
217.06693	1.6
217.08617	7.8
218.07164	1.6
219.08080	1.7
219.10080	2.2
221.08002	1.3
233.09546	1.2
234.06644	1.6
235.09671	2.3
247.07524	1.9
248.08325	1.0
249.09171	3.3
251.10704	0.9
261.09180	2.9
263.07272	1.0
263.10733	1.3
265.09311	1.1
269.08087	1.1
277.08566	5.6
279.10297	1.9
281.08298	1.1
281.11438	1.3
293.11771	1.9
294.08688	1.1
295.09961	1.1
307.09689	1.7
309.11337	3.0
321.11151	3.1
332.83514	1.1
339.12350	8.2
340.13007	1.1
341.13797	3.9
353.14053	1.8
359.14911	2.7
368.68182	1.0
371.15079	8.3
389.15927	41.5
390.16269	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1592
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
51.02386	0.8
53.03921	1.3
54.04681	0.7
55.01869	36.6
65.03644	0.6
65.03934	7.9
65.28282	0.9
67.05491	3.7
69.03405	1.0
71.14617	0.7
71.31729	1.9
71.32112	0.6
71.47221	0.7
73.76950	0.7
79.05498	4.6
79.05878	0.7
81.07042	1.3
82.04179	3.6
85.02899	5.5
91.05473	4.1
93.03375	1.8
93.07030	1.3
93.20482	0.7
94.04150	1.8
94.96861	0.7
95.04961	4.5
95.08586	1.1
97.02863	0.9
97.06506	3.0
102.27411	0.7
103.05459	14.6
105.07024	0.9
107.04935	7.2
108.02106	1.2
109.06511	1.7
109.10200	0.7
110.03652	4.6
111.04437	1.8
115.05421	1.4
116.61972	0.7
117.06982	2.4
119.04905	1.6
121.05697	1.0
121.06499	5.8
122.03628	2.6
123.00790	0.7
123.04427	7.2
124.05202	1.2
125.05984	3.7
127.03938	0.9
128.06186	2.1
129.06981	8.5
131.03979	1.5
131.04918	19.4
133.06442	1.9
134.03622	0.8
135.04405	1.2
136.05536	0.8
137.05966	31.7
137.07030	1.8
138.03102	3.2
139.03839	2.3
140.04680	1.4
142.02568	3.3
145.06462	4.4
147.04376	2.4
149.05968	9.1
151.03886	2.7
151.07550	1.2
153.05447	4.0
155.06990	1.4
157.06474	6.3
159.04401	2.2
160.05205	3.5
161.05968	3.2
163.03886	1.7
163.07516	6.4
165.01823	0.7
165.05515	0.9
167.07030	20.8
168.07405	1.1
171.06500	6.7
171.07892	1.1
173.05962	1.7
174.06776	3.4
175.07559	13.8
177.05457	35.9
177.08908	1.1
178.05765	1.6
181.04942	100.0
182.05304	2.5
183.06522	2.7
185.05927	1.6
187.07477	1.7
189.07240	1.1
189.09094	9.2
191.06975	2.2
191.14330	0.8
192.38963	0.8
193.08617	1.8
199.07550	1.0
201.09142	0.9
203.06982	0.9
205.08571	2.5
206.07199	0.9
209.08072	57.6
210.08418	1.9
217.08574	7.8
218.07225	1.1
219.08177	1.3
219.10081	3.7
221.08000	1.7
231.07990	0.9
233.09302	0.8
234.06726	2.0
235.07468	1.3
235.09581	2.1
247.07486	1.2
248.08272	1.2
249.09044	3.7
261.09058	2.3
262.09814	1.3
263.60168	0.8
265.08493	0.8
275.10751	0.8
277.08630	5.8
278.09317	1.5
279.10129	2.2
289.08475	1.2
293.11731	2.0
294.08722	1.4
309.11209	4.5
311.12817	0.9
321.11108	2.1
326.19754	0.7
327.12344	1.0
339.12286	8.7
341.13675	4.5
345.13144	1.1
353.13773	1.5
359.14804	2.6
371.14978	9.9
389.15936	45.9
390.16342	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.4
59.62959	0.8
67.05491	0.9
70.31174	4.4
79.05479	1.0
81.07030	1.1
84.04489	0.9
85.02915	0.9
86.09716	1.9
91.05455	1.2
95.04967	2.0
95.08613	1.0
100.57817	0.7
103.05460	3.8
107.04980	1.9
108.04507	1.3
111.44907	0.8
119.04899	0.8
121.06489	1.5
123.04420	0.9
125.05949	0.9
129.06943	1.1
131.04883	4.4
135.04477	1.0
136.09846	1.0
137.05977	5.3
138.06317	2.2
139.03912	5.0
141.07054	1.1
143.08516	1.1
146.05997	1.3
147.04340	1.2
148.07600	1.0
149.05980	1.2
151.03900	6.3
153.05438	0.8
158.09566	1.1
161.05925	1.1
162.05351	0.8
163.03856	1.4
163.07527	3.7
167.07059	3.1
170.08348	0.9
175.07513	7.9
176.79553	1.0
177.05472	2.1
181.04959	6.4
182.09766	1.1
184.09877	1.4
185.06972	0.9
185.10764	2.3
189.06834	1.1
189.10210	1.6
195.10297	1.1
196.09929	0.9
198.07851	3.9
199.08672	15.9
199.12251	1.1
200.09288	1.9
207.06418	1.8
209.08073	2.6
209.10745	2.7
210.09232	1.1
211.08545	2.0
212.09357	5.0
213.06627	5.4
213.10187	15.9
214.07326	2.6
215.08260	2.3
219.10103	4.6
221.11703	3.1
223.08636	1.1
224.09521	0.9
225.10223	1.6
226.07195	1.6
226.10951	1.4
227.08220	16.3
227.11722	10.0
228.08870	3.2
229.06073	1.1
229.09654	4.5
237.10249	4.0
238.08554	1.2
239.08080	2.0
239.11711	1.9
240.08653	6.3
241.06161	5.2
241.09708	35.8
242.10310	2.0
243.11269	3.0
245.12868	9.5
253.09702	1.4
254.10533	1.7
255.07852	4.3
255.11270	42.6
256.08130	1.0
256.11603	2.1
257.09244	5.4
259.10791	1.7
265.09622	3.8
266.10303	0.9
267.11304	2.1
269.09171	13.0
270.09729	2.7
273.12225	6.0
283.10745	49.1
284.11066	2.0
293.09082	1.1
295.10782	8.1
297.08667	2.1
300.11050	2.1
301.08466	1.5
301.11783	6.3
309.11234	0.9
311.10245	26.6
311.13275	0.9
312.10648	1.6
313.11816	9.7
319.08017	2.0
329.11292	100.0
330.11557	6.0
339.09256	4.3
357.10776	55.9
358.11087	3.0
375.11816	1.4
389.13306	21.0
390.13782	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26003	2.7
55.01864	13.3
55.05492	4.2
59.92576	2.9
62.51771	2.7
65.03922	9.1
65.38118	2.5
67.05486	10.0
70.28028	11.0
71.04974	11.2
72.09381	2.5
79.05476	9.8
81.03426	2.8
81.07032	11.9
82.04187	2.9
83.08577	3.3
85.02895	3.9
85.06542	5.6
91.05483	8.6
93.07033	8.2
94.04173	3.4
95.04955	5.8
95.08601	10.4
97.06514	12.3
97.77594	2.5
103.05451	4.2
103.22676	2.5
105.07008	12.2
107.04924	5.6
107.08586	16.5
109.06468	4.0
110.03658	4.6
111.04470	3.4
111.08018	5.5
115.05418	3.7
117.07012	3.1
119.08559	9.2
121.06481	3.7
121.10134	22.9
122.03635	5.6
123.04437	5.1
129.06978	3.9
131.04926	9.2
131.08542	7.0
133.10120	74.1
135.08026	11.4
137.05962	100.0
138.06308	40.2
139.03877	12.7
143.04900	3.5
145.06412	4.8
145.10066	5.7
147.04359	4.6
147.11696	11.2
149.05975	3.9
149.13258	11.7
151.03912	6.1
151.07568	5.7
153.05421	4.9
156.64140	2.7
157.06462	3.3
158.10916	5.4
161.05923	9.2
163.03842	3.0
163.07513	4.4
167.07016	20.5
167.08466	5.9
168.07449	4.3
171.06503	4.1
173.05998	4.9
173.13191	16.3
174.06433	3.2
175.07500	13.3
177.05475	13.1
181.04926	41.5
182.05292	7.2
183.06523	6.0
189.09113	7.1
191.14288	60.8
195.10213	3.2
203.06950	6.2
205.08653	3.3
209.08025	19.7
217.08577	4.6
219.10126	19.5
223.07578	3.5
237.09102	3.9
247.07478	4.1
253.08623	4.3
255.09955	3.7
265.08524	3.6
277.08401	3.7
282.81604	2.9
283.09558	4.0
297.11353	3.1
313.10757	4.3
313.14258	3.7
315.12274	4.6
319.28690	2.9
325.10535	6.5
326.11078	4.3
327.12222	9.2
339.12256	5.8
357.13196	9.9
358.13626	19.9
359.14691	9.8
371.15015	6.2
378.97980	2.7
388.14728	34.4
389.15866	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.5
53.53906	1.5
55.05503	4.7
56.44751	1.5
57.07077	2.8
59.50069	1.4
67.01856	3.8
67.05496	12.3
69.07079	7.9
69.07377	1.7
69.52454	13.1
79.05480	3.4
81.07050	28.2
83.08619	6.4
91.05536	2.2
91.88541	1.4
93.07040	2.9
95.08599	36.9
97.10159	2.0
98.21413	3.3
105.06999	2.2
107.04941	31.1
107.08592	2.4
109.10147	19.6
119.08561	1.6
120.74689	1.7
121.06509	4.2
121.10152	2.4
123.11710	13.4
133.06485	3.9
135.04401	89.5
136.04861	1.6
137.05954	8.5
137.13263	13.4
143.08565	1.6
147.07979	2.6
149.06003	8.4
151.07549	2.4
153.05457	14.5
161.05952	13.0
163.03896	100.0
163.07541	7.5
164.04251	3.6
175.07533	12.9
177.05525	8.2
177.09143	6.5
177.16428	1.5
189.05499	6.3
189.09077	13.4
191.10635	3.2
195.06529	46.1
203.07050	5.5
203.10619	7.9
209.08109	4.1
217.08580	7.0
217.12254	4.9
221.08119	3.2
231.10233	3.1
231.13786	5.6
235.09633	7.2
243.13669	2.2
245.11818	2.3
245.15349	2.2
249.11133	8.5
257.11533	2.0
270.77548	1.8
271.17068	3.3
285.14841	3.6
299.16492	1.9
327.23154	23.7
355.18646	2.7
355.22650	21.3
356.22955	1.7
372.43854	1.8
387.25241	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	387.201
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
53.03926	6.4
57.03423	5.6
57.07074	3.3
58.95395	2.8
60.91703	2.8
67.05493	14.2
69.03421	23.6
69.07049	4.7
70.69464	9.9
71.04971	4.2
81.03414	7.5
81.07047	21.2
83.04994	3.5
85.02897	100.0
85.06525	3.8
86.09672	9.6
91.05449	5.0
93.07041	5.4
95.08599	33.6
97.02882	9.7
99.04464	4.6
100.40340	2.5
105.07008	16.5
107.08572	7.9
109.02863	6.3
109.06525	4.2
109.10149	37.0
113.06010	3.9
119.08600	18.7
121.10117	10.2
123.08067	11.9
123.11695	97.3
125.05974	24.5
127.03893	19.0
131.08546	4.6
131.29623	2.9
135.11671	5.2
137.05885	3.2
137.09642	2.9
139.07497	3.2
145.04915	3.7
145.10100	4.9
147.08035	4.3
147.11656	15.3
149.09605	20.0
151.07552	13.9
161.13290	4.9
165.12714	5.2
167.07048	7.4
167.10696	5.1
171.11682	2.8
189.12758	16.1
207.13802	89.9
225.14882	26.6
282.65158	2.8
293.21915	3.2
333.17044	20.9
351.17929	36.6
369.18979	11.7
387.20087	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	387.1281
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03933	0.4
55.01865	0.3
69.03387	0.3
70.06605	0.3
70.29391	0.7
72.08146	0.3
77.42531	0.2
78.04704	1.9
78.10304	0.2
79.05482	1.2
81.07047	0.8
83.42384	0.2
84.04491	0.4
85.02884	0.9
91.05456	1.1
93.07037	0.5
95.01309	1.7
95.04957	0.5
103.05453	0.7
105.07011	1.1
106.04150	0.8
107.04937	1.5
121.06499	0.9
123.04422	4.7
124.05186	2.0
129.01842	0.3
133.06422	1.1
134.03629	0.3
135.04408	0.2
137.05943	0.5
139.03934	0.2
141.01816	0.5
142.04964	0.3
147.04466	0.2
149.04938	0.3
149.05925	1.3
151.03883	1.1
152.04680	1.8
161.05995	1.1
163.06065	0.2
165.05495	0.4
166.06285	0.4
167.07022	100.0
168.07347	1.8
172.07605	0.2
177.03885	0.3
179.07054	0.3
181.08586	2.1
193.08588	3.4
210.11201	0.8
211.09648	2.8
217.79674	0.3
387.16373	0.6
388.15283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.7
57.03426	22.8
59.04974	3.6
60.04519	23.5
61.02915	7.6
68.99783	3.8
69.03423	73.8
69.75424	26.3
70.67624	3.5
72.54373	4.0
73.02912	7.5
73.75668	3.7
81.03407	5.6
84.04521	5.8
85.02410	5.2
85.02901	100.0
87.04463	43.0
95.04943	3.5
97.02885	60.2
99.04435	4.0
102.05505	5.8
107.04951	18.4
109.02862	8.4
115.03918	60.5
117.07034	4.1
119.04929	10.3
123.04422	9.2
127.03931	24.1
133.04951	86.7
133.06467	6.3
135.04402	12.1
139.03847	6.4
145.04956	37.6
145.06447	9.1
146.05943	3.8
147.03362	4.0
147.04382	21.6
149.08331	17.8
150.07623	8.3
153.01865	4.1
160.07541	4.7
161.06013	5.5
162.09143	7.6
163.05997	18.1
167.07047	63.9
171.04436	5.1
181.05017	6.3
188.07153	6.8
192.07083	3.8
206.08121	19.6
224.09207	15.7
253.13197	5.7
277.09097	4.5
289.47052	3.7
348.63376	3.9
355.65030	4.3
386.14410	8.2
387.16492	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	386.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
56.05023	7.1
60.04520	62.7
61.02891	3.8
69.03416	15.1
70.06559	3.4
70.19762	8.7
70.20169	7.8
71.04964	4.3
73.02899	7.4
79.05479	3.6
81.11695	3.5
84.04491	6.6
85.02906	35.4
91.05482	21.5
96.04517	4.2
97.02877	14.8
98.21368	6.1
99.40895	3.3
102.05519	18.9
103.05450	7.3
105.07020	4.4
107.04256	6.0
107.04948	100.0
114.70158	3.2
115.05409	6.7
117.06992	14.7
119.04926	34.9
120.05164	3.4
121.06457	6.0
123.04410	13.8
127.03888	5.7
132.08066	6.8
133.05022	5.7
133.06535	8.2
135.04401	66.6
139.03853	12.2
145.02824	3.4
145.04994	6.3
145.06474	61.1
146.05986	11.6
146.82286	3.7
147.04404	33.5
147.06732	3.4
148.07558	15.1
149.08347	98.9
150.09079	5.2
151.96553	3.2
155.06032	3.5
160.07571	37.1
160.12737	3.4
161.05957	13.3
162.09128	57.4
163.03934	25.6
164.06984	6.6
165.05446	11.4
167.07007	28.6
171.04376	8.2
178.08571	6.6
181.04947	22.6
188.07039	42.8
189.05403	14.9
206.08112	89.5
207.06554	9.9
224.09163	61.7
324.14325	14.6
368.13303	16.5
374.81119	3.5
386.14450	38.8
400.57877	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	385.2556
Annotation	Pro Arg Leu
Peak:m/z	Relative Intensity
51.64922	0.5
53.29728	0.5
55.01851	0.6
55.05498	0.9
57.39009	0.5
64.76845	0.6
65.03921	0.5
67.05494	2.2
69.03421	0.6
69.07076	1.0
69.83247	0.5
70.53008	1.7
79.05489	1.5
81.03424	0.8
81.07050	2.4
83.08582	0.5
85.02909	0.8
91.05475	2.1
93.07023	0.9
95.04939	1.2
95.08611	1.2
105.07030	1.3
107.04986	0.7
107.08582	1.1
109.10136	0.5
117.07061	0.7
119.08556	0.7
119.89079	0.5
121.10143	0.5
125.89050	0.5
129.07047	0.7
133.10109	1.1
137.06020	0.6
139.03906	0.9
145.10106	0.5
149.09552	0.6
161.09636	0.8
167.07005	0.8
167.11526	0.5
179.08441	0.5
181.05038	0.5
196.41762	0.6
225.09213	0.6
235.07526	0.7
253.08691	0.7
293.19821	0.5
307.09735	1.0
311.20618	0.9
323.09140	0.7
329.21609	0.9
355.11795	0.7
357.13364	1.0
367.22772	1.1
385.12836	4.2
385.25610	100.0
386.13312	0.7
386.25946	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	386.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36668	5.1
60.04521	100.0
67.93425	5.3
69.03415	19.2
70.06567	6.2
71.69410	5.9
71.69748	5.3
73.02895	9.0
79.05484	6.7
80.48730	4.8
84.04469	11.6
84.51012	5.5
85.02911	30.7
87.04420	7.0
91.05465	19.3
95.04954	7.3
97.02882	15.3
102.05535	20.1
105.07008	8.4
107.04950	87.6
111.04447	5.3
119.04928	37.0
123.04421	12.5
133.06474	13.1
134.47664	5.8
135.04414	66.0
137.05940	8.3
139.03943	11.2
142.80200	5.0
145.04964	6.8
145.05257	7.1
145.06474	59.8
146.05988	15.1
147.04401	45.1
147.06760	5.8
148.07533	11.9
149.08348	96.3
160.07549	24.4
161.05960	16.7
162.09119	50.3
163.03886	20.4
165.05447	11.8
165.89264	5.3
167.07039	48.5
171.04402	6.3
178.08690	6.8
181.04965	34.2
188.07095	40.9
189.05426	10.0
197.85545	5.5
206.08090	78.6
207.06497	8.7
208.99010	5.4
211.36038	5.8
217.00636	5.6
224.09169	79.1
324.14420	10.0
325.77777	5.3
368.13123	18.8
386.14398	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1642
Annotation	Schizandrin C
Peak:m/z	Relative Intensity
55.05500	3.4
67.05482	5.6
69.65258	18.4
71.04993	2.8
75.04465	7.3
79.05468	4.1
81.07072	2.3
85.06526	4.2
97.06479	2.6
101.42992	2.2
109.41578	2.3
137.09621	2.1
138.06931	2.3
145.06512	3.0
147.22623	2.1
155.16174	2.3
165.07007	5.7
167.08533	2.8
168.07823	3.5
173.05988	2.4
179.08557	3.5
181.06390	4.7
181.08618	3.2
182.07236	3.0
189.06947	2.7
190.21094	2.5
191.08507	3.7
193.04985	3.7
193.10110	2.5
195.08086	4.6
197.05984	6.5
198.06758	6.0
199.07484	3.3
202.07693	4.2
203.08612	5.5
204.09286	2.4
205.06572	4.3
205.10133	3.5
207.08130	3.5
209.06000	3.7
210.06754	3.3
211.03987	3.7
211.07555	5.4
212.04652	3.3
213.05513	6.1
214.06181	5.6
215.08569	7.4
216.09404	2.5
218.07243	6.1
219.08040	7.6
220.08813	2.4
221.05977	6.6
221.09572	6.8
222.06696	3.0
223.07565	6.8
224.08221	3.2
225.05412	5.7
226.06190	14.2
227.06981	7.0
228.07796	3.3
229.04930	4.0
231.08022	6.1
232.08759	5.8
233.05995	4.4
233.09671	11.1
234.06746	6.3
234.10281	3.5
235.07457	14.5
236.08194	4.0
237.05417	5.9
237.09061	8.8
238.06290	5.5
239.07114	5.3
240.07930	11.2
241.08521	4.3
242.05725	8.1
243.06396	7.3
243.08388	4.2
245.09631	5.0
247.07544	6.7
247.11134	5.2
248.08376	6.1
249.05594	4.4
249.09106	21.0
249.12711	2.4
249.94913	2.3
250.06270	4.2
250.09738	7.0
251.06979	12.2
251.10571	7.2
252.07741	4.7
253.08554	8.8
254.05775	10.1
255.06308	10.4
256.07227	6.1
257.04410	5.3
257.07996	15.9
260.08249	6.7
261.09106	19.3
262.06134	3.9
262.09894	5.5
263.06982	14.6
263.10663	8.0
264.07739	5.8
264.11465	5.6
265.08569	20.8
265.12192	8.2
266.05814	2.8
266.09317	7.0
267.06500	5.4
267.10129	6.2
268.07217	13.5
269.08096	8.7
270.08902	8.1
271.06055	5.1
271.09598	7.5
272.06775	6.2
273.09348	4.6
275.10693	13.4
276.07925	3.0
276.11227	3.2
277.08603	19.7
277.11395	3.4
278.09311	13.4
279.06433	8.0
279.10123	19.3
279.13300	4.5
280.07184	3.8
280.10776	4.9
281.08093	11.0
281.11435	4.3
282.08829	6.8
283.09665	17.4
284.10391	3.5
285.07544	4.9
285.10736	2.9
286.08240	17.3
287.09009	43.2
289.08511	6.7
289.12198	5.3
290.09381	4.0
291.10071	14.0
292.07367	2.9
292.10602	3.3
293.08432	4.1
293.11615	30.2
294.08807	7.2
294.12363	10.4
295.09677	12.4
295.13181	5.4
296.10443	11.3
297.07867	4.5
297.11200	8.5
300.10007	2.7
301.10773	27.3
303.10233	14.4
304.10873	11.3
305.08200	3.3
305.11603	5.5
306.08859	3.2
306.12305	2.3
307.09634	11.5
307.13297	16.6
308.10580	3.9
308.13998	8.5
309.11212	12.6
310.11945	8.2
310.79733	2.5
311.09100	2.9
311.12726	7.4
315.12280	3.9
317.11771	12.7
318.12564	8.5
320.10416	4.0
321.11188	18.4
322.11899	11.7
323.12610	7.9
324.13544	4.0
325.14322	11.9
326.14819	3.6
327.12494	3.5
334.11957	3.5
335.12802	15.9
336.13589	17.4
337.14069	4.1
338.11435	4.5
339.12286	5.3
339.15973	3.0
341.13928	4.7
349.14261	15.3
352.13013	3.7
353.13821	41.7
354.14508	30.2
361.02371	10.0
367.15448	31.9
370.14166	5.5
379.03308	3.5
385.16434	100.0
385.23837	5.2
386.16763	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	385.1278
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
52.38275	0.7
55.01867	2.6
55.05498	0.8
59.78918	0.7
60.35979	0.6
65.03923	1.8
67.05492	1.2
79.05474	1.2
81.07042	0.9
81.26926	0.7
85.79700	0.6
86.40906	0.6
91.05458	2.2
93.07036	1.0
95.08602	0.6
97.16792	0.7
98.21503	1.5
100.11192	0.6
102.68417	0.7
103.05470	1.1
107.08545	0.7
109.06460	0.8
110.03652	1.5
111.04426	1.1
115.05409	1.1
117.07029	0.7
119.04949	1.0
119.08554	0.9
121.02852	0.9
125.05968	2.1
131.04900	1.3
137.05931	1.1
143.08559	0.8
145.06459	1.6
146.36934	0.7
149.02344	1.0
151.03909	1.2
152.06189	1.1
153.05447	2.7
153.06943	1.2
158.07242	1.1
159.08051	0.9
161.05928	1.0
163.03905	1.1
165.05635	1.0
165.06946	4.9
166.07756	1.4
167.08507	1.4
168.05661	1.1
177.06931	1.0
178.07776	2.8
179.03375	0.8
179.08546	3.0
181.05002	1.0
181.06558	1.8
181.10051	0.8
182.07253	0.9
183.08008	1.1
185.05948	1.4
189.07007	1.8
189.08966	0.8
190.07796	1.7
191.08553	2.3
192.09305	0.7
193.06517	1.4
193.10211	0.9
194.07283	2.5
195.08083	3.6
197.05882	1.4
197.09590	0.9
198.06770	1.0
199.07574	0.8
202.07788	1.2
203.08585	1.4
205.06468	1.8
206.07140	1.5
207.08051	4.2
208.08888	1.3
209.05890	1.2
209.09634	1.1
210.06808	1.3
211.07578	2.4
213.09041	0.9
218.07298	2.7
219.08026	3.4
220.05234	1.2
220.08826	2.0
221.05984	3.1
221.09540	1.5
222.06702	3.3
223.07591	3.6
224.08293	2.0
225.09091	2.1
231.08133	1.8
232.08806	0.7
233.09613	1.7
234.06787	2.7
235.07506	7.2
236.08350	4.3
237.09158	3.8
238.06326	1.7
239.06998	2.5
239.10770	0.8
241.08521	1.2
246.06686	1.0
247.07545	5.1
248.08252	3.1
249.05489	1.9
249.09090	3.7
250.06206	2.3
250.09845	1.6
251.06995	3.9
251.10719	1.3
252.07762	2.2
253.08583	3.4
254.09482	1.0
255.10088	1.5
261.09091	1.8
262.06329	1.4
263.07092	4.2
263.10419	0.7
264.07730	3.8
265.08566	6.1
266.05606	0.8
266.09305	1.9
267.06799	1.0
267.10175	3.7
268.07315	0.9
268.11084	0.8
269.08124	0.9
274.06351	1.0
275.07013	1.5
276.07935	1.6
277.08597	2.7
278.09354	2.5
279.06451	1.8
279.10147	4.9
280.07385	0.9
281.08115	3.8
281.11316	0.9
282.08820	1.8
283.09595	1.7
289.08533	1.0
291.10175	1.3
292.07220	1.7
293.08078	3.0
293.11581	1.3
294.08920	1.9
295.09610	3.0
297.11227	1.3
299.09146	1.4
305.08124	0.8
306.08832	1.1
307.09619	25.4
308.10065	1.9
309.11008	3.3
310.08371	0.8
311.09277	1.0
312.09723	0.8
313.10812	1.6
323.09067	6.1
324.09875	1.4
325.10721	4.9
329.13809	1.0
335.09085	0.9
337.10687	1.7
339.12274	3.2
353.10342	1.3
355.11728	1.5
357.13208	2.4
367.11749	1.6
385.12790	100.0
386.13040	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	384.122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03436	0.3
62.22467	0.2
69.03419	0.3
71.47224	0.2
85.02916	0.3
85.04005	0.7
86.21707	0.3
91.05461	0.5
97.01115	0.3
99.02665	0.6
99.05564	0.7
101.67418	0.3
103.05489	0.3
117.05755	0.3
118.06561	0.4
130.06485	0.6
131.04587	0.4
132.08078	1.1
133.08846	0.8
134.09566	0.4
136.02174	0.4
136.07545	0.7
137.05969	0.3
145.06108	0.4
154.03242	0.3
156.04747	1.0
158.06030	0.4
162.05484	0.8
162.09090	1.4
164.03949	0.3
164.05278	4.7
166.06833	0.4
175.08658	0.5
176.06952	0.6
177.03278	0.5
177.07848	1.9
180.04776	0.7
180.10011	0.3
182.02718	0.8
182.06390	1.3
185.08376	0.4
187.07596	0.3
192.04773	0.7
193.05554	1.5
194.06329	0.8
204.10260	0.3
207.08934	0.9
208.07950	0.3
208.09666	4.3
210.03796	0.4
210.05820	7.3
211.06145	0.4
218.06314	1.2
221.09233	0.8
238.05307	100.0
239.05618	2.4
240.06876	10.0
246.05917	0.4
263.08414	2.6
264.06857	1.0
281.09579	3.7
292.06421	1.0
319.16818	0.3
366.11154	9.0
367.09357	5.5
368.09717	0.3
384.12213	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	385.1278
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03935	0.8
55.01854	1.7
55.05516	2.1
57.03412	0.7
65.03919	1.6
67.05491	2.7
69.03419	0.7
69.07046	0.7
71.04963	0.7
71.73062	0.7
79.05494	2.7
81.03410	2.5
81.07046	3.1
83.04952	0.5
83.08611	1.1
85.02899	1.5
91.05470	3.2
93.03384	0.9
93.07018	1.6
95.04938	1.8
95.08589	1.3
97.06500	0.8
97.10156	1.1
100.99994	0.4
105.03389	0.4
105.07008	2.1
107.04939	1.6
107.08581	1.2
109.10135	1.0
110.03662	1.0
111.04424	1.7
115.05446	1.3
117.07005	1.5
119.08553	1.2
121.02818	1.1
121.06480	1.7
121.10143	1.0
123.04419	1.2
123.08066	0.5
125.05961	1.6
125.09589	0.9
128.06216	1.0
129.06981	1.5
131.04881	1.5
131.08504	1.1
133.06471	1.2
133.10083	0.8
135.04318	0.6
135.08109	0.5
137.05960	0.9
139.03862	0.9
141.06961	0.6
143.08583	0.5
144.05670	0.5
145.06441	2.3
145.10121	1.0
147.07994	1.1
149.02353	1.4
149.09599	0.8
151.03915	1.2
151.07481	0.5
152.06203	1.1
153.05473	2.1
153.06874	0.9
155.04938	0.4
155.08528	0.9
157.06572	0.8
157.10107	0.6
158.07191	0.5
159.04388	0.6
159.08051	1.3
159.11702	0.6
161.05927	1.2
161.09599	0.6
163.03934	0.7
165.06973	3.9
166.07785	0.8
167.08556	1.7
168.05742	0.8
169.06502	0.6
169.10130	0.8
171.07965	0.5
175.07526	0.7
175.11143	0.7
178.07733	2.9
179.08530	2.0
180.09303	0.5
181.05022	0.7
181.06450	2.5
181.10060	0.7
182.07301	1.0
183.04463	0.5
183.07964	1.2
184.08800	0.5
185.05952	0.7
185.09592	0.5
187.07564	0.6
189.06999	1.6
189.09030	0.4
190.07751	2.4
191.08536	2.5
192.05750	0.5
193.04938	1.3
193.06526	1.1
193.10455	0.4
193.12234	8.5
194.07237	1.8
195.08060	2.2
196.05222	0.7
196.08870	0.6
197.06021	1.2
197.09622	0.7
198.06657	0.4
199.07442	0.7
199.11211	0.9
202.07779	1.5
203.08556	1.5
205.06471	3.3
206.07347	2.4
207.08038	3.5
208.08806	1.6
209.05916	1.2
209.09567	1.5
210.06746	1.2
211.07489	2.5
213.09055	0.7
215.08705	0.5
215.14424	0.9
218.07202	2.8
219.08078	4.0
220.05266	0.7
220.08748	1.4
221.05981	2.8
221.09564	1.6
222.06769	2.7
223.07465	3.7
223.11072	0.6
224.08250	2.4
225.09042	2.8
226.06277	0.9
227.07063	0.7
231.08047	1.6
232.08826	1.0
233.05922	1.4
233.09654	1.3
234.06732	2.4
235.07507	7.1
235.11176	0.5
236.04633	0.8
236.08282	3.4
237.05438	1.0
237.09061	3.6
237.12654	0.6
238.06262	1.6
238.09857	0.7
239.06992	2.4
239.10693	1.2
240.07840	1.5
241.08606	1.0
242.09332	0.5
243.13953	0.5
245.15334	0.8
246.06720	1.4
247.07454	4.2
248.08311	2.2
249.05467	1.5
249.09077	3.5
250.06226	1.6
250.09880	1.2
251.07013	4.8
251.10657	1.2
252.07797	2.3
253.08604	4.4
254.05829	0.5
254.09317	1.1
255.10147	0.9
260.08353	0.9
261.09097	1.8
262.06253	0.6
263.06949	3.3
264.07764	4.2
265.05563	0.7
265.08572	4.9
266.09296	1.2
267.06540	1.5
267.10126	3.4
268.07245	0.8
269.08136	0.6
271.09650	0.5
273.14841	0.6
274.06171	1.3
275.07098	1.2
276.07776	1.9
277.08643	3.1
278.09311	1.8
279.06805	0.9
279.10150	4.1
280.07401	1.0
281.08121	3.6
282.08902	1.4
283.09665	1.4
289.08432	0.5
291.06650	0.9
291.10065	1.5
292.07309	1.1
293.08112	2.1
293.11465	0.6
294.08865	1.3
295.09613	3.8
296.10330	0.6
297.11176	1.5
299.09314	0.6
305.08124	0.8
306.08752	0.5
307.09628	25.3
308.10138	1.9
309.07849	0.8
309.11200	3.3
310.08316	0.9
313.10614	1.5
319.09433	0.8
321.11230	0.7
323.09119	6.0
324.09790	1.3
325.10718	4.2
327.12280	0.6
329.13724	0.7
335.09259	0.6
337.10638	2.1
338.11395	0.9
339.12244	3.0
339.23215	0.9
341.10107	0.6
349.21683	1.4
353.10199	1.0
355.11905	1.5
357.13229	1.6
357.24307	0.8
367.11862	1.6
367.22583	3.2
370.10516	0.7
385.12799	100.0
385.23474	16.3
386.13116	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.6
55.05489	12.3
57.07062	11.1
59.04984	5.7
59.70089	3.8
66.76969	3.7
67.05501	57.5
69.03413	17.7
69.07058	10.4
71.04989	8.2
71.72336	4.6
79.05483	35.7
81.07049	44.9
83.04954	8.8
85.06509	7.5
91.05477	46.3
91.19579	3.7
93.07039	98.5
95.04947	26.3
95.08595	45.4
97.06521	12.6
103.05457	6.6
105.07032	72.6
107.08591	33.6
109.06498	27.3
109.10142	36.5
111.08057	12.7
114.18377	3.8
115.05464	5.0
116.06223	5.9
117.07001	12.4
119.08580	66.1
121.06538	18.0
121.10148	46.1
123.08055	26.0
128.06213	10.0
129.06978	15.1
130.07802	4.3
131.04897	8.4
131.08534	27.7
132.43501	3.9
133.06462	11.6
133.10138	32.4
135.08072	28.5
135.11702	6.3
137.05934	5.3
137.09576	11.1
142.07784	17.6
143.08565	24.2
145.10097	39.0
147.08043	34.7
147.11679	16.3
148.08786	4.4
149.09612	21.4
151.07518	45.4
153.09074	8.1
155.08495	11.0
156.09299	11.1
157.10121	45.1
159.08072	5.5
159.11670	21.2
160.08791	4.0
161.09625	27.7
161.13246	12.8
163.11168	9.2
165.09106	51.8
169.10182	5.4
170.10939	5.3
171.11664	8.7
173.09604	10.0
173.11798	6.9
173.13235	8.9
175.11162	22.0
175.14806	10.9
177.09094	11.7
185.13234	23.6
187.11134	7.1
187.14862	5.2
189.00842	3.5
189.12866	8.0
191.14449	4.5
195.06595	6.2
195.11534	4.9
197.13159	3.6
199.14746	4.1
201.12746	10.1
203.14294	36.1
207.13765	13.1
209.13318	3.5
213.12648	6.1
215.14316	6.6
217.12222	5.0
219.13774	3.8
221.15344	100.0
223.14857	4.1
225.12695	4.5
233.15422	4.3
234.16130	9.2
253.15680	3.9
265.15762	5.0
266.30002	3.9
281.18903	3.8
287.20068	7.8
299.12753	7.6
299.20065	6.6
303.19455	10.3
347.23779	5.2
365.24869	8.8
383.25705	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.31093	2.2
53.03941	6.2
55.05515	16.1
57.03426	5.6
57.07070	14.6
59.05000	8.5
59.60910	2.0
60.32550	2.1
65.03918	2.4
67.05499	45.1
67.30861	2.1
69.03425	16.6
69.07057	10.1
69.57648	21.0
71.04978	7.7
79.05486	32.6
81.07045	33.2
83.04979	7.0
83.08620	3.2
85.06565	4.2
90.44341	2.1
91.05472	50.8
93.07034	100.0
95.04954	30.3
95.08596	42.6
97.06544	12.5
97.10184	2.7
98.22141	2.6
105.07018	82.2
106.07362	3.1
107.04926	3.0
107.08583	41.7
109.06502	26.6
109.10135	25.9
111.08068	7.9
116.06243	2.6
117.07030	10.6
119.04973	2.8
119.06083	2.8
119.08569	55.3
121.06503	16.2
121.10130	48.4
123.08056	33.6
123.11664	2.3
125.06039	3.3
128.06221	8.2
129.07005	13.7
130.07785	4.4
131.08557	28.0
133.06499	10.8
133.10127	30.4
135.08057	27.8
135.11697	3.7
137.05997	4.2
137.09579	12.1
141.07007	5.8
142.07762	19.6
143.08540	25.4
144.09344	5.4
145.06474	4.7
145.10109	34.4
147.08043	32.5
147.11700	16.1
148.08842	5.5
149.09602	23.2
149.13133	3.7
151.07533	39.7
153.05392	2.6
155.08585	6.1
156.09340	7.1
157.10109	40.5
158.10800	3.2
159.08067	10.3
159.11705	16.9
160.08829	2.7
161.09581	18.3
161.13274	10.3
163.11244	11.1
165.09109	42.6
166.07843	2.4
169.10080	6.1
170.10899	7.3
171.11676	9.1
173.09602	9.3
173.11852	4.4
173.13268	9.4
175.11150	20.6
175.14835	8.1
177.09114	13.1
183.11737	6.7
185.13240	15.5
187.11177	6.7
187.14777	5.9
189.12737	11.9
193.10126	5.2
194.10858	2.7
195.11731	4.3
197.13274	5.7
199.11282	4.3
201.12787	9.5
203.10773	2.7
203.14275	33.3
207.11914	4.8
207.13847	14.1
209.13301	4.7
209.15277	5.3
211.11378	4.3
213.12758	4.5
215.14359	6.3
216.15175	4.2
219.13794	7.7
221.15338	87.2
222.15698	3.9
227.14301	4.2
233.15482	5.7
234.16153	16.2
241.15944	3.3
243.13890	3.5
253.15689	2.7
263.17850	3.1
281.18906	4.2
286.19144	4.4
287.20172	6.9
299.20062	5.5
303.19583	5.8
305.52405	2.4
347.23541	3.4
365.24677	10.2
383.25790	65.1
384.26004	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62894	2.4
53.03944	7.2
55.01861	3.4
55.05502	20.5
57.03421	4.9
57.07063	11.8
59.04992	7.7
59.52756	2.3
59.53062	2.5
65.03912	3.3
67.05499	38.1
69.03430	15.9
69.07060	9.9
70.78365	9.4
71.04977	8.1
79.05481	30.6
81.03400	2.9
81.06565	3.9
81.07044	46.2
83.04955	8.1
83.08614	3.7
85.06532	5.6
91.05472	50.8
93.07040	97.0
95.04965	34.8
95.08595	42.9
96.62392	2.5
97.06487	13.7
103.05469	3.6
105.07020	84.2
107.08594	47.5
108.82587	2.8
109.06528	24.4
109.10154	27.9
110.08486	2.4
110.96002	2.4
111.08058	10.0
112.45776	2.6
115.05434	3.4
115.30254	3.5
117.07030	12.2
119.08575	58.0
121.06465	15.6
121.10130	44.0
123.08051	33.1
123.11676	4.0
125.06037	2.6
127.97320	2.5
128.06210	6.9
129.06981	10.7
130.07750	6.5
131.04932	2.5
131.08572	35.8
133.06487	9.7
133.10129	36.8
135.08043	29.5
135.11687	7.2
137.05965	5.4
137.09583	12.2
141.06970	4.2
142.07756	22.3
143.08569	21.6
144.09293	3.8
145.10112	36.5
146.07198	5.7
147.08054	26.6
147.11668	14.9
149.09605	28.7
151.07536	41.6
153.09090	5.6
155.08527	10.9
156.09322	8.5
157.10106	37.1
159.08008	7.7
159.11655	10.7
160.08780	3.8
161.09619	18.3
161.13248	9.2
163.11153	9.0
165.09119	49.7
169.10120	5.1
170.10887	7.9
171.11687	9.5
173.09612	10.0
173.11783	4.5
173.13255	10.5
175.11179	25.8
175.14862	8.7
177.09134	9.5
178.09929	4.1
181.08578	3.0
181.10104	2.8
183.11684	7.0
185.09547	4.5
185.13202	23.1
187.11188	7.0
187.14778	3.7
189.12796	13.6
193.10172	2.9
195.11757	4.9
197.13274	4.8
199.11160	4.8
199.14824	3.7
201.12733	9.8
203.14304	37.6
207.11804	4.0
207.13777	8.8
209.13235	3.4
209.15405	4.7
213.12704	5.5
215.14201	6.2
216.15132	3.7
219.13785	8.2
221.15356	100.0
222.15776	3.8
223.14769	2.9
225.12827	3.8
227.14445	3.6
231.13806	6.5
233.15347	5.0
233.39186	3.0
234.16072	9.9
243.13702	3.2
274.19266	4.5
281.19116	4.0
286.19302	3.8
287.20044	9.8
299.20050	8.8
303.19482	10.6
309.18445	4.0
365.24817	9.9
383.25772	62.3
384.26080	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	383.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66663	3.8
53.03922	5.8
53.19017	3.6
53.30882	3.6
55.01841	5.1
55.05250	4.7
55.05504	52.6
57.03422	9.3
61.02909	10.7
66.47468	3.6
67.05492	21.9
69.03113	4.6
69.03427	53.8
69.07054	13.8
69.91178	4.2
71.04971	4.5
71.70634	6.8
73.02908	8.5
79.05476	13.6
81.03400	15.3
81.07050	33.6
83.04989	26.5
83.08598	5.4
85.02402	4.8
85.02898	69.4
87.04460	14.2
91.05462	16.7
93.07049	27.2
95.04945	14.4
95.08580	13.2
97.02895	25.6
97.06512	6.3
100.11241	10.2
105.07000	28.1
107.04956	5.5
107.08569	16.5
109.02881	11.5
109.06538	23.1
109.10125	10.0
110.09705	3.4
117.06998	7.0
119.04919	3.4
119.08569	65.3
121.06521	4.9
121.10132	25.6
123.04396	3.9
123.08015	7.5
127.03884	14.1
131.08472	5.4
133.09181	6.7
133.10117	63.2
135.08089	5.6
137.05922	6.3
137.09605	4.9
139.03893	15.2
143.04991	3.9
145.04980	7.9
145.06528	4.4
145.10132	15.5
147.08041	64.3
147.11665	8.5
155.08522	5.7
157.10083	6.4
159.11682	4.3
161.05991	6.6
161.09624	23.6
161.13258	100.0
163.03864	5.3
165.09093	21.6
170.10951	5.4
175.11221	6.7
175.14798	31.8
179.03389	5.4
185.13257	12.3
188.12018	6.3
191.14334	6.9
197.74142	4.5
203.14310	96.1
204.14653	4.8
205.15787	4.1
210.14821	7.6
218.32170	4.1
220.75394	4.6
221.15364	87.4
222.15582	4.4
247.07556	4.6
261.09305	4.7
276.07758	4.5
277.08636	4.6
305.08051	5.1
311.05594	10.8
313.47879	4.5
319.09625	4.8
322.08209	5.2
323.09033	7.8
336.01031	3.6
337.10544	8.7
339.08615	20.4
340.08746	5.6
351.08478	17.8
351.84497	3.8
374.79495	4.5
383.11142	49.8
383.15121	14.6
401.09543	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	383.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
67.05507	2.1
69.03439	0.9
69.07080	0.7
69.64471	2.5
69.64890	1.4
77.23305	0.5
79.05496	1.1
81.03416	0.9
81.07056	1.8
83.05006	0.6
83.08607	0.7
85.02921	0.7
85.06540	0.5
90.39714	0.5
90.77236	0.5
91.05470	1.4
92.82387	0.4
93.07047	1.5
93.51863	0.5
95.04972	0.6
95.08626	1.2
97.02889	0.8
105.07034	1.4
107.04974	0.8
107.08572	1.0
109.10196	1.3
111.04459	0.7
119.08616	0.9
120.50161	0.5
121.06490	0.6
121.10147	1.2
123.08048	0.8
131.08551	0.8
133.10124	1.2
135.08022	0.5
135.11713	0.7
137.05948	0.7
141.06966	0.6
145.06487	0.5
145.10094	0.5
147.11653	0.7
154.02003	0.5
157.06413	0.6
159.11740	0.6
161.13234	0.6
185.04272	1.6
189.05563	0.6
191.90691	0.5
202.07877	0.8
203.17979	0.6
205.06630	0.6
211.19357	0.5
218.07449	0.8
219.08148	2.1
220.08765	0.9
221.05959	0.6
221.11475	23.3
222.11916	0.7
229.05025	0.8
229.08632	0.9
230.07298	0.7
231.08170	1.7
233.06050	0.7
233.09613	0.8
234.06778	1.0
235.11205	0.6
239.12457	0.8
244.09061	0.6
247.07553	3.2
248.08287	2.5
249.09029	1.4
261.09216	0.9
262.09952	1.0
262.14313	1.0
263.06982	0.8
263.10742	1.3
264.07834	0.8
265.08563	1.6
273.09201	0.9
275.07193	1.9
276.07880	2.2
277.08652	1.6
278.05826	0.7
290.09485	1.3
291.10040	3.5
292.07513	0.9
293.08206	2.1
294.08734	0.6
305.08215	1.2
305.11453	0.6
307.09711	1.3
308.10513	1.7
309.10959	0.7
315.08920	0.7
318.08527	0.7
319.09750	1.7
321.07675	1.1
322.08554	1.1
323.09402	0.7
323.12775	2.7
329.10385	0.6
336.10001	1.6
337.10715	3.7
338.07742	0.9
339.08463	0.8
351.08487	1.0
351.12250	4.3
352.13104	2.4
353.06540	0.6
353.10034	2.7
368.12515	2.4
383.16800	100.0
384.17123	3.0
394.26517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
57.03412	1.9
59.00288	1.2
61.02919	3.2
69.03417	7.3
70.02967	1.2
70.75355	3.0
70.75725	1.9
73.02902	2.0
74.02439	2.7
81.03410	7.4
83.33884	1.1
85.02898	27.4
91.05473	1.3
94.06554	2.2
97.02895	9.6
97.90550	1.3
99.04431	2.0
100.04003	1.2
103.03903	2.0
106.06528	1.2
109.02885	4.5
115.03903	1.4
115.05423	1.4
117.05775	1.3
118.06526	5.0
127.03887	4.6
130.06523	59.3
132.04446	16.6
132.08083	4.8
134.06050	1.7
142.06534	1.1
143.07358	1.7
144.06956	1.8
144.08067	28.0
145.07611	18.7
145.08722	1.5
146.06012	10.0
148.07576	4.7
154.06487	4.9
156.06700	2.2
156.08083	3.6
157.07602	57.8
158.06000	44.0
158.08049	1.7
159.09126	7.8
160.07558	3.6
166.06499	1.2
169.07649	6.9
170.06001	2.2
170.08405	1.9
171.06805	1.6
171.09142	8.0
172.07547	9.8
174.05518	5.1
175.08658	53.0
176.07097	2.2
181.07553	4.0
182.06046	2.4
182.08415	2.8
183.09152	12.8
184.07524	2.8
185.07115	9.9
186.05487	3.6
186.07796	2.4
187.08604	2.3
188.07011	1.7
198.05490	2.1
199.08685	9.5
200.07051	17.3
201.10104	1.5
203.08136	100.0
204.06540	3.3
204.08440	1.9
207.09106	1.7
209.07056	8.1
211.08833	1.2
213.06514	1.6
215.08153	1.5
216.08958	3.8
217.09697	32.8
221.09184	53.1
222.09486	2.1
227.08203	12.9
228.06580	3.2
231.07654	7.1
243.07710	1.8
245.09190	27.4
257.09164	2.2
259.72891	1.1
263.10251	41.6
267.11066	1.2
269.09338	2.3
275.10278	1.4
283.10773	1.5
287.10162	1.4
299.10327	7.2
301.11856	2.0
303.43918	1.1
311.10107	1.6
329.11200	5.0
347.12332	9.3
348.10751	10.0
365.13425	29.7
383.09531	2.3
383.14401	20.7
401.69897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56632	0.3
54.98661	0.4
55.16564	0.3
56.96562	7.8
57.63433	0.3
71.35021	0.5
71.95258	1.4
81.17155	0.3
81.32830	0.3
98.97573	67.9
99.97877	0.5
109.21007	0.4
116.98612	61.9
117.98997	0.5
123.83904	0.4
134.99644	33.9
140.00175	2.2
153.00700	5.2
158.01271	2.2
159.08183	0.4
176.02316	0.4
177.00922	0.9
184.46472	0.3
191.51003	0.4
192.98766	0.4
198.97752	0.5
216.98795	1.0
219.02000	1.5
220.02127	1.0
221.01878	0.4
234.99854	3.0
236.00038	0.8
237.23866	0.4
240.98634	5.0
253.00966	0.8
258.03281	0.5
258.99762	59.2
260.00037	3.8
261.00040	0.9
261.03003	0.9
262.03159	0.6
274.97849	1.1
275.98035	0.5
277.00809	100.0
278.01019	5.5
279.01080	1.2
282.01328	2.8
282.99976	7.2
284.00092	2.9
284.99927	0.6
295.01898	1.5
298.97778	0.6
300.02390	5.8
300.97516	0.7
301.00995	13.7
302.01126	5.2
303.00848	1.7
316.98767	0.7
317.99075	0.9
318.98535	0.4
319.01981	0.6
341.02011	0.7
359.01614	3.5
359.99780	0.7
360.99988	0.4
377.02679	2.0
382.99503	1.6
401.00870	7.2
402.01291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00128	2.2
68.99783	4.1
69.66475	12.6
69.66883	5.4
81.03401	5.1
105.03357	2.1
109.02856	25.0
111.04437	2.7
123.04418	25.3
127.03911	55.6
133.02853	6.2
139.03885	49.0
147.04434	4.8
149.02336	6.0
151.03893	100.0
153.01836	3.4
155.03375	61.5
168.53923	2.6
171.04359	4.3
175.03804	3.5
179.03366	52.1
185.06020	3.1
195.51170	2.0
199.03903	4.7
201.05382	3.9
203.03375	3.9
213.05556	6.1
217.04933	4.7
227.03290	2.4
231.06377	2.5
241.04910	5.9
245.04501	5.6
256.98764	2.6
259.05997	5.2
275.05511	6.0
277.06992	19.0
287.05478	66.1
305.06500	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	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83008	6.6
68.32891	5.9
69.89538	31.9
69.89949	14.1
87.86120	9.4
127.49646	6.8
151.35095	5.9
167.59753	6.7
203.55827	6.7
381.07935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
58.81498	1.0
67.05493	1.5
67.53764	0.8
69.03413	1.3
71.70514	1.2
71.70879	1.0
72.06997	1.0
79.05464	1.6
81.03407	1.4
81.07043	1.4
84.04460	0.9
85.02882	1.0
87.66617	1.0
91.05483	9.0
93.07008	1.5
94.04177	4.3
95.04955	4.3
95.59105	0.8
103.05441	3.2
104.06274	1.8
105.07000	2.9
107.04938	2.4
107.55576	0.9
115.05423	4.9
117.06992	2.3
119.04939	2.1
119.08495	1.2
121.06477	1.7
122.03626	8.2
123.04426	5.8
128.06223	1.4
129.06985	1.3
131.04906	4.2
131.08591	1.3
132.05707	5.7
133.06477	1.5
135.04417	16.4
137.05965	100.0
138.06247	1.8
141.07030	1.3
144.05699	2.1
145.06461	3.2
145.10165	1.0
146.07257	1.6
147.08057	1.5
149.05940	1.5
151.07527	5.8
154.07745	1.3
155.08585	1.6
158.07210	1.9
159.07915	1.4
160.05191	6.0
161.05943	3.4
163.07497	2.9
169.06454	2.5
169.10123	1.1
170.07249	1.6
171.07982	1.2
173.09569	1.2
174.06714	1.4
175.07533	68.2
176.07892	1.5
181.06474	2.0
182.07152	1.0
183.08012	3.2
184.08759	1.8
185.09651	1.4
187.07498	3.9
189.09087	14.2
191.06937	1.3
195.08087	2.3
196.08832	3.8
197.06041	1.2
198.06718	1.8
199.07542	3.6
199.11137	2.2
200.08237	2.2
201.09088	6.3
211.07430	1.7
212.08319	5.0
213.09056	9.3
214.09871	3.6
215.10667	3.1
219.10150	1.4
224.08304	1.1
225.09094	4.1
226.09729	1.5
227.10651	13.8
229.12219	2.3
231.10034	1.6
238.09625	1.2
239.10652	9.2
240.11337	1.9
241.09889	0.9
241.12209	1.3
243.10173	2.0
245.11824	1.3
257.11691	12.0
309.11240	1.4
321.14755	2.3
331.13232	2.3
337.04071	1.0
349.14496	4.1
363.15948	7.3
381.13107	1.1
381.17014	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	379.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
53.08625	0.4
55.01859	0.6
55.05507	7.9
69.03436	0.6
70.68124	1.4
79.05450	0.5
79.05971	0.4
83.04974	27.8
84.05292	0.7
85.02893	1.2
91.05489	0.8
93.65855	0.4
95.04939	1.0
107.04945	67.2
108.05298	1.6
111.04434	100.0
112.04776	1.7
120.05259	0.4
121.06488	1.7
129.05487	1.2
145.10098	0.5
147.04436	1.2
149.06009	2.1
153.05452	21.0
154.05769	0.8
157.06520	0.6
171.06639	0.8
171.08072	1.6
175.03835	0.7
175.07581	1.2
192.22298	0.4
193.05008	1.5
199.07591	1.7
201.05550	0.9
213.09171	0.8
217.08607	2.0
218.94402	0.4
223.07626	1.2
241.08675	1.5
259.09747	1.3
305.07822	0.5
379.08182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01868	0.6
55.05510	8.7
65.03928	0.5
68.67962	0.4
69.03400	0.5
70.42427	1.6
70.97813	0.4
79.05472	0.6
83.04976	31.1
84.05295	0.4
85.02911	1.7
85.78506	0.4
91.95059	0.3
95.04953	0.6
97.80197	0.3
106.33160	0.4
107.04949	74.6
108.05278	1.9
109.32875	0.3
111.04437	100.0
112.04753	2.0
121.06493	2.5
127.03915	0.5
127.68314	0.3
129.05510	1.0
149.05981	1.9
153.05460	23.9
154.05873	0.4
171.06697	0.6
171.08095	1.8
175.03972	1.5
175.07558	1.0
193.04985	1.5
199.07553	1.8
213.09128	0.8
217.08612	2.3
223.07510	1.0
241.08690	1.6
259.09814	1.0
379.32654	1.1
397.37143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	6.9
57.07074	5.0
61.40129	1.3
69.70345	2.4
69.70767	8.3
79.05472	1.6
81.07062	2.3
82.32278	1.5
83.04976	4.1
83.80453	1.2
85.02891	3.2
85.06539	3.4
90.45211	1.5
91.05509	2.6
93.07044	5.6
95.08615	6.8
95.26904	1.4
95.53187	1.3
97.06539	1.8
100.11261	2.2
105.06983	4.4
106.07349	1.9
107.08581	9.1
107.75585	1.5
108.07690	1.5
109.06537	2.8
109.10142	2.9
111.04428	55.7
111.08086	1.7
122.12499	1.3
125.06005	16.5
127.07638	2.2
132.27266	1.4
135.08060	6.6
135.11697	12.0
143.09729	1.6
145.10089	9.9
153.12752	4.9
163.11186	14.2
181.12222	100.0
182.12546	3.3
198.72391	1.5
199.13269	35.2
199.16751	1.5
200.13664	1.5
228.10953	1.8
250.07281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.5
55.38556	2.7
67.01853	5.0
67.05499	2.9
69.07059	21.0
69.61621	19.7
79.05447	2.8
81.07045	8.5
82.56438	2.5
93.07048	3.2
95.08603	8.1
107.04955	18.7
109.10160	6.7
111.11697	4.4
115.71694	2.8
119.04992	2.9
121.06535	4.7
121.10114	2.8
123.11668	9.8
129.07019	3.1
135.04414	66.7
136.04817	2.9
137.05946	7.4
147.08032	6.4
148.04735	4.6
149.05988	10.8
153.05472	8.7
159.08037	3.0
161.05960	14.3
161.09636	4.1
163.03906	85.9
163.07594	4.9
171.08069	2.8
175.07526	61.6
175.08951	3.4
177.05475	9.6
177.09109	8.2
187.07547	3.0
189.05473	13.2
189.09056	13.3
191.07129	3.2
191.10651	5.1
195.06522	44.4
203.07027	40.9
203.10616	7.1
217.08572	11.9
219.10147	8.4
221.08118	8.6
231.10144	13.1
233.11705	2.8
235.09605	29.8
241.15849	5.9
249.11169	6.3
259.16959	39.3
277.10718	41.5
287.16400	100.0
288.16672	4.6
301.17984	19.2
305.17477	3.8
311.16437	4.2
313.61176	3.1
328.18930	6.1
329.17526	5.6
357.58652	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	378.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.6
57.03426	0.5
57.07068	5.1
58.82182	0.5
59.80949	0.5
60.94477	0.4
67.05524	0.8
69.07047	1.2
70.68530	0.6
71.16509	1.3
78.70664	0.5
81.07035	2.2
83.04965	3.7
85.02882	1.2
85.06545	2.6
91.05466	1.1
93.07040	4.5
95.08589	5.1
97.02867	0.7
97.06510	1.7
105.07019	1.1
107.08582	7.6
109.06490	1.2
109.10145	1.6
111.04434	49.5
111.08057	1.9
112.04765	0.8
113.05996	1.0
115.49088	0.5
119.08516	0.5
121.06494	0.8
121.10107	1.3
125.05134	0.9
125.05983	12.7
127.07526	1.8
135.08034	6.5
135.11673	11.0
137.13261	1.2
139.07501	2.3
145.10098	9.3
153.12730	3.4
162.27917	0.5
163.11166	13.5
165.38510	0.5
167.03833	0.5
181.12216	100.0
182.12552	3.3
192.18050	0.6
199.13278	37.8
200.13564	1.4
200.47806	0.5
357.11636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.6
62.43254	1.6
68.05034	9.2
69.07044	4.7
70.06580	3.3
70.15893	1.2
71.72263	2.0
73.06532	1.6
81.07042	2.8
84.04008	2.6
84.04501	52.3
85.02898	3.4
86.09697	21.5
96.04460	2.8
97.02878	1.6
97.06509	1.7
98.06071	2.1
98.09662	3.0
107.04989	1.9
110.09688	9.6
114.05514	31.6
116.07072	1.6
116.13428	1.7
130.04993	27.9
132.10193	17.3
136.11221	1.6
138.09109	11.9
140.10750	2.2
142.04988	44.4
153.01826	17.8
153.02963	2.7
154.02216	2.3
156.10199	2.9
162.02165	4.6
163.02428	1.6
169.08606	11.9
172.08711	4.6
179.03412	2.1
184.09689	68.3
185.10040	1.8
186.14827	1.6
187.08719	2.1
198.11241	17.9
200.12769	2.9
202.10701	2.2
215.08209	2.2
215.11807	3.4
229.09691	9.4
243.08768	8.9
243.11328	7.9
244.11775	23.2
261.48380	1.7
269.18524	1.7
271.10760	14.2
289.11865	11.7
290.03873	1.8
299.10226	6.5
315.19128	100.0
316.19461	6.2
317.11328	9.2
318.03525	2.0
319.04251	5.3
341.20709	4.2
343.04343	1.8
345.10773	14.2
359.21786	10.3
377.13461	25.0
378.14676	5.2
393.01291	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	377.1452
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03933	1.8
55.01866	1.2
55.89949	0.5
57.03435	8.3
59.04997	0.9
61.02919	2.8
62.40799	0.5
69.03051	0.8
69.03426	14.8
71.01344	2.2
71.04978	2.7
71.17014	1.5
73.02901	2.3
75.04471	2.2
81.03427	3.3
96.88297	0.6
99.04458	5.7
117.05503	0.8
137.05974	0.9
145.07605	2.4
170.07043	1.1
172.08688	28.5
174.10396	0.7
190.09763	1.3
198.06613	6.8
200.08200	4.0
214.09778	0.9
216.07677	17.0
218.09212	1.0
243.08768	66.4
244.07027	0.9
244.09152	1.4
285.99789	0.6
316.12964	0.7
359.13513	3.0
377.14532	100.0
378.14972	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	377.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69317	0.6
53.03946	0.7
55.01848	1.2
57.03430	1.4
61.02907	1.0
63.02436	0.7
67.05496	0.7
69.03421	1.4
69.23601	0.6
70.06586	0.7
71.04937	0.8
71.70985	0.7
71.71341	0.9
73.02901	0.8
79.05489	5.0
81.03403	1.5
83.04933	1.7
85.02895	8.7
85.36996	0.6
91.05470	42.2
92.05804	1.0
95.04955	1.8
95.08581	1.0
97.02879	3.2
103.03925	2.7
103.05441	3.5
105.07019	100.0
106.07366	2.0
107.04954	1.3
107.08572	0.9
109.02854	2.1
109.06511	0.7
111.04472	0.8
119.04954	1.7
119.08573	0.8
120.23291	0.6
121.06524	0.7
123.04389	1.1
127.03908	0.9
129.07005	1.6
131.04913	1.2
133.06468	6.1
135.04408	0.9
137.05980	1.9
141.06960	0.7
147.04401	4.9
147.08054	1.2
149.06006	1.4
151.07535	0.9
161.05980	12.4
162.83687	0.7
165.05472	1.4
173.05878	0.9
175.07547	1.9
176.04599	0.8
179.07045	5.2
186.06769	1.1
189.05505	1.0
203.07011	1.6
215.07028	0.7
215.10724	2.9
227.07086	1.3
227.10645	44.1
228.11026	2.1
239.10645	16.2
240.10922	0.6
251.10626	4.9
257.11707	23.6
263.48938	0.7
277.12292	1.2
281.11649	13.4
281.14417	1.1
282.12042	0.8
293.11838	1.8
305.11755	2.4
311.12775	1.4
323.12738	4.2
329.47400	0.7
341.13757	2.7
377.15970	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	377.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.6
62.00741	0.4
65.03937	1.4
69.03430	0.8
83.04975	19.9
84.05291	0.4
85.02922	0.5
91.05475	13.3
97.93640	0.4
111.04433	59.1
112.04688	0.5
119.04932	33.4
120.05264	0.5
127.03892	0.7
147.04395	100.0
148.04742	2.3
153.05455	15.1
154.05753	0.4
171.06499	0.7
257.08118	1.2
301.36288	0.4
377.12405	0.6
399.71875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.5
65.03934	1.0
69.03417	0.7
69.84894	0.3
71.11848	0.3
83.04974	15.5
85.02888	0.4
91.05473	10.5
99.50314	0.3
111.04432	53.3
112.04794	0.6
119.04933	25.5
127.03932	0.5
129.05457	1.0
145.57285	0.3
147.04393	100.0
148.04750	1.8
153.05453	15.8
171.06584	0.4
179.81177	0.3
192.04684	0.3
257.08008	0.9
258.46133	0.3
325.77243	0.3
339.92224	0.3
377.15625	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	377.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01850	0.3
55.05509	3.8
60.13643	0.3
64.75805	0.3
65.03931	0.9
69.03422	0.4
70.50704	0.3
70.51047	1.2
82.11917	0.3
83.04976	16.3
85.02898	0.4
91.05476	10.8
92.05682	0.3
111.04436	54.2
112.04801	0.5
119.04938	26.6
124.23154	0.3
127.03928	0.5
129.05460	0.6
133.64940	0.3
147.04399	100.0
148.04750	2.4
153.05455	19.2
160.54488	0.3
165.05444	0.3
185.70454	0.3
257.08096	1.4
377.12231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13430	0.4
52.99619	0.4
55.05502	4.5
65.03940	1.2
69.03427	0.5
69.99624	2.4
81.82355	0.4
83.04977	17.3
90.55943	0.4
91.05470	14.3
111.04433	54.2
112.04766	1.5
119.04930	32.8
120.05235	0.5
132.77936	0.5
147.04393	100.0
148.04730	2.7
153.05440	13.5
165.05426	0.4
218.06444	0.4
226.77113	0.4
254.08163	0.5
257.08054	0.8
352.57486	0.4
377.12009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15729	0.3
53.03948	0.3
55.05510	4.9
64.17442	0.3
65.03932	0.9
69.03415	0.5
69.23429	0.3
69.36220	2.9
83.04972	18.1
85.02892	0.4
91.05470	12.7
111.04434	55.3
112.04780	0.6
119.04933	29.5
127.03903	0.7
129.05443	0.7
147.04396	100.0
148.04755	1.8
152.77670	0.3
153.05450	15.2
165.05482	0.6
257.08105	0.9
346.90903	0.3
377.12219	0.7
404.59802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.0
56.32000	0.2
65.03931	1.2
66.96697	0.2
67.05490	0.2
69.03424	0.6
83.04976	16.7
85.02894	0.4
90.05723	0.2
91.05476	13.7
98.21500	0.4
99.22482	0.2
102.48116	0.2
111.04437	54.9
112.04768	0.7
116.51502	0.2
119.04935	30.2
120.05290	0.5
127.03936	0.6
129.05493	0.6
147.04401	100.0
148.04749	1.9
153.05457	16.5
154.05737	0.4
165.05492	0.6
166.98163	0.2
171.06566	0.3
189.55836	0.2
253.45448	0.2
257.08127	1.1
288.75073	0.2
290.15820	0.2
324.77710	0.2
377.12253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05503	4.2
64.31808	0.4
65.03938	1.1
69.03429	0.6
69.56136	2.8
70.88861	0.4
80.23763	0.4
83.04972	16.5
85.02898	0.3
91.05470	12.5
91.45261	0.4
93.85404	0.4
98.20741	0.9
111.04431	56.0
119.04929	27.6
127.03892	0.5
129.05469	0.6
132.79231	0.4
147.04393	100.0
148.04733	1.7
148.95670	0.4
153.05450	16.5
153.06705	0.8
181.48839	0.4
187.01308	0.4
257.07965	1.0
272.99020	0.5
377.12338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.28416	0.5
55.01859	0.8
57.03418	1.9
61.02935	3.0
69.03416	4.9
70.05193	3.0
73.02902	1.0
81.03387	1.7
81.19281	0.6
84.04475	1.7
85.02896	22.5
86.09675	1.1
87.04450	0.7
91.03922	1.5
97.02895	6.1
98.21400	0.6
99.04460	1.1
105.58215	0.5
109.02895	1.1
122.03621	0.9
127.03098	0.7
127.03874	3.4
130.05009	1.3
132.10144	0.5
137.05966	100.0
138.06320	2.6
145.04948	5.6
151.07521	1.5
168.77988	0.6
179.07019	32.3
179.10526	1.3
180.07338	1.4
180.08681	1.2
197.08083	4.9
247.11090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.8
55.01860	3.1
55.05497	5.2
58.98315	2.3
67.05491	8.5
68.99776	4.8
69.03409	7.1
69.07053	7.5
71.04941	3.0
72.21893	2.6
79.01817	4.0
79.05448	3.5
81.03408	6.3
81.07044	13.8
83.08588	7.2
85.02895	14.8
91.05457	6.1
93.07047	5.1
95.08625	20.2
96.68182	2.8
97.02876	6.8
98.61684	2.7
102.90965	2.6
105.07020	5.2
109.02841	6.0
111.04419	2.5
119.08530	5.4
120.04406	3.1
123.04389	4.2
123.08105	4.6
124.01566	3.0
125.02335	4.5
125.47721	2.9
126.51416	2.6
129.07001	3.6
133.10109	6.0
137.02353	6.1
137.06010	15.7
137.13213	4.4
138.06305	6.8
139.03909	4.9
143.03389	4.7
148.03888	3.2
149.02335	3.5
151.03905	33.8
152.04274	20.1
153.01811	92.7
154.02115	3.3
161.13234	11.7
163.03893	4.7
165.01811	8.5
166.02626	3.3
167.03340	3.0
168.02965	3.2
169.01291	7.6
176.03421	3.2
177.05560	4.6
178.04947	8.7
179.03331	4.1
181.01405	2.9
183.04465	2.9
187.03879	3.8
190.09409	3.7
192.02902	4.1
194.04543	7.0
196.16937	3.2
201.05611	3.8
203.07062	4.5
204.07373	7.1
205.05060	4.9
206.04428	14.0
214.17981	86.9
215.03351	5.4
216.04099	3.8
219.02913	8.1
224.05530	6.4
228.06441	3.3
229.04985	7.4
229.20128	3.4
233.04509	3.5
243.02852	4.1
244.03650	4.3
245.04541	4.4
257.04352	11.8
261.03943	9.5
270.03949	4.1
284.05405	4.6
285.03949	7.3
289.03387	24.8
290.04108	10.8
295.20596	2.9
299.01651	3.2
301.03577	4.8
302.06592	9.7
303.04919	21.9
312.05032	13.6
313.03397	8.3
316.04489	3.5
317.02798	25.6
318.03674	100.0
319.04318	7.4
322.11511	4.1
328.12784	2.9
330.05981	12.9
331.04428	25.3
334.05576	35.7
335.03958	33.4
340.04382	4.9
340.12454	3.7
348.07294	5.1
358.05533	86.7
358.12827	3.4
359.04147	9.9
376.06549	72.8
376.23175	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	375.2891
Annotation	15-HTPE
Peak:m/z	Relative Intensity
50.85890	3.0
53.07532	2.9
55.05508	30.3
57.07061	5.8
59.05016	3.5
64.84124	2.9
64.87377	3.4
67.05500	23.5
69.07058	39.8
70.50242	11.0
71.04990	29.8
73.05428	3.3
75.24500	3.2
79.05482	12.0
81.07052	41.6
83.04971	6.2
83.08617	15.8
85.06526	10.3
91.05479	17.6
93.07040	41.5
95.04934	3.6
95.08607	55.3
97.06541	4.0
97.10152	8.8
97.57764	2.9
99.04462	16.3
99.08086	13.3
101.06033	21.2
105.07010	42.9
107.08582	76.3
109.06525	5.8
109.10148	63.6
111.08052	3.8
117.07042	3.7
119.08569	55.2
121.10123	56.0
123.08090	6.3
123.11707	16.2
125.09647	9.1
127.07564	6.4
127.11176	100.0
131.08557	14.7
133.10097	53.1
135.08093	3.1
135.11678	34.4
136.56107	3.3
137.09549	5.0
137.13257	4.6
141.09126	4.4
143.08577	6.0
145.10098	29.5
147.08104	4.8
147.11676	50.7
149.09584	14.6
149.13268	13.5
151.11275	3.1
157.10120	13.2
158.10907	5.9
159.11694	30.4
161.09645	5.0
161.13235	19.7
163.11174	5.9
163.14804	7.6
167.10651	14.1
171.11684	9.6
173.13255	27.2
175.11157	8.7
175.14874	12.8
177.12750	7.6
177.16437	7.5
181.12204	9.6
183.11800	4.0
185.13292	7.1
187.14783	25.1
189.12762	6.9
189.16357	9.4
193.12241	7.3
195.13829	11.9
197.13176	5.0
199.14828	5.4
201.16360	33.0
207.13808	24.8
211.14781	4.5
213.16386	10.6
215.17975	11.9
217.15875	7.6
217.19385	5.3
221.15413	4.0
223.14774	4.4
229.15863	8.4
229.19594	6.5
231.17516	4.0
233.15388	4.2
235.16998	4.5
241.19415	4.9
247.17021	5.2
247.20651	5.3
249.18526	11.9
253.19420	7.1
259.20660	4.5
265.19580	3.9
269.22583	4.0
271.20578	7.8
273.18567	5.7
275.20126	5.5
277.21677	12.2
287.20001	3.7
289.21619	36.9
301.21536	6.6
305.10205	4.0
315.26642	3.7
321.25806	7.2
339.26797	31.0
345.21326	3.8
347.29343	5.8
357.27856	97.7
360.49533	3.4
375.28876	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	375.2372
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.05501	5.6
57.92087	3.1
67.05512	4.8
67.14729	3.0
69.03442	4.0
69.07055	12.7
69.77822	2.8
71.27098	7.2
79.05477	4.5
81.07058	14.8
82.79306	3.1
83.08610	9.6
85.02864	4.7
91.05475	5.1
93.07034	10.7
95.08600	27.0
96.08297	2.9
99.08092	13.4
107.08580	27.4
109.10165	6.1
109.52934	3.4
111.08089	6.1
121.10130	42.4
125.09628	5.5
128.55077	3.8
135.11691	9.1
137.05968	13.8
137.13213	4.1
139.03889	5.2
149.13274	4.1
151.03876	6.6
167.07146	3.7
175.53656	3.1
177.16371	100.0
178.16711	6.9
191.07220	3.4
195.17409	22.2
203.07112	4.1
213.18495	31.6
216.93159	3.0
252.22728	2.9
282.48251	3.3
361.73340	3.5
375.14490	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	375.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.3
55.05498	9.8
67.05508	9.3
69.03424	6.8
69.07070	16.3
70.06580	12.3
71.43591	11.7
81.03394	14.3
81.07045	29.2
85.06560	7.8
86.09702	9.9
86.33379	6.3
93.07030	11.4
95.08605	33.9
99.08063	13.6
105.07011	8.5
107.04898	11.5
107.08595	28.3
109.06426	6.8
109.10158	9.9
111.04462	7.9
111.08076	9.2
119.04974	11.4
120.08107	13.1
121.10161	51.4
122.02824	7.8
129.06996	13.0
135.11702	8.8
137.05956	49.3
143.04883	9.9
145.06465	7.2
147.04346	7.1
150.79803	6.8
151.03944	77.0
151.05070	11.9
157.06435	9.2
161.06021	11.7
161.27010	6.9
161.84679	7.0
167.07014	10.8
167.85204	7.4
175.07635	8.7
177.09142	8.9
177.16377	100.0
187.99455	7.1
189.08966	11.0
195.17451	18.5
203.07001	33.5
210.12585	8.1
213.18512	21.8
267.69827	7.4
315.09692	10.1
327.12305	14.7
339.12177	8.3
375.11209	11.5
375.19803	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	375.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	8.3
55.10691	3.8
57.66358	4.0
58.99556	3.8
67.05486	8.9
69.03397	8.9
69.07053	18.0
70.84100	3.6
71.26330	7.3
79.05476	6.6
81.03407	6.6
81.07034	17.0
83.08609	9.2
85.02881	12.5
85.06505	6.6
89.87065	4.9
91.05441	7.3
93.07014	17.3
95.08604	34.9
99.08076	15.6
105.06992	7.7
107.08593	38.3
109.10146	12.9
111.08070	11.2
119.04941	5.7
121.06518	4.6
121.10123	56.9
122.03553	4.3
125.09607	9.4
130.09599	3.7
131.04909	4.6
135.11673	16.1
137.05971	33.1
137.13245	4.5
141.05446	4.7
146.02695	5.5
149.05986	6.6
149.13281	5.8
149.44479	4.3
151.03891	48.2
151.04980	4.9
157.06496	5.7
161.05928	13.5
167.07002	12.9
167.08357	4.2
175.07472	5.1
177.16367	100.0
178.16611	4.6
191.06946	8.2
193.08597	5.8
195.17451	17.5
203.06995	16.5
205.08524	6.1
213.18497	31.5
227.08281	4.8
255.11224	8.1
256.10785	5.1
271.13107	7.0
273.12109	4.8
283.09644	5.4
315.12341	10.3
325.10501	4.3
327.12274	7.4
339.12439	5.7
357.13239	12.0
375.03510	5.0
376.13095	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.0
59.62098	0.8
61.02905	1.8
69.03418	3.4
70.02432	5.0
74.57587	0.9
79.50390	0.8
81.03413	1.1
81.88660	0.8
82.84676	0.9
83.59745	0.8
85.02896	15.1
89.03922	4.9
94.50723	0.9
97.02903	4.3
104.59090	0.9
107.66480	0.9
109.02879	1.5
112.79543	0.8
117.03372	15.8
127.03896	3.2
127.10286	0.9
134.03618	1.5
135.04420	1.4
145.02831	46.0
145.04947	3.1
149.05943	6.1
162.03189	1.9
163.03909	3.4
177.05457	100.0
178.05760	2.3
180.08630	1.2
195.06509	41.2
196.06961	1.1
261.07272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.6
61.02916	1.0
63.77077	0.5
69.03403	1.7
79.05455	0.7
81.03415	0.9
85.02903	6.4
86.09688	0.7
91.05473	1.0
94.04134	0.6
97.02872	2.5
99.04443	0.7
107.04930	1.2
122.03622	1.4
123.04449	0.9
127.03888	0.9
130.54903	0.6
137.05962	100.0
138.06305	2.3
142.58022	0.5
145.04961	1.2
167.07076	1.2
172.08723	2.2
181.04721	0.7
195.10129	2.9
212.12793	0.6
216.07571	0.9
230.04518	0.7
243.08679	4.2
262.07556	0.5
268.53537	0.6
314.12387	0.5
339.29520	0.6
357.11963	2.2
374.03464	0.6
374.14319	1.1
375.12857	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	375.1436
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03944	0.7
53.56362	0.4
55.01875	1.2
58.53847	0.4
61.90430	0.5
65.03939	2.3
67.05490	2.5
69.03399	0.5
70.06017	2.0
70.06435	0.8
79.05495	1.5
81.03410	8.6
81.07046	1.1
85.02886	1.0
91.05486	1.3
94.04156	1.0
95.01331	0.6
95.04953	1.6
103.05429	0.8
107.04946	1.4
108.02076	2.3
109.02841	0.6
109.06509	1.9
111.04435	2.4
112.01629	0.6
115.05431	3.2
117.06980	1.4
119.04891	0.7
119.08623	0.5
120.07169	0.4
121.06433	0.5
122.03642	3.5
125.05924	1.1
128.06194	3.4
129.06993	8.9
131.04932	1.9
135.04425	0.7
136.01546	0.6
137.05966	46.5
138.06342	0.9
138.09166	0.5
141.05432	4.3
143.04912	4.9
145.06483	1.5
146.03639	0.9
147.08047	2.2
148.03926	2.2
149.05959	0.7
151.03899	100.0
151.04988	8.6
152.04193	1.8
153.05437	2.5
155.06131	0.6
157.06470	9.5
159.04382	0.8
160.05183	2.2
161.05966	2.2
161.09592	1.8
163.07573	0.7
165.05455	2.6
166.04938	1.0
171.04367	4.3
173.05945	0.6
174.06755	1.1
175.07500	4.8
176.04688	1.1
177.05437	0.7
177.09004	0.8
181.04915	0.6
183.04422	0.6
187.07550	1.5
188.04704	1.6
189.05475	0.6
189.09096	9.4
191.07007	6.7
191.08565	0.8
203.07011	24.9
204.07623	0.5
205.08559	5.6
206.08992	0.5
207.03879	0.5
215.07068	1.6
219.08093	1.4
221.08067	6.4
231.94601	0.5
233.08057	4.9
235.07521	1.5
236.08372	0.6
237.08910	0.7
243.06456	1.4
246.06859	0.6
247.07584	1.0
247.70396	0.5
249.09274	0.6
251.10733	1.0
253.08580	0.5
261.09265	1.3
263.06998	1.0
264.07907	1.1
265.08688	0.7
271.06058	0.8
277.08481	1.3
279.10178	2.2
281.08273	0.5
286.08359	3.9
289.08621	1.3
290.09006	0.6
291.06516	0.5
293.07950	0.5
295.09726	2.2
297.11249	1.1
301.11865	1.4
307.09512	3.7
308.10300	0.9
309.11212	0.9
311.12842	1.3
312.09964	0.8
321.11304	4.8
324.09967	0.7
327.12234	8.3
339.12259	5.3
343.12622	0.7
345.13190	0.7
357.13388	6.4
375.11661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2217
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
66.76143	8.1
67.05495	11.4
69.39004	100.0
81.07039	12.6
83.04939	9.5
88.83154	8.5
91.49669	9.3
93.07001	8.9
95.08609	16.0
98.21487	17.0
109.10130	40.6
119.08540	19.5
121.10089	11.4
122.03637	14.0
135.11685	27.9
135.86861	8.0
137.05943	58.2
175.14861	23.2
177.96814	9.2
185.15660	9.4
186.19580	9.1
193.15848	19.3
211.16936	40.3
305.08032	9.0
315.48203	9.3
390.22974	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	373.2372
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
53.03939	4.8
55.05502	7.7
55.98022	1.8
65.03929	2.8
67.05500	23.8
69.03425	2.8
69.07059	4.9
69.63519	13.8
79.05083	3.4
79.05491	36.4
81.03434	3.4
81.07049	41.1
83.04963	4.2
83.08610	7.1
85.02909	3.4
85.15558	2.3
91.05465	37.0
93.07040	43.2
95.04960	8.2
95.08603	30.6
97.06524	6.4
105.07028	53.7
107.04932	8.5
107.07925	3.2
107.08588	40.9
109.06523	13.9
109.10134	12.5
111.04420	6.8
115.05415	2.4
117.07005	12.3
119.08585	35.2
121.06480	5.0
121.10132	36.0
123.08060	2.4
123.11683	2.7
123.60358	2.0
125.05984	67.6
125.09601	3.2
127.03915	2.4
128.06328	2.4
129.06985	12.3
131.08551	31.5
133.06491	2.7
133.10115	29.0
135.04372	2.5
135.08034	5.2
135.11711	12.7
137.05978	5.8
137.09622	2.4
139.03900	6.7
139.07494	3.8
141.07033	4.4
142.07722	4.9
143.08553	17.7
144.09288	3.0
145.10115	33.4
147.04485	1.9
147.07988	4.6
147.11667	25.1
149.05992	2.4
149.09589	2.7
149.13248	6.2
153.05457	59.6
155.07022	29.2
155.08502	11.4
157.10103	17.2
159.08034	4.1
159.11674	45.1
159.12965	3.1
161.09618	4.3
161.13223	14.3
163.07553	5.1
167.07050	3.6
167.08557	3.7
169.10063	9.8
171.11707	11.9
173.13284	8.7
175.07692	2.6
175.14816	20.6
177.09148	2.3
181.08649	2.9
181.10139	8.6
183.11693	10.4
185.09662	3.1
185.13240	15.3
187.14815	10.4
189.09029	4.4
189.16406	9.1
191.10675	3.9
191.48260	2.4
193.08496	3.1
193.10095	2.9
195.11708	11.1
197.13274	10.3
199.11105	3.7
199.14772	14.4
201.09128	3.8
201.12668	3.5
201.16365	32.8
203.10617	6.3
203.17885	2.8
209.13258	9.8
211.11246	2.9
211.14833	6.1
213.12648	3.5
213.16344	6.7
215.10716	3.6
215.14445	2.8
215.17952	9.4
217.12160	6.3
221.13304	5.1
223.14861	8.3
225.16383	4.0
227.10681	4.3
229.12239	6.5
231.13788	2.6
235.14821	6.0
237.16321	3.6
241.12210	3.0
243.13663	2.9
249.16339	7.4
251.18015	5.1
253.19482	5.5
255.13844	5.9
257.15271	4.5
263.17941	2.6
267.09058	2.3
277.19516	11.4
281.15515	6.3
285.09805	3.9
291.18259	2.2
291.21106	14.2
295.16873	3.9
299.95895	2.2
309.22079	12.0
319.20544	13.8
327.23169	4.7
337.21594	77.4
337.25684	3.8
338.21973	2.6
355.22650	100.0
356.22794	2.4
357.10086	2.3
373.23682	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
67.05508	27.9
68.05003	12.3
69.07070	13.9
71.04487	18.7
71.04807	19.8
81.07062	39.2
83.08584	17.3
84.04535	24.8
86.09695	17.5
95.08595	37.3
107.08608	23.1
109.10123	100.0
114.05576	11.9
119.08604	41.6
123.08064	21.2
133.10109	25.4
135.11658	78.9
137.05913	18.6
137.09627	18.5
147.04315	19.1
151.14813	12.4
167.07056	14.9
174.42357	13.4
175.14827	33.7
177.05495	11.7
184.09726	19.0
191.07048	14.6
193.15933	52.8
195.42903	13.8
197.80807	12.7
201.05443	25.2
211.17020	80.4
241.08591	21.5
251.83582	13.6
253.08626	20.0
329.20804	27.9
373.05573	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	373.128
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
55.01860	2.6
56.09739	1.2
67.05505	2.3
69.03444	1.6
69.07063	3.4
71.71132	1.9
78.15498	1.3
79.05492	4.9
81.07043	6.7
84.08175	1.5
91.05474	4.7
93.07048	3.5
94.04175	3.8
95.04972	3.6
95.08607	3.5
97.02814	1.7
97.06522	1.5
103.05446	2.7
105.07027	4.8
107.04950	4.4
107.08598	2.5
109.06531	3.5
109.10164	5.3
112.26125	1.4
115.05468	3.6
119.04967	2.8
119.08571	3.1
121.06514	2.3
121.10152	4.5
122.03649	9.3
123.04482	2.3
123.11741	1.8
125.09641	2.7
131.04942	3.3
131.08621	1.8
133.06509	2.1
133.10089	1.7
135.08095	2.1
135.11676	1.5
137.02371	1.6
137.05968	100.0
137.09573	1.9
138.06294	2.6
139.03972	1.6
143.04892	2.0
145.06497	3.2
147.04430	2.0
149.05995	2.9
151.03860	1.6
151.07632	1.6
159.04384	2.3
160.05241	3.9
161.06041	3.9
163.03996	1.4
163.07544	4.1
165.05536	1.5
165.06956	2.1
167.07086	6.4
171.04453	2.0
173.06012	5.1
175.07516	5.3
175.14790	2.0
177.05492	1.8
178.07809	1.7
179.06953	1.5
179.08475	2.1
186.03157	1.6
187.07597	1.7
188.04755	3.3
189.05424	2.1
191.07059	1.8
193.06456	1.9
193.15892	1.5
201.05377	6.4
203.06960	7.9
205.06479	6.8
206.07222	2.1
207.06453	11.0
207.07974	2.8
211.07413	1.9
219.06514	3.8
221.06047	3.8
222.06783	3.3
231.06538	6.6
233.05923	4.7
234.06740	4.4
235.07462	4.1
237.05608	1.6
237.09085	2.4
239.07179	1.9
239.11688	1.7
245.06128	1.7
247.07729	1.6
250.06282	3.2
251.07077	3.1
253.08861	2.5
262.06268	3.2
263.07043	2.4
264.07782	1.7
265.05414	1.3
265.08575	7.3
267.11206	2.8
277.08701	7.5
279.06583	1.7
280.07379	2.1
281.08279	1.7
282.09024	1.6
283.09644	5.8
292.07321	2.3
293.08075	6.5
294.08591	2.8
295.09885	3.9
297.11224	2.9
305.08154	3.7
307.09534	7.6
309.11206	4.3
310.08383	1.8
313.11514	6.8
319.22794	1.6
322.08405	2.3
323.09171	4.3
325.10754	11.2
337.10638	11.4
337.23672	2.7
341.10269	4.1
343.11792	4.3
355.11520	12.2
355.14951	2.1
355.24799	1.8
373.13602	14.4
373.17740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90079	1.6
55.05497	7.4
67.05493	3.6
69.03411	1.9
70.06593	4.0
70.44332	1.5
71.72028	2.8
74.39266	1.5
78.94625	1.4
79.05479	3.0
79.92421	1.7
81.07033	4.1
83.08599	5.5
84.04478	1.9
84.08164	2.0
85.02917	4.1
85.06518	2.0
86.09692	5.8
91.05463	7.4
92.51600	1.6
93.07040	3.9
95.04951	4.7
95.08591	3.9
97.02921	1.8
99.08109	8.3
100.07587	4.5
100.11262	8.2
101.11591	5.7
105.07033	2.4
107.04954	2.9
107.08616	2.5
109.06567	2.0
109.10165	2.9
111.04431	5.8
112.04781	2.4
112.07551	1.5
115.05459	5.2
117.07008	4.1
119.04924	8.0
119.08553	2.8
122.03606	2.8
124.05145	1.8
128.07056	4.3
129.07410	2.6
131.04889	1.9
135.04399	2.2
137.04939	3.6
137.05963	47.2
143.04916	3.0
145.02802	2.0
145.06465	6.6
147.04381	7.3
149.05995	3.7
150.06778	5.1
158.03630	6.0
161.06006	4.6
162.06799	2.4
163.07535	2.1
165.07068	2.2
167.06970	1.6
173.05981	16.2
175.03891	3.1
175.07565	2.9
177.05501	2.9
177.06940	2.5
179.07001	2.4
182.15419	10.1
183.15735	11.9
186.03088	6.1
187.07411	2.0
189.05443	2.9
193.12038	1.7
194.07230	2.7
196.96898	1.6
201.05455	100.0
202.05905	2.4
203.07175	1.9
205.06522	6.1
207.06396	1.7
210.14926	10.3
211.15207	15.6
211.16946	3.2
219.06429	10.1
221.06027	4.1
222.06758	2.8
225.09178	2.4
227.17693	2.5
228.17909	2.6
229.16306	4.5
231.06491	2.9
233.05943	5.0
234.06718	5.8
237.09067	4.5
239.06985	2.0
249.05325	2.6
250.06200	5.5
251.06839	1.9
253.08479	2.0
264.07697	2.4
265.08615	13.8
277.08588	5.7
278.05685	3.3
281.08017	2.8
282.08920	1.8
285.11386	1.9
292.07141	5.4
293.08142	10.3
297.11209	4.4
305.07990	5.2
307.06332	3.3
307.09479	16.1
310.08212	1.9
313.11124	4.8
323.09174	2.5
325.10678	37.1
326.11014	2.6
337.10614	3.4
338.21436	15.4
343.11435	3.0
355.11688	10.7
355.24115	6.7
356.22449	7.4
373.13705	7.1
373.18207	2.3
373.25168	6.0
391.90775	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.1
55.01860	6.8
56.05015	2.1
57.03439	7.8
61.02914	10.8
67.05470	2.1
69.03114	2.0
69.03426	25.5
69.39874	7.7
69.40299	9.4
70.06565	5.3
71.04980	4.3
72.77260	1.5
73.02895	6.1
79.05495	4.2
81.03420	10.7
81.07051	2.6
82.06547	1.9
84.04472	5.0
85.02896	80.7
86.06046	5.7
87.04435	3.4
91.03928	2.7
91.05778	7.8
92.26078	1.6
93.07028	4.0
95.04956	1.9
97.02884	26.0
99.04432	3.4
103.05441	7.3
105.07010	20.7
107.04943	100.0
109.02869	8.0
117.06980	2.0
119.08613	3.6
120.08111	2.3
121.06483	21.1
123.04448	4.7
127.03891	14.6
129.06989	5.5
131.04918	7.1
131.07339	2.2
131.08514	1.9
132.08049	3.7
133.06474	44.5
136.07524	2.0
145.04965	15.3
145.06451	7.1
146.05879	2.5
146.09593	5.1
147.06769	2.2
147.08029	3.7
148.07597	8.1
149.05978	65.8
150.09135	43.8
151.07515	4.3
157.06410	2.4
162.09142	20.6
164.10690	6.3
167.07030	19.0
174.09154	16.1
175.07512	10.7
176.10669	3.6
188.10558	1.8
190.08612	4.8
192.10194	44.4
193.08592	7.7
193.10262	2.1
210.11240	63.6
210.14429	2.6
212.92719	2.1
251.79460	1.6
286.01071	2.1
354.15485	1.9
356.06912	3.0
372.16626	25.9
391.05310	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	372.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.1
55.01860	6.8
56.05015	2.1
57.03439	7.8
61.02914	10.8
67.05470	2.1
69.03114	2.0
69.03426	25.5
69.39874	7.7
69.40299	9.4
70.06565	5.3
71.04980	4.3
72.77260	1.5
73.02895	6.1
79.05495	4.2
81.03420	10.7
81.07051	2.6
82.06547	1.9
84.04472	5.0
85.02896	80.7
86.06046	5.7
87.04435	3.4
91.03928	2.7
91.05778	7.8
92.26078	1.6
93.07028	4.0
95.04956	1.9
97.02884	26.0
99.04432	3.4
103.05441	7.3
105.07010	20.7
107.04943	100.0
109.02869	8.0
117.06980	2.0
119.08613	3.6
120.08111	2.3
121.06483	21.1
123.04448	4.7
127.03891	14.6
129.06989	5.5
131.04918	7.1
131.07339	2.2
131.08514	1.9
132.08049	3.7
133.06474	44.5
136.07524	2.0
145.04965	15.3
145.06451	7.1
146.05879	2.5
146.09593	5.1
147.06769	2.2
147.08029	3.7
148.07597	8.1
149.05978	65.8
150.09135	43.8
151.07515	4.3
157.06410	2.4
162.09142	20.6
164.10690	6.3
167.07030	19.0
174.09154	16.1
175.07512	10.7
176.10669	3.6
188.10558	1.8
190.08612	4.8
192.10194	44.4
193.08592	7.7
193.10262	2.1
210.11240	63.6
210.14429	2.6
212.92719	2.1
251.79460	1.6
286.01071	2.1
354.15485	1.9
356.06912	3.0
372.16626	25.9
391.05310	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	371.1675
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.05507	0.5
62.32963	0.4
64.18336	0.4
65.29674	0.4
67.05499	0.6
69.03408	0.8
70.06583	1.1
71.69807	0.5
73.04736	0.7
79.05461	0.5
81.07059	0.9
83.04976	0.6
84.08152	0.5
86.09715	0.8
91.05807	3.9
95.04933	0.9
95.08599	0.6
96.00185	0.4
101.05999	0.9
107.04954	0.7
114.07378	0.7
116.79565	0.4
129.05478	0.8
133.10127	0.6
137.05943	2.2
147.06516	0.9
149.02325	0.5
149.84219	0.4
151.42667	0.4
154.03265	0.4
167.06995	0.8
170.85561	0.4
178.07739	0.9
191.14276	0.6
206.07231	0.7
209.04492	0.7
209.11488	0.6
217.08598	0.6
219.08214	0.5
233.09700	0.4
234.06627	0.9
235.07481	1.1
237.09198	0.5
249.09081	1.9
263.07007	0.8
265.08618	0.7
277.08560	2.1
285.00931	0.9
285.07700	0.6
293.08209	1.0
295.09628	0.6
307.09744	0.6
308.06885	0.6
321.07626	1.0
321.11166	0.8
323.09009	0.6
337.42990	0.5
341.10379	0.7
353.10077	3.3
353.13852	1.0
355.07114	1.4
371.16751	100.0
372.17163	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03935	3.3
55.01867	2.2
57.36221	1.7
65.03947	3.2
69.03426	4.7
71.04980	2.5
71.70774	1.6
71.71099	2.1
79.05488	12.4
81.07051	5.1
83.04967	2.1
87.27798	1.6
91.05394	3.8
91.05833	5.6
93.07047	2.5
94.04189	3.7
95.04968	3.5
95.08617	2.7
103.05470	2.8
105.07010	5.7
107.04945	19.8
107.08575	3.6
109.06512	3.5
109.10160	3.2
111.04429	2.9
111.21291	1.6
115.05458	4.6
116.06216	4.1
117.06992	4.6
119.04876	1.8
119.08571	3.9
119.78049	1.8
121.06512	3.4
122.03640	7.5
123.04416	2.4
124.05164	3.5
125.05999	3.1
125.09657	3.1
128.06198	5.0
129.06976	12.9
131.04926	4.9
131.08572	11.0
133.02818	2.7
133.06462	3.2
133.10123	6.5
137.05966	100.0
141.06934	4.2
144.05711	7.0
145.06474	5.7
147.04410	4.0
147.06535	4.0
149.05954	2.5
151.03912	5.7
151.07588	3.2
153.05493	2.6
156.05685	24.6
157.06454	7.7
158.07243	3.6
159.08038	19.3
160.05246	3.3
161.05954	7.5
163.03853	2.7
163.07616	2.6
164.61490	1.9
165.05409	2.3
165.06917	2.4
167.07030	49.9
167.08499	2.4
169.06482	3.0
172.05203	3.6
173.05959	4.6
174.06763	5.5
175.07510	14.1
177.05426	7.1
177.09155	2.1
178.07857	2.3
179.07059	2.7
180.05746	1.8
181.06419	3.0
181.08574	2.0
184.05168	5.9
185.06039	2.1
186.06726	5.0
187.07520	23.8
189.06978	4.4
189.09120	10.0
190.07787	6.2
191.07091	2.2
191.08679	2.2
191.14293	6.3
193.08566	4.3
193.10156	2.7
195.06552	2.4
195.08086	2.4
196.05081	2.1
197.06003	2.6
201.09126	3.7
202.06210	5.8
202.07855	3.3
203.06882	2.1
203.08554	8.9
205.06563	2.9
205.08557	8.3
205.10300	2.0
206.07301	5.8
207.08087	4.1
209.05989	2.7
209.15369	2.6
210.06761	2.0
211.07474	5.2
215.06953	5.6
215.08643	6.5
217.06647	3.0
217.08577	73.1
218.07269	14.0
218.09068	3.0
219.08017	9.6
219.10201	5.3
221.06017	2.8
221.09610	7.4
223.07654	3.4
224.04636	2.5
225.09024	2.9
226.06259	5.0
231.08040	7.8
232.08746	6.0
233.06003	4.0
233.09550	14.9
234.06737	10.5
235.07478	13.6
236.08276	3.9
237.05557	2.3
237.08989	2.3
238.06229	2.7
239.07025	22.6
240.07706	2.7
241.08624	14.4
242.05670	4.5
243.08214	1.9
246.06773	5.7
247.07457	7.6
247.09679	24.6
248.08209	2.6
249.09084	19.3
250.09924	5.5
251.07027	6.4
251.10631	2.5
252.07671	10.0
256.03644	2.8
256.07269	2.6
257.05762	2.2
257.08179	7.9
260.08313	6.9
261.09113	25.9
262.06210	4.1
262.09845	4.2
263.07013	13.1
263.10611	2.4
264.07770	4.0
265.08545	6.8
266.09323	8.2
267.10144	2.2
269.08063	7.7
270.08813	1.9
271.06024	7.9
275.06839	2.1
275.10626	1.8
277.08569	22.1
278.09290	15.9
279.06549	5.9
279.10120	6.5
280.07153	6.1
281.08148	2.3
281.11713	9.0
285.00925	3.4
285.07553	55.4
286.08139	6.2
289.08536	10.5
291.06516	4.3
291.10004	3.6
292.07373	3.2
292.10880	3.8
293.08121	5.8
293.11719	18.7
294.08807	4.1
295.09601	7.5
296.10385	2.6
297.07675	2.6
298.08347	2.8
300.09900	50.8
301.10672	18.7
306.08710	9.7
307.09488	9.6
308.06830	3.0
309.11215	17.3
310.11896	3.2
311.09113	5.8
311.12781	3.8
313.10681	13.9
320.10547	3.0
321.11203	34.6
322.11786	5.5
323.09216	9.1
325.10681	2.4
325.14386	1.9
326.11526	14.0
327.12283	3.6
338.11404	8.0
339.12228	13.8
341.13794	12.2
343.15396	2.2
353.13800	52.9
354.14172	5.5
371.15045	34.1
372.14737	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60655	1.4
53.03939	1.7
57.07064	2.0
67.05492	2.4
69.03415	2.7
73.04768	1.9
73.44717	2.0
79.05485	9.4
81.03415	2.0
81.07049	6.7
83.04975	2.0
84.08134	1.8
84.98313	1.7
85.02850	1.7
86.77760	1.4
91.05376	8.2
93.07027	2.1
94.04179	4.7
95.04951	4.8
95.08572	1.7
97.02875	2.5
101.06025	2.1
103.05409	2.2
105.06991	4.1
106.64443	1.6
107.04947	19.5
107.08600	2.4
107.30338	1.6
109.06500	3.3
111.04489	1.9
111.11748	1.3
114.07384	1.8
115.05459	4.7
116.06244	3.1
117.06979	2.3
119.04974	2.9
121.06451	2.2
121.10123	2.3
122.03671	7.3
123.04389	3.5
124.05213	3.8
125.06002	3.4
126.73367	1.7
128.06224	7.1
129.06976	11.3
131.04945	3.9
131.08546	10.8
132.05681	1.9
133.02850	2.0
133.06439	3.2
133.10114	5.0
135.08037	2.2
136.80847	1.7
137.05963	100.0
137.09624	2.5
138.06305	2.0
141.06975	4.9
144.05666	9.9
145.06461	3.4
147.04393	3.3
147.06549	3.1
149.05989	2.0
151.03867	4.7
151.07507	3.3
152.04822	2.2
156.05682	21.8
157.06467	6.3
158.07297	2.5
159.08006	18.2
160.05188	4.0
161.05945	5.9
163.03847	3.2
163.07462	2.2
165.05432	1.9
166.22256	1.8
167.07042	48.2
169.06474	5.0
172.05214	5.4
173.05949	2.3
173.13231	2.5
174.06764	6.8
175.07545	14.0
177.05464	6.9
178.07759	3.8
179.07077	3.3
179.08531	3.3
181.06493	3.9
181.08519	1.9
184.05157	3.4
185.06036	1.6
186.06818	2.8
187.07506	22.8
189.07060	4.8
189.09103	8.4
190.06181	1.9
190.07776	4.7
191.07042	3.3
191.08522	3.8
191.14272	4.7
193.08621	3.1
193.10208	2.4
195.08112	2.2
196.05157	2.7
198.06718	2.7
199.07581	2.9
199.11046	1.6
201.09024	1.8
202.06242	9.1
202.07870	2.5
203.06935	3.1
203.08519	10.0
205.06641	3.0
205.08589	6.7
206.07182	7.3
207.06375	1.8
207.08067	5.4
210.06712	1.9
211.07530	5.5
213.09148	1.9
214.33429	1.8
215.06898	4.1
215.08565	5.4
217.06554	4.2
217.08559	64.1
218.07159	12.9
219.07964	8.8
219.10158	5.9
220.08862	2.4
221.09555	11.6
222.06660	2.3
223.07484	4.4
224.04694	4.9
225.05333	1.7
225.08923	2.0
226.06216	6.0
229.08594	2.0
231.08020	9.9
232.08769	5.9
233.06075	2.0
233.09607	15.8
234.06729	13.1
235.07523	13.7
236.08266	3.5
237.05467	3.7
237.09024	2.6
238.09961	2.3
239.06972	20.0
239.10635	2.4
240.07735	1.9
241.08565	13.6
242.05638	5.4
243.08208	2.3
246.06754	8.3
247.07430	7.7
247.09674	27.4
248.08255	4.7
249.09053	24.2
250.06281	3.2
250.09755	4.6
251.07018	6.3
251.10623	4.1
252.07835	6.8
253.08321	2.3
255.06699	1.9
257.08118	6.7
259.07535	3.2
260.08337	6.2
261.09088	29.5
261.11850	2.0
262.06296	5.9
262.09784	6.2
263.06912	13.7
263.10632	4.5
264.07550	3.0
265.05753	1.6
265.08511	7.3
266.09409	6.4
267.10046	3.2
268.07190	2.1
268.98035	1.7
269.08038	9.8
271.05896	9.2
275.06934	2.7
275.10550	2.0
276.07855	3.9
277.08585	22.7
278.09277	14.8
279.06516	5.6
279.10004	5.6
280.07321	4.9
281.08463	2.6
281.11569	9.0
283.09613	3.5
285.00900	4.6
285.04364	2.9
285.07553	50.7
286.08240	6.1
288.07797	2.5
289.08627	12.0
290.09348	3.6
291.06760	2.6
291.10190	6.3
292.07440	1.6
292.10876	3.7
293.08084	5.8
293.11703	22.6
294.08743	5.5
295.09747	5.9
296.10367	2.6
298.08215	2.5
300.09900	52.0
301.10620	18.9
303.10217	1.9
305.08130	3.2
306.08798	5.9
307.09619	6.6
308.06668	2.4
309.11145	25.4
311.09067	4.2
311.12668	4.1
313.10709	12.2
320.10355	2.8
321.11136	33.4
322.11829	3.7
323.09012	9.3
325.10474	1.8
326.11505	18.1
327.12045	3.4
338.11493	6.0
339.12286	12.6
340.12680	2.6
341.13800	11.7
353.09610	3.5
353.13797	58.9
354.13913	3.7
371.15073	27.3
372.15347	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08483	1.6
53.03942	1.7
55.01868	1.5
55.05502	3.8
67.05495	5.6
69.07082	2.9
69.83188	1.2
70.25314	4.4
70.25718	3.2
79.05502	11.7
81.03381	1.9
81.07068	7.0
83.08607	1.5
91.05441	8.4
93.07004	2.1
94.04180	4.1
95.04964	5.0
95.08595	1.7
97.10133	1.7
103.05480	2.7
105.07033	3.1
107.04945	19.3
109.06512	4.8
109.10149	3.5
111.04446	2.6
112.78224	1.2
115.05456	5.1
116.06226	2.5
117.06982	1.4
119.04993	2.1
121.06506	2.5
121.10142	2.4
122.03644	9.8
123.04428	1.8
124.05219	4.6
125.05952	3.3
128.06218	5.6
129.05482	2.7
129.07027	10.6
131.04964	4.1
131.08554	9.2
132.05714	1.6
133.02884	2.3
133.06467	1.5
133.10071	1.3
137.05968	100.0
138.06297	1.8
141.06992	5.2
144.05673	9.2
145.06523	3.9
149.05986	3.2
151.03854	2.9
151.07567	4.0
152.04704	2.2
156.05692	24.4
157.06470	6.3
158.07266	3.3
159.08047	16.2
160.05212	3.1
161.05980	2.7
163.03903	1.8
163.07581	1.6
165.05496	1.5
167.07024	38.5
169.06514	4.3
171.08119	1.6
172.05190	4.1
173.05957	4.0
174.06749	7.8
175.07556	12.4
177.05484	6.1
178.07782	4.1
179.07034	2.7
179.08473	1.9
180.05707	2.1
181.06459	2.7
184.05197	3.3
185.05972	1.4
186.06828	2.6
187.07544	20.9
189.07091	3.3
189.09123	7.8
190.06224	3.1
190.07802	5.8
191.08621	2.1
193.10138	1.9
195.06483	2.5
195.08122	2.0
196.05251	2.2
197.05959	1.6
198.06761	2.4
199.07500	1.7
201.09090	2.8
202.06261	7.8
202.07819	3.2
203.06978	1.9
203.08553	11.5
205.06575	2.6
205.08566	5.9
205.10225	2.7
206.07324	5.2
207.08057	4.3
207.09982	1.7
209.05858	2.1
210.06746	2.1
211.07523	5.7
214.06282	3.2
215.06950	3.7
215.08592	4.7
217.06673	3.1
217.08582	69.9
218.07248	12.3
219.08020	10.3
219.10187	5.7
220.08746	2.3
221.09647	8.8
223.07486	5.1
224.04660	1.7
225.05264	1.8
226.06264	5.8
229.08629	2.3
231.08043	8.4
232.08974	2.6
233.09583	13.7
234.06741	10.5
235.07521	12.5
235.09543	2.2
237.05466	2.7
237.09082	3.1
238.09901	4.0
239.07028	22.3
240.07755	2.5
241.08611	16.9
242.05739	6.3
243.08231	2.2
246.06923	6.5
247.07503	5.6
247.09682	22.9
248.08260	5.1
249.09071	21.4
250.06511	1.4
250.09805	5.1
251.07086	6.4
251.10574	2.0
252.07809	12.6
255.06544	2.7
256.03577	2.2
257.08044	6.5
259.07507	3.2
260.08282	6.7
261.09100	27.9
262.06332	3.6
262.09756	4.5
263.07043	15.6
263.10443	2.4
264.07758	3.4
265.08701	5.5
266.09332	7.5
267.10068	2.0
269.08124	7.8
270.05215	2.4
270.08856	2.2
271.05890	10.0
274.06265	1.7
275.07022	2.3
277.08618	20.1
278.09317	13.5
279.06592	4.3
279.10117	5.4
280.07333	5.2
281.08786	1.7
281.11694	8.5
283.09732	2.4
285.01065	2.2
285.07571	61.5
286.08121	4.8
289.08582	7.9
290.09262	1.8
291.06549	3.6
291.10165	6.4
292.07346	3.0
292.10712	3.3
293.08078	4.9
293.11731	19.1
294.08908	4.0
295.09628	5.8
297.07715	2.0
298.08334	2.6
299.09128	1.9
300.09906	52.9
301.10580	15.6
306.08618	9.2
307.09567	8.4
308.06680	1.9
309.08002	2.4
309.11221	19.6
310.11591	2.2
311.09265	2.6
311.12750	2.3
313.10614	11.0
321.11191	29.1
322.11746	5.5
323.09134	8.2
325.10858	2.6
326.11398	15.3
327.12030	2.3
338.11383	6.7
339.12177	4.7
341.13828	11.2
353.13818	59.2
354.14301	2.7
371.10715	1.2
371.14862	22.3
393.35458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34606	1.8
54.27181	1.8
54.50101	1.6
55.01848	2.8
60.50678	1.8
69.07043	2.4
69.99104	1.9
70.35921	4.0
70.36304	8.3
74.76320	2.1
79.05495	1.8
80.61233	1.8
81.07037	2.6
83.50264	2.2
91.05416	3.6
91.05862	2.9
95.04983	2.3
107.04952	2.5
115.05519	3.1
123.04430	2.7
128.06197	3.4
129.05496	2.1
129.07010	2.4
137.05949	5.2
141.06953	2.7
145.06439	2.1
152.06189	2.9
153.06993	6.1
155.04863	3.5
155.07230	2.0
155.08548	4.6
165.06967	4.9
167.07043	11.5
167.08371	2.5
168.05742	2.8
169.06456	4.1
171.08011	2.0
173.06018	2.8
175.07568	2.8
178.07767	4.2
179.08467	2.3
181.06488	6.9
183.08070	5.3
184.05240	5.4
184.08832	3.7
185.05984	4.6
187.07591	4.3
189.07074	3.1
190.07811	5.9
191.08568	4.1
193.06549	4.0
194.07269	3.7
195.08052	4.9
196.05182	2.2
197.05981	8.2
198.06721	4.7
199.07591	4.2
202.07953	2.6
203.08574	5.5
204.09357	6.2
205.06465	3.7
205.10117	5.8
206.07262	3.5
207.08037	6.6
209.06032	5.2
210.06772	3.0
211.07568	6.9
211.13780	2.4
212.04652	8.8
212.08331	8.0
213.05396	6.4
215.08588	15.8
217.06619	2.8
217.08598	4.2
218.07300	8.5
219.08102	7.1
220.05081	4.4
220.08513	2.5
221.05965	7.6
221.09636	3.9
222.06758	1.8
222.10078	2.8
223.07545	8.2
225.05482	3.0
226.06151	9.6
227.07033	8.1
228.04073	2.1
229.04897	4.4
231.08029	4.5
232.08781	5.2
233.06021	4.3
233.09572	17.9
234.06735	7.5
235.07518	19.1
236.04663	2.3
236.08281	4.0
237.05432	8.2
237.09100	4.7
238.06326	3.2
239.06960	4.8
240.07756	2.7
241.04927	5.0
241.08641	5.3
243.06300	6.5
243.08116	10.8
244.11066	6.2
245.09715	2.3
246.06776	2.8
247.07535	7.8
247.11343	4.5
249.05507	7.9
249.08965	9.6
250.06270	6.4
250.09898	4.4
251.07068	9.8
251.10667	7.7
252.07767	4.8
253.04863	2.5
253.08327	2.2
254.05675	6.0
255.06480	8.0
256.07248	5.0
257.04236	2.2
257.08099	5.8
258.05206	4.2
259.07675	3.5
260.08401	11.7
261.09106	22.9
262.06229	2.5
262.09775	3.0
263.07062	19.9
263.09744	2.5
263.10638	1.9
264.07724	7.4
265.05008	5.9
265.08597	10.5
265.11920	4.3
266.05768	7.3
266.09113	1.9
267.06497	2.7
268.07480	2.3
269.08075	11.7
271.07617	18.9
272.06619	3.2
273.07370	14.6
274.06198	4.2
275.07059	2.9
275.10629	17.5
277.05328	1.9
277.08572	8.3
278.05798	3.4
278.09366	8.8
279.06842	2.6
279.10034	9.7
280.07275	7.4
280.10516	2.8
281.08063	21.1
282.08768	5.3
283.09766	2.5
285.07471	2.0
286.08530	2.8
287.09271	19.9
288.07883	3.7
289.08585	53.7
290.09238	10.6
291.10040	4.4
292.10971	4.7
293.08121	9.2
293.11700	28.6
295.09625	14.2
296.10321	3.9
297.07932	3.0
297.11169	16.0
299.09198	2.9
300.09854	2.6
301.10757	3.8
303.10199	15.8
304.10815	3.1
305.08084	4.4
306.08978	11.7
307.09589	5.6
309.07596	2.6
309.11075	3.9
311.12817	5.6
313.10574	3.2
321.11194	100.0
322.11737	12.1
323.09109	6.4
324.09671	2.5
325.14172	12.9
327.12494	2.5
335.12808	10.9
338.11389	5.5
339.12280	21.7
340.12967	2.9
353.09650	3.6
353.13818	55.0
354.13922	7.5
371.14841	43.9
372.15292	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
52.04072	1.5
55.01867	2.2
55.05497	2.2
58.37863	1.3
61.02960	1.4
65.03945	1.6
65.53566	1.4
67.05503	2.5
69.03402	2.0
71.04976	2.9
71.70119	1.4
74.27850	1.2
76.69244	1.4
79.05474	10.9
81.07042	5.5
85.02892	2.3
90.71723	1.2
91.05438	5.7
91.05843	3.9
93.07025	3.5
94.04172	4.9
95.04945	4.8
95.08608	2.1
101.05980	1.9
103.05434	2.1
105.07024	5.0
107.04951	16.4
107.08584	1.5
109.06499	3.5
109.10149	2.7
111.04412	2.7
115.05444	4.6
116.06230	1.9
119.04950	2.1
119.08556	2.1
121.06456	1.7
122.03658	10.4
123.04385	2.6
124.05188	1.6
125.05985	1.7
128.06187	5.7
129.05516	1.7
129.07004	9.7
131.04942	3.5
131.08551	11.4
133.02841	2.0
133.06508	2.1
133.10027	1.7
137.05968	100.0
138.06267	2.6
139.03854	2.2
141.06996	3.0
144.05652	6.9
145.06464	6.5
147.04340	1.5
147.06459	1.9
147.07996	1.8
149.05913	3.3
151.03879	4.4
151.07500	4.0
153.05455	2.2
155.04791	1.4
156.05650	22.9
156.06810	1.9
157.06499	8.3
158.07227	3.0
159.08052	14.0
160.05240	3.3
161.05960	4.7
163.03853	2.1
163.07552	2.9
165.05377	2.1
167.07036	42.8
169.06418	3.5
169.07692	2.7
172.05154	3.3
173.05960	3.0
174.06801	7.1
175.07556	13.0
177.05534	9.4
177.06891	2.1
178.07765	2.6
179.08430	2.7
180.05688	2.9
181.06458	2.4
181.08539	1.6
184.05222	4.0
186.06746	3.9
187.07533	19.5
189.06998	3.7
189.09084	6.7
190.07747	5.2
191.06985	2.2
191.08598	2.3
191.14391	1.6
193.08612	2.9
195.06508	2.9
195.08098	2.3
199.07443	2.1
201.09114	2.3
202.06212	7.4
202.07838	3.2
203.08601	7.6
204.13762	1.5
205.06567	2.8
205.08589	5.0
205.10208	3.7
206.07227	6.7
207.08046	4.8
209.05992	2.4
209.07959	2.6
211.07552	4.8
214.06187	2.5
215.06972	3.7
215.08659	4.0
217.06602	3.0
217.08569	70.3
218.07246	12.1
218.09029	2.0
219.07944	7.7
219.10187	4.8
220.08615	1.5
221.09604	9.2
222.10165	1.8
223.07520	3.4
224.04630	3.9
224.08162	1.8
225.05388	1.9
225.08961	1.7
226.06242	5.2
227.06931	1.9
229.08678	1.6
231.08049	8.2
232.08864	3.3
233.06129	1.9
233.09605	16.9
234.06720	10.5
235.07549	11.5
236.08136	1.6
237.05460	2.6
237.09052	2.8
238.09898	3.0
239.07011	18.1
241.08586	20.3
242.05725	4.1
243.08167	2.0
246.06747	5.8
247.07408	5.1
247.09648	22.8
248.08241	4.3
249.09132	20.1
250.05939	2.2
250.09721	5.0
251.07022	6.4
251.10651	2.2
252.07770	10.8
253.08298	1.8
256.03647	2.7
257.08075	4.9
260.08295	6.7
261.09119	22.1
262.06247	4.4
262.09741	4.8
263.07007	12.6
263.10416	3.5
264.07767	4.0
265.08670	3.6
266.09369	6.9
267.06555	2.2
267.09970	3.7
268.97742	1.8
269.08118	7.4
271.06100	5.1
275.07080	2.4
275.10568	2.8
276.07806	1.6
277.08578	21.8
278.06616	1.7
278.09363	13.4
279.06485	4.6
279.10095	4.4
280.07281	5.2
281.08887	1.8
281.11664	9.9
283.09540	2.8
285.00986	2.2
285.07574	44.2
286.08102	4.8
289.08548	9.0
290.09341	3.3
291.06729	2.9
291.10034	3.5
292.07425	2.0
292.10907	3.3
293.08023	5.5
293.11673	23.2
294.08875	3.5
294.12045	2.4
295.09564	5.4
298.08420	3.2
300.09912	50.6
301.10626	18.1
303.10092	2.6
306.08783	6.1
307.09482	8.6
308.06705	1.6
309.11127	18.8
311.09323	2.7
311.12552	3.2
313.10623	12.6
320.25110	1.4
321.11185	32.4
322.11810	4.2
323.09073	6.6
325.10721	1.9
326.11523	14.1
327.12234	3.0
338.11423	5.2
339.12180	6.3
340.12592	1.8
341.13870	10.6
353.09662	3.3
353.13809	52.5
354.14224	3.4
371.14993	26.5
372.14914	1.8
377.19958	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01871	2.3
55.05505	3.9
57.03422	2.2
61.02937	1.8
65.03902	1.6
66.04702	1.8
67.05499	4.3
68.64218	1.6
69.03419	7.2
69.07058	3.1
71.04982	4.8
71.24747	3.9
73.02912	1.9
79.05481	11.6
81.03403	4.2
81.07034	7.1
83.04984	4.6
85.02908	18.6
87.04490	1.7
91.05397	10.9
93.07026	3.8
94.04175	4.8
95.04981	9.6
95.08598	4.1
97.02890	7.9
97.06530	2.6
99.04446	6.8
103.05447	2.6
105.07014	5.6
105.44038	1.6
107.04954	17.5
107.08594	5.6
109.02904	1.8
109.06508	5.1
109.10140	6.5
111.04453	12.5
115.05421	3.9
116.06181	3.2
117.07015	2.2
119.04881	2.3
119.08598	6.2
121.06447	3.3
121.10094	2.0
122.03651	8.7
122.21455	1.6
123.04446	3.9
123.08060	5.1
124.05188	4.1
125.05988	2.6
127.03918	4.2
128.06210	6.4
129.05478	2.6
129.06992	13.6
129.93388	1.6
131.04921	3.7
131.08557	14.0
133.10115	2.5
135.08080	7.7
137.05969	100.0
137.09540	5.1
138.06268	1.8
141.06949	4.6
144.05679	7.5
145.04929	5.4
145.06479	5.5
147.08047	3.8
147.11702	2.3
149.05972	2.5
151.03850	2.4
151.07495	8.7
153.07004	2.6
156.05710	23.2
157.06445	6.8
157.09950	1.6
158.07214	3.8
159.08052	19.3
160.05110	3.2
161.05974	4.2
161.09659	9.9
163.07530	2.2
165.05536	2.1
165.06990	2.4
165.09122	4.3
165.12767	10.9
167.07031	39.7
169.06403	3.7
172.05035	3.4
173.05992	3.3
174.06779	8.7
175.07529	15.6
177.05527	5.3
177.09035	1.8
178.07715	5.1
179.06990	1.8
181.06516	2.9
181.08517	1.8
184.05179	3.9
185.05943	1.7
186.06750	3.9
186.46390	1.7
187.07524	23.1
189.07056	2.9
189.09068	9.0
190.07739	3.9
191.08600	2.6
191.14290	27.3
193.10153	2.3
195.06438	2.0
195.08041	2.3
197.06039	2.7
201.09122	2.9
202.06215	6.9
202.07843	3.7
203.06958	2.6
203.08624	7.3
205.06657	2.9
205.08559	5.1
205.10161	3.9
206.07191	6.1
207.06294	2.8
207.08075	5.9
207.10057	2.1
209.15446	2.6
210.06804	1.7
211.07492	5.4
215.06847	3.0
215.08546	5.2
217.06738	3.3
217.08580	65.0
218.07236	10.7
219.08023	11.2
219.10049	3.9
221.09691	10.2
223.07466	3.5
224.04614	2.0
226.06232	5.5
231.08023	8.2
232.08739	6.6
233.09586	17.4
234.06694	10.1
235.07532	12.6
236.08232	2.3
237.05470	4.2
237.09010	2.8
239.07001	22.6
241.08617	16.3
242.05632	4.6
246.06738	7.8
247.07455	7.0
247.09669	25.4
247.13455	2.1
248.08240	4.5
249.09065	21.0
250.06169	2.1
250.09814	4.2
251.07034	8.7
251.10571	2.2
252.07761	13.1
255.06293	2.2
256.07309	2.2
257.08093	6.6
259.07587	2.1
260.08279	5.4
261.09106	22.9
262.06128	3.5
262.09711	3.4
263.07010	13.9
263.10687	2.0
264.07990	3.1
265.08563	4.2
266.09314	5.0
268.07306	1.9
269.08047	11.4
271.05960	7.9
274.06232	2.0
276.07913	2.7
277.08569	23.9
278.09366	15.0
279.06476	7.2
279.10077	3.8
280.07199	4.4
281.11746	8.0
285.07547	60.8
286.08182	5.3
289.08646	9.9
291.06650	2.5
291.10025	5.3
292.06995	2.2
292.10938	2.1
293.08047	7.1
293.11703	26.4
294.08920	3.3
295.09555	3.4
298.08432	3.1
300.09918	56.8
301.10651	18.5
306.08820	7.1
307.09564	8.4
309.11172	20.5
310.11844	2.0
311.08997	4.8
311.12436	2.0
313.10651	13.2
321.11169	32.7
322.11832	3.6
323.09000	10.4
326.11545	15.5
327.12115	2.2
338.11490	6.5
339.12201	5.2
341.13895	14.0
353.13861	52.4
354.14053	3.4
371.14874	24.4
371.20541	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	371.1485
Annotation	LMPK12070002
Peak:m/z	Relative Intensity
55.01858	3.0
55.05490	2.1
67.05489	3.4
69.61206	10.2
71.04979	2.1
79.05485	1.9
83.04957	3.3
91.05435	1.8
95.04947	1.6
105.07022	1.3
111.04436	1.2
115.05425	1.5
123.04360	1.4
141.06975	2.1
145.06445	2.4
152.06157	3.3
153.06996	4.3
155.08545	5.5
157.06407	1.5
161.06001	1.5
165.07005	5.1
167.04871	2.0
167.07010	3.9
167.08487	2.5
168.05707	3.0
169.06476	4.9
171.08054	3.1
173.05975	4.0
174.06667	2.5
178.07785	1.8
179.08574	4.2
181.06467	6.6
183.04330	1.6
183.08006	7.1
184.05177	5.1
184.08801	5.0
185.06000	2.0
189.06985	4.6
190.07777	3.8
191.08499	4.5
193.06422	2.2
193.10152	1.4
194.07355	2.2
195.08055	3.5
197.05960	9.2
198.06706	4.7
199.07533	5.2
201.05357	1.6
202.07747	4.9
203.08536	5.6
204.09320	2.8
205.06490	3.8
205.10098	6.7
206.07166	2.5
207.08020	5.7
208.05258	1.8
209.05922	5.7
209.09593	1.7
210.06752	3.6
211.03957	1.6
211.07570	6.7
212.04649	10.6
212.08249	9.4
213.05330	7.5
213.09019	3.6
214.06183	2.5
215.03322	1.6
215.06789	1.8
215.08594	13.5
217.06453	2.6
217.09995	2.2
218.07295	8.0
219.07986	9.1
220.05179	2.8
220.08623	2.1
221.05977	7.9
221.09631	3.6
222.06769	1.3
223.07510	7.2
224.08237	2.1
225.05412	4.1
225.09050	2.2
226.06151	8.5
227.06897	8.3
228.04132	3.6
229.04900	4.2
229.08527	4.5
231.08066	6.6
232.08824	7.3
233.05925	2.5
233.09535	14.1
234.06699	4.5
234.10376	2.2
235.07513	19.3
236.04691	1.8
236.08244	5.2
237.05478	6.8
237.09111	5.6
238.06239	3.9
239.07001	5.3
240.04147	5.1
240.07747	1.6
241.04915	3.7
241.08499	4.2
242.07408	2.6
243.06386	9.5
243.08144	11.7
244.06900	1.6
244.09023	2.1
244.11009	6.1
246.06844	3.6
247.07632	8.2
247.11197	7.2
248.04562	2.2
248.08224	2.4
249.05437	9.4
249.09003	8.0
250.06186	8.4
250.09856	3.9
251.07050	9.8
251.10814	7.8
252.07770	4.2
253.08490	2.9
254.05678	5.1
255.06436	10.5
256.07315	4.2
257.04398	2.4
257.07840	6.7
258.05267	4.4
259.07480	4.5
260.08316	13.2
261.09088	19.8
262.06400	1.8
262.09647	2.9
263.07010	19.0
264.07571	6.3
265.05035	4.5
265.08582	10.0
265.12238	4.4
266.05719	4.6
266.09381	1.7
267.06409	4.4
267.10059	2.5
268.07208	2.2
269.08044	10.7
271.07599	16.5
272.08417	2.6
273.07388	15.5
274.06094	2.9
275.07169	3.2
275.10651	19.1
277.08649	8.3
278.06161	2.1
278.09311	7.5
279.06500	4.9
279.10123	12.0
280.07269	6.6
280.10410	2.4
281.08057	21.4
281.11179	2.3
282.08774	7.1
283.06137	2.3
283.09653	4.1
284.06924	1.5
287.09247	22.0
288.07806	4.6
289.08557	48.8
290.09280	11.8
291.06750	1.5
291.09927	2.7
292.10950	1.7
293.08145	9.1
293.11716	35.4
294.12222	2.3
295.09576	15.2
296.10345	4.0
297.07947	1.8
297.11182	17.6
303.10129	20.2
303.13214	1.8
304.10724	3.0
305.08038	4.6
306.08862	9.6
307.09543	5.8
309.11029	1.6
310.11942	1.7
311.09198	2.7
311.12692	6.5
312.09839	2.1
313.10703	4.6
320.10306	1.8
321.11182	100.0
322.11676	8.6
323.09027	5.0
324.09610	1.4
325.14261	15.5
327.12100	1.6
335.12790	12.1
338.11295	6.8
339.12296	21.9
340.12747	2.0
353.13803	64.5
354.14444	2.1
356.12619	2.0
371.14865	46.3
372.15305	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	371.1486
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
50.58783	1.9
52.55298	2.0
55.01849	2.9
55.05490	5.8
67.05484	3.7
69.03410	3.3
69.07047	2.5
71.71122	3.4
73.04749	2.5
78.04674	2.7
79.05089	2.0
79.05485	12.3
81.07033	5.8
83.04962	3.1
91.05406	7.5
91.05833	7.3
93.07037	3.4
94.04173	4.9
95.04966	2.9
97.02891	2.2
100.11237	3.5
103.05434	6.4
105.07022	6.1
107.04940	19.7
107.08566	4.1
109.06487	4.4
111.04426	3.5
115.05432	6.9
116.06211	3.0
119.08560	2.4
121.06505	3.6
122.03622	7.8
123.04395	4.4
124.05170	3.1
125.05920	2.3
128.06183	4.7
129.05449	3.6
129.06990	13.2
131.04890	5.5
131.08568	10.6
133.06444	3.2
137.05960	100.0
138.06325	2.2
139.03879	4.2
141.07004	5.3
144.05684	6.0
145.06491	3.2
145.10068	3.4
147.04425	2.7
147.06490	2.7
149.05948	3.6
151.03830	6.7
151.07512	4.7
153.05367	4.4
156.05699	22.8
157.06290	6.9
159.08044	21.5
160.05161	2.6
161.05960	8.8
163.03844	2.5
163.07515	4.6
165.07063	2.8
167.07025	45.9
169.06445	2.8
172.05162	4.6
173.05949	2.9
174.06715	5.4
175.07512	13.3
177.05478	4.6
178.07718	4.6
179.06984	2.6
181.06490	3.3
184.05151	2.2
186.06830	3.0
187.07544	18.4
189.07059	3.8
189.09088	7.7
190.07687	5.0
191.06981	4.2
191.08600	4.4
193.08583	3.9
194.07239	3.6
195.08073	3.4
197.05913	3.5
198.06712	3.2
199.07536	3.2
202.06195	7.4
202.07802	4.0
203.06888	2.7
203.08551	10.3
205.06480	5.9
205.08513	6.0
205.10211	4.0
206.07213	7.4
207.08025	6.1
209.06020	3.5
209.07866	2.4
211.07535	4.7
215.06818	3.7
215.08566	6.9
217.06586	3.5
217.08563	63.0
218.07280	15.8
219.07953	7.5
219.10162	6.9
221.06041	3.6
221.09599	7.9
223.07480	5.7
223.89120	2.3
224.08344	2.4
226.06050	2.6
229.08536	3.0
231.07993	9.6
232.08781	6.5
233.06004	2.8
233.09593	15.9
234.06712	11.1
235.07552	14.6
236.08223	4.2
237.05481	2.6
237.08961	4.7
238.09976	4.0
239.06963	14.5
239.10593	2.7
241.08519	14.0
242.05649	2.7
246.06735	5.0
247.07454	8.3
247.09634	22.0
248.08282	5.4
249.09058	24.6
250.06178	3.6
250.09782	6.6
251.06975	7.6
251.10689	3.2
252.07834	10.5
253.08487	3.0
255.06544	3.8
257.08057	5.4
260.08279	5.9
261.09018	22.2
262.06247	2.9
262.09772	3.4
263.07028	13.3
263.10660	4.8
264.07727	6.8
265.08533	9.5
266.09335	8.2
269.08041	7.2
271.05829	3.5
274.06131	3.4
277.08566	23.5
278.06317	2.4
278.09216	13.6
279.06442	6.9
279.10013	5.6
280.07190	8.9
280.10553	2.7
281.08130	5.7
281.11713	8.6
283.09500	4.8
285.00909	5.8
285.07562	28.9
289.08667	13.0
290.09274	2.3
291.10040	4.8
292.07294	3.6
292.10587	3.4
293.08057	7.3
293.11664	27.0
294.08844	4.0
295.09604	5.4
296.10324	6.6
297.07565	2.7
300.09909	36.0
301.10745	13.6
306.08844	8.2
307.09473	7.6
309.11130	22.8
311.09052	6.6
311.12485	5.0
313.10501	12.4
321.11127	31.3
322.11792	4.2
323.09140	6.5
326.11432	20.5
327.12109	6.9
338.11337	6.4
339.12274	38.3
340.12872	4.7
341.13855	13.1
343.15567	3.0
353.13782	59.2
354.14120	4.8
371.07498	3.3
371.14856	45.6
372.10767	2.2
372.15256	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	371.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28783	21.3
56.40657	22.4
63.43441	22.0
65.34516	20.2
70.36922	100.0
87.16972	19.3
99.94325	21.3
111.11997	20.9
125.44607	20.6
126.71009	21.1
142.68074	19.7
142.93309	19.7
143.54898	21.9
154.24922	20.1
255.66911	21.5
296.56128	25.4
298.69287	22.1
364.90344	20.8
371.03448	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
61.02906	2.4
68.86091	1.9
69.03410	9.3
70.06586	4.7
71.71864	2.1
73.04747	3.7
79.05488	2.6
81.03400	3.8
84.08107	2.7
85.02900	18.2
88.03965	3.2
91.05395	6.7
91.05788	13.8
93.38667	2.0
95.04959	13.8
96.04472	7.1
97.02886	6.7
99.61780	2.0
103.05396	2.6
107.04951	48.4
113.02396	2.1
117.07005	4.0
119.04883	3.8
119.08550	11.9
121.06487	6.2
123.04420	60.1
127.03914	5.8
132.05638	4.2
145.06468	16.0
147.04393	20.0
147.06789	7.1
147.08028	84.4
148.07538	7.7
149.06068	2.4
153.93977	2.4
162.09116	20.6
165.05492	28.3
173.05933	4.5
190.05034	4.3
190.08621	100.0
191.07008	8.0
191.08850	4.8
206.10313	3.6
208.09676	84.8
209.10083	3.7
250.10489	2.3
268.97806	2.3
285.00894	6.7
327.88116	2.3
355.07013	3.2
370.14944	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76180	6.6
57.13023	8.1
69.03412	17.4
69.71857	52.3
70.06573	12.3
73.04752	22.0
85.02898	29.5
91.05817	86.8
107.04954	55.3
119.08596	9.9
121.06448	15.3
123.04408	54.2
127.03906	14.3
143.04613	10.0
145.06444	12.6
147.04404	63.5
147.08012	67.3
148.07599	10.0
162.09146	26.2
165.05455	21.4
167.05475	9.7
190.08623	92.5
208.09692	100.0
210.02211	55.0
224.77455	8.8
268.97888	27.7
285.00983	27.2
355.07089	19.6
370.14862	61.5
371.03940	18.4
392.89011	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	369.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01862	5.3
55.05499	3.2
65.03930	3.0
67.01845	1.7
67.05495	6.5
69.03408	2.2
69.07054	4.8
71.71352	1.5
79.05470	5.7
81.07052	6.5
83.01336	5.0
83.04960	6.4
91.05469	100.0
92.05805	2.3
93.07020	5.0
95.04962	4.1
95.08602	3.3
97.06546	2.8
99.00808	1.8
103.05463	2.1
105.07017	11.7
107.04935	1.7
107.08587	4.4
109.06514	3.4
109.10132	1.4
111.04436	1.8
115.05437	12.5
117.07005	75.1
118.07340	1.2
119.08566	6.1
121.06505	6.2
121.10158	1.3
123.04416	6.1
123.08088	1.4
128.06195	2.1
129.07002	5.4
130.07770	1.1
131.04906	3.9
131.08510	2.4
133.06487	2.9
133.10098	3.4
135.04420	1.6
135.08034	1.9
137.09636	1.2
139.03889	23.1
141.05487	2.0
141.06975	2.4
143.08572	2.6
145.06479	2.6
145.10092	4.7
147.04388	2.1
147.08006	5.2
149.05974	9.2
149.09639	2.2
151.03905	4.1
151.07539	1.9
155.03387	1.6
155.08574	2.6
157.06447	2.8
157.10094	1.9
158.07268	2.0
159.08113	1.6
161.09625	2.3
163.03911	1.8
163.07536	3.7
165.05411	1.6
165.09109	1.7
167.03383	10.5
167.08464	1.1
168.04204	4.6
169.04944	11.5
169.06329	1.9
173.05994	1.5
173.09575	4.3
175.04015	1.1
175.07538	7.8
175.11191	2.4
177.05437	2.9
177.09148	1.6
179.03374	2.3
179.08499	2.8
180.04189	5.3
183.08139	1.4
185.04382	2.3
191.07076	1.6
191.10593	2.3
193.04977	1.8
193.08606	4.9
193.73946	1.2
197.09602	2.1
201.05319	1.1
201.09126	9.0
202.09354	1.2
203.06996	1.9
203.10663	21.8
205.04970	3.2
205.08646	1.7
217.08786	1.2
219.10107	10.3
225.09100	3.9
229.08571	18.2
247.09622	26.9
253.08623	10.1
255.10107	1.1
265.10757	1.7
271.09607	51.1
272.10089	4.0
305.15234	1.6
323.16296	3.3
333.14752	4.0
351.15836	8.3
369.16901	16.6
369.24103	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	369.1694
Annotation	Louisfieserone A
Peak:m/z	Relative Intensity
53.03944	1.5
55.01851	3.1
55.05499	2.4
56.42875	1.3
57.03415	2.4
65.03929	4.1
67.05495	6.4
69.03403	2.1
69.07062	2.7
70.83514	2.7
70.83848	2.7
71.04995	2.4
72.03488	1.4
79.05478	4.4
81.07051	5.3
83.01338	9.2
91.05476	100.0
93.07022	7.2
93.22807	1.5
95.04964	5.8
95.08601	2.1
97.06518	4.7
103.05499	2.4
105.07014	9.1
107.08606	3.0
109.06504	2.6
115.05444	11.8
117.07009	88.2
118.07333	1.6
119.04988	1.8
119.08569	5.8
121.02926	1.8
121.06507	4.9
121.10114	2.9
123.04471	1.9
123.08076	2.5
125.05997	7.1
128.06151	2.9
129.07004	9.9
131.04927	1.8
131.08560	5.2
133.06529	2.2
133.10117	5.2
135.08043	4.6
137.05971	1.6
139.03906	6.7
141.05438	1.9
141.06973	7.8
143.08533	7.8
145.06465	3.2
145.10114	5.6
147.08066	10.9
149.05983	7.0
149.09583	2.9
151.03896	6.5
153.06946	2.2
155.08551	3.2
157.06410	2.3
159.08049	2.2
163.11159	2.5
165.06979	4.7
165.09077	7.5
167.08530	9.2
168.04108	1.8
169.04976	3.3
169.06367	1.6
173.09601	7.0
175.03899	1.9
175.07539	8.0
177.05504	4.8
179.08533	16.3
181.08664	1.6
181.10156	3.6
183.08043	2.8
183.10095	2.3
183.11665	3.6
186.06795	2.0
187.07512	1.7
191.06993	4.6
191.10622	4.2
193.08604	7.4
201.09096	20.0
203.06963	9.7
203.08656	2.1
205.08578	4.6
207.08069	2.5
207.11742	3.4
209.08086	3.1
209.13226	7.4
215.08543	2.5
216.09427	3.3
217.10234	3.0
219.10075	17.2
219.11829	1.6
221.08051	4.9
221.13200	4.8
229.08530	17.4
231.11737	2.0
247.07101	2.1
247.09633	42.1
248.08154	7.4
249.09045	2.9
249.12749	5.5
251.10684	1.9
259.14816	2.0
263.10687	16.6
265.10712	2.7
271.09674	3.6
275.10391	1.8
277.12283	7.5
277.15625	1.5
287.14294	3.9
295.13293	26.0
305.15421	17.5
307.13049	2.4
315.13791	4.7
323.16394	6.0
325.14374	6.2
333.14804	26.8
334.15295	3.0
351.15869	29.1
352.16180	2.9
369.12427	3.1
369.16916	29.2
370.17212	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98618	4.4
53.03936	9.0
54.04050	4.6
55.05503	28.7
56.42989	4.7
57.07072	12.5
67.05501	68.6
67.28564	4.9
69.03409	9.4
69.07064	33.5
71.04962	5.4
71.72736	5.9
79.05482	45.7
81.07046	70.1
83.08602	5.9
83.23120	4.8
85.45512	4.8
91.05471	70.7
93.07033	96.1
95.04967	47.9
95.08591	67.5
97.06510	19.3
104.89373	5.6
105.07018	94.8
107.04929	6.4
107.08583	64.0
109.06503	14.0
109.10146	50.1
110.26277	5.2
111.08041	7.9
115.05450	7.4
117.06976	33.3
119.08571	100.0
121.06487	12.8
121.10140	65.1
123.11663	19.4
128.06215	10.8
129.06953	27.6
130.07777	12.0
131.08548	53.7
133.10118	59.9
135.08032	21.0
135.11661	21.0
137.09613	7.5
141.06966	6.7
142.07762	21.2
143.08539	44.1
144.09334	17.9
145.10124	70.0
146.07239	10.6
147.08046	16.4
147.11627	25.9
149.09615	21.7
155.08551	14.6
156.09329	18.4
157.10130	56.3
159.08098	8.6
159.11664	45.1
161.09599	47.0
161.13219	12.8
163.11156	9.2
165.06943	7.9
167.08530	10.6
169.10133	25.0
171.11655	33.4
172.12471	7.9
173.09668	9.0
173.13226	27.0
175.03967	5.5
175.11240	12.4
175.14786	28.8
179.08629	8.2
181.10097	9.9
183.11668	28.0
185.13269	20.4
187.14796	16.6
194.10716	6.0
195.11696	14.9
197.13264	21.2
199.14859	11.7
201.12738	6.8
201.16426	5.7
207.11655	6.5
209.13258	23.4
211.14793	9.3
221.13173	5.6
223.14806	8.4
227.14297	19.7
255.17274	8.2
349.25201	12.7
367.26285	18.5
367.30771	10.1
394.69739	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	367.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01853	2.8
55.05505	21.8
57.07074	11.6
65.03934	4.9
67.05504	42.4
69.03416	7.2
69.07060	22.6
70.97542	2.8
70.97873	3.6
71.04995	4.8
71.08614	2.5
73.52467	1.9
79.05483	33.6
81.07048	44.3
83.04972	6.4
83.08596	8.8
85.06548	5.2
91.05472	51.6
93.07035	60.9
95.04961	32.8
95.08595	56.9
97.06512	10.7
103.05454	3.3
105.07018	83.2
107.08589	55.6
107.09179	1.3
109.06524	14.6
109.10147	35.0
111.08067	2.7
115.05460	5.2
116.06269	3.2
117.06998	20.4
117.95171	2.2
119.08567	100.0
120.09330	2.5
121.06480	11.7
121.10139	44.4
123.08044	6.1
123.11688	14.7
128.06264	11.1
129.07021	16.6
130.07779	7.1
131.08557	45.1
133.10117	56.2
135.08008	13.6
135.11682	18.7
137.09595	3.8
139.11223	2.2
141.06981	7.0
142.07771	21.5
143.08551	34.7
144.09328	11.8
145.10114	59.3
146.07249	7.4
147.08054	11.0
147.11685	18.4
149.09601	15.0
149.13210	3.7
153.06956	3.8
155.08571	12.8
156.09343	12.6
157.10126	50.4
158.10887	7.3
159.08063	6.1
159.11693	32.8
161.09613	34.8
161.13257	7.3
163.11163	6.5
165.06987	3.9
167.08528	7.9
168.09319	5.3
169.10136	20.6
170.10883	7.3
171.07858	2.4
171.11697	29.0
172.12431	3.0
173.09647	6.1
173.13263	25.3
175.11185	7.1
175.14815	17.5
177.12708	4.8
179.08536	7.5
180.09290	3.5
181.10085	11.7
182.10886	5.3
183.11681	21.3
184.12367	5.2
185.09560	4.0
185.13220	15.4
187.11156	2.6
187.14783	13.7
189.12709	5.2
189.16452	2.9
192.09261	3.6
193.10115	5.8
194.10934	7.1
195.11641	12.2
196.12453	4.4
197.13234	17.3
199.11171	3.9
199.14813	15.1
200.15514	2.7
201.12733	6.1
201.16370	7.8
203.14320	2.5
207.11688	4.0
208.12431	2.8
209.13257	19.0
210.13977	5.1
211.14798	6.2
213.12778	6.2
213.16325	4.5
217.15936	2.9
219.11629	2.9
221.13255	3.9
222.14008	2.5
223.14807	5.9
225.12694	2.8
225.16270	4.0
227.14339	15.2
231.17424	2.6
233.13080	2.6
235.14908	3.7
237.16360	3.6
239.17931	8.2
241.15796	3.7
253.19571	3.0
255.17529	6.0
257.18948	5.1
265.19479	3.9
267.17291	4.2
269.19006	5.8
275.17874	3.6
283.20554	3.8
349.12653	2.0
349.25192	10.6
367.26187	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	367.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.0
69.70682	1.8
82.99885	0.3
86.37643	0.2
98.97574	1.6
101.00864	0.7
116.98614	2.3
119.01104	0.5
119.01909	7.1
120.02013	0.4
129.92712	0.3
134.99663	2.2
137.02933	3.8
140.98866	0.4
142.03435	0.3
153.00824	0.9
158.99913	0.9
177.00943	17.3
178.01028	1.6
179.00734	1.2
182.99886	0.7
195.02017	0.6
200.02516	0.7
201.00958	0.9
202.34546	0.3
208.08556	0.3
217.04091	2.9
219.01997	24.2
220.02071	2.3
221.01747	1.6
222.01857	0.5
225.00839	2.6
234.99974	0.6
235.99971	0.5
236.99721	0.5
242.03572	1.2
243.01921	5.2
244.01828	0.3
258.97290	0.3
258.99954	1.2
260.00070	0.8
260.04706	0.4
261.03046	100.0
262.00372	0.5
262.03156	7.8
262.99915	0.6
263.03006	3.2
264.02890	0.3
266.03439	0.5
275.04587	0.4
277.00922	2.0
278.01135	1.3
279.01019	1.4
280.00760	0.4
281.00717	0.6
283.00037	1.1
284.00089	1.6
284.04623	7.8
284.99820	1.5
285.04803	0.8
286.99612	1.3
292.98944	0.4
300.97684	0.5
301.00946	3.0
302.01102	3.7
303.00839	2.7
304.01108	0.7
305.00696	2.8
307.06216	0.5
312.48047	0.3
319.02023	0.5
320.02145	0.5
325.02655	0.4
326.01736	0.5
338.91776	0.3
342.01938	0.4
342.95102	1.0
343.01999	1.0
343.95547	0.4
344.02274	1.4
352.45795	0.6
352.95624	1.0
354.93521	0.4
355.93820	0.3
356.93399	0.6
357.93475	0.4
360.96097	0.4
361.46030	0.8
361.95938	0.8
362.03323	0.5
362.45886	0.5
364.46500	0.6
367.02188	1.1
373.46619	0.4
374.94403	0.4
384.96555	0.7
385.03070	5.2
386.02835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	8.0
61.86592	3.2
65.03919	7.2
70.06555	3.3
71.71954	4.5
74.50217	3.4
78.03773	3.7
86.09666	3.5
92.73864	3.2
93.03403	4.7
95.04930	3.1
98.97563	3.9
107.04974	4.4
111.04441	41.5
116.98595	3.5
120.08088	6.4
123.04422	61.5
127.03927	17.7
131.04906	4.2
135.04405	100.0
136.06168	3.9
137.02332	6.6
139.02867	5.9
139.03893	81.9
149.02359	7.6
151.03883	40.5
159.04417	3.8
163.03897	31.5
173.05910	4.6
179.03334	3.8
190.10844	8.2
197.05956	3.5
201.05544	3.4
234.13486	6.6
237.02789	4.2
259.06027	3.5
261.07578	10.9
263.08524	5.3
271.05908	19.9
289.07104	35.4
366.05954	12.8
366.11243	16.0
367.07040	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	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11681	1.9
52.00806	2.0
55.05490	3.8
55.22728	2.0
55.39910	1.9
58.85007	2.0
60.46012	2.0
67.05495	15.5
69.03429	3.7
69.07066	2.7
71.04984	28.6
71.08751	4.4
79.05476	4.8
81.03408	2.2
81.07063	12.3
84.04503	3.8
85.02901	4.2
85.06536	54.1
91.05462	12.2
93.07032	7.3
93.28692	2.0
97.02932	2.6
103.15840	2.5
105.07006	14.9
107.08591	14.7
109.10151	23.2
123.11678	5.9
131.04913	3.8
133.10126	54.7
144.06537	5.7
151.11166	42.0
159.04424	5.6
161.06047	2.4
165.78511	2.2
169.12234	43.5
187.13278	100.0
188.13704	2.5
265.03723	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	365.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53846	1.0
65.34417	0.9
67.05489	1.3
69.07063	1.2
70.06559	1.0
70.45541	0.9
71.04987	1.2
71.70262	1.8
79.05492	1.8
85.02919	0.9
90.30903	0.9
90.51852	1.0
95.08595	1.2
97.06487	1.3
98.06017	1.4
117.06991	1.1
120.04453	1.3
122.06004	2.3
136.07576	1.2
138.05495	3.0
140.07066	2.5
148.03905	1.9
148.07561	6.1
160.07602	1.4
161.05971	4.5
166.04994	5.6
168.06543	3.1
171.09212	1.6
172.07556	3.0
174.05566	1.1
174.09166	2.9
175.08733	6.7
176.07068	9.7
178.08667	1.5
185.07166	1.4
186.05447	1.3
189.10213	5.4
190.08612	3.3
194.08165	1.7
196.07544	2.0
198.07712	2.1
198.09285	1.6
199.08710	7.5
200.07066	4.9
202.08636	3.4
203.08217	18.4
204.06575	2.1
204.08527	1.1
213.10191	4.4
214.08640	1.9
215.11816	2.0
216.10179	1.3
217.09798	16.0
218.08154	1.7
219.11218	1.1
223.08929	1.1
224.07114	1.6
227.08163	16.4
228.06532	3.2
228.08667	1.1
229.09607	2.7
230.08200	1.4
231.07683	1.3
231.11250	1.1
235.10818	4.2
241.09750	8.1
242.08136	4.5
243.11290	1.2
245.09224	50.0
246.07579	2.2
246.09816	2.3
247.10812	3.2
250.07071	1.3
259.10779	10.8
260.09238	1.2
263.10260	31.0
264.10565	1.1
269.09195	3.5
271.10800	1.2
273.08566	6.0
287.10275	23.4
289.11844	2.7
290.76230	1.0
291.09772	8.8
305.11304	86.2
306.11685	3.7
315.09784	3.1
323.12363	35.3
324.12650	1.6
333.10748	20.2
347.12692	1.1
365.13452	100.0
366.13708	3.4
378.12903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
66.71799	0.7
67.05489	1.1
69.03415	0.8
69.07053	1.0
70.06579	1.1
71.02330	1.7
79.05478	1.1
81.07054	1.1
84.04491	0.9
86.85406	0.6
94.06575	0.8
95.04952	1.7
96.04493	0.8
97.06525	0.8
98.06035	0.9
105.07011	1.2
107.04939	0.8
108.35835	0.8
119.08601	0.9
120.04456	1.5
120.08073	0.8
122.06003	2.5
125.25403	0.7
133.10161	0.8
134.06058	0.8
137.05978	1.5
138.05476	3.5
140.07048	2.2
147.08035	1.0
148.03932	2.0
148.07556	6.0
150.05569	1.1
151.07593	1.0
156.08060	0.9
158.06000	1.2
159.04398	1.0
160.07506	1.3
161.05978	4.2
161.07146	1.1
166.04979	6.4
168.06598	1.7
168.07974	0.9
170.09729	0.9
171.09213	1.2
172.07581	2.5
174.09175	3.1
175.08701	6.2
176.07036	8.8
176.09467	1.1
178.08606	1.3
185.07117	1.2
185.10794	1.0
186.09212	1.0
188.10747	0.7
189.06570	1.2
189.10278	4.5
190.08638	1.9
196.07669	1.5
198.07634	1.4
198.09233	1.1
199.08707	8.9
200.07083	5.4
200.09058	1.2
201.10233	0.9
202.08653	3.0
203.08182	20.8
204.06569	2.3
213.10243	5.3
214.08611	2.7
216.10278	1.8
217.06378	1.4
217.09767	17.6
218.08145	1.8
218.10260	1.1
224.06969	1.6
227.08170	18.4
228.06508	2.3
228.08627	1.4
229.09651	2.2
231.07700	1.3
231.11290	2.1
235.10789	4.3
241.09706	8.7
242.08051	5.7
243.11252	1.2
245.09221	53.6
246.07463	1.7
246.09760	1.4
247.10776	2.1
250.07076	1.7
259.10776	10.1
260.30209	0.8
263.10242	27.0
269.09286	4.3
270.07419	1.0
271.10690	1.5
273.08710	3.5
277.11798	1.7
287.10239	24.8
289.11819	1.4
291.09756	6.7
297.09070	0.8
305.11292	93.9
306.11664	3.3
315.09708	3.6
323.12354	25.6
324.12817	1.2
333.10754	17.3
347.12299	2.1
365.13419	100.0
366.13864	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74897	1.5
55.20108	1.4
55.30062	1.5
57.99408	1.4
61.85265	1.7
63.92217	1.4
66.29826	1.4
70.08549	8.3
93.30717	1.5
127.41115	1.4
178.56406	1.4
179.25580	1.7
185.04213	30.2
187.71211	1.8
203.05263	81.5
259.32602	1.7
305.97800	1.8
365.10541	100.0
366.10944	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	365.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96306	4.0
56.96558	51.9
58.44292	2.3
70.06613	2.8
71.23769	6.9
84.96021	6.6
98.97578	34.1
102.05523	2.4
110.97591	13.4
116.98615	27.1
121.38746	2.1
128.98582	23.2
131.00128	2.9
134.99664	11.6
141.89032	2.3
143.00093	6.0
146.99687	13.6
157.99797	2.2
158.99649	2.5
161.01196	10.4
170.81520	2.4
170.99663	5.4
177.00658	5.1
179.02226	5.7
189.00781	4.4
195.03258	5.1
201.00745	2.9
203.00116	2.9
205.34583	2.5
209.01198	5.4
211.02780	2.6
213.04289	21.6
219.01729	14.0
231.05386	3.1
237.02768	33.7
239.02237	42.6
255.03766	4.6
257.03308	23.1
263.08624	5.5
275.02264	3.2
289.07266	2.7
365.05548	100.0
365.10489	5.0
366.06158	5.0
366.10922	5.5
383.06525	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	364.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	27.8
56.06818	2.3
56.96573	13.3
57.03431	2.9
57.07066	6.8
59.05007	3.5
67.05486	4.2
69.03097	3.7
69.03429	35.8
69.07060	8.5
70.02952	4.9
70.06571	3.0
72.04504	23.2
73.02896	9.4
81.03394	6.8
83.04987	3.2
85.02895	18.2
85.06530	9.1
86.09690	3.3
90.05007	4.2
90.05547	78.6
95.04955	6.9
97.02898	11.9
98.02409	12.6
98.97549	4.9
99.04438	4.4
100.03962	3.7
103.07566	4.9
109.02868	22.7
113.06006	6.0
116.03449	23.7
124.07615	17.6
127.03903	28.3
130.08601	2.2
134.99661	3.4
139.03882	23.5
142.08624	14.3
145.04910	4.7
146.97763	2.5
160.09723	5.5
166.08617	2.9
168.06500	3.5
174.11276	9.6
181.05011	3.9
184.09680	30.0
185.04227	7.6
187.06056	3.1
199.06000	18.2
202.10719	100.0
203.05246	15.9
204.03180	5.7
205.06944	4.0
208.06029	3.1
217.07050	32.4
219.01666	2.8
220.11777	47.3
222.04396	3.9
229.67123	5.3
234.04369	5.9
234.09721	35.2
237.02820	5.1
252.05463	4.0
261.05466	5.9
262.03958	5.2
273.28052	2.5
279.06403	4.5
280.04794	2.4
305.02863	2.7
323.10016	7.2
341.01013	9.0
341.99271	3.8
346.14874	13.5
359.02121	7.8
364.15927	37.6
365.06140	4.8
365.10458	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.6
56.05000	1.6
56.96555	6.1
59.07650	1.5
59.76361	1.2
67.05499	1.6
68.07823	1.5
69.03413	4.5
71.47410	3.8
72.25219	1.2
73.02920	2.2
73.33510	1.4
74.95447	1.4
84.04527	1.8
85.02895	8.3
95.04954	2.4
97.02905	3.2
98.97575	4.4
99.04427	2.5
103.54896	1.5
116.68626	1.6
116.98627	4.5
127.03879	2.2
134.99634	1.9
136.06160	3.0
139.03888	100.0
140.04213	1.6
141.69183	1.4
145.04869	1.6
152.14421	1.6
153.01802	2.4
155.30234	1.4
161.01178	1.7
167.03401	38.6
177.00711	2.0
182.03389	1.6
185.04430	58.3
186.04675	2.3
191.03874	3.0
202.03043	2.9
203.05287	6.7
209.59535	1.5
234.04318	2.1
237.02824	2.6
241.00356	1.8
259.01328	1.6
309.55386	1.5
365.10501	14.8
385.11179	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	78.6
59.82842	5.0
61.61020	5.9
66.89029	5.0
69.03422	11.0
71.49394	13.6
72.04511	8.2
81.03392	8.8
85.72340	5.8
90.05536	18.7
97.02872	9.5
109.02859	10.6
120.43954	5.7
124.07545	8.7
127.03939	8.7
127.78696	5.5
130.06534	7.0
139.03865	15.6
168.01772	4.9
178.96303	5.5
192.03334	15.1
201.96964	13.7
202.10739	12.6
204.03328	29.8
206.04884	39.3
213.68059	5.3
216.03307	25.4
217.06839	7.3
218.04926	17.0
220.11816	9.2
222.04384	28.0
224.05919	17.8
234.04390	60.2
235.07161	6.8
236.06107	5.2
237.73758	6.5
246.05655	5.1
250.03757	6.0
252.05444	28.9
261.05423	42.6
262.03836	32.6
279.06445	38.1
280.04907	19.4
297.02066	10.7
315.03183	15.5
316.01596	7.7
341.01123	100.0
341.99335	34.9
359.02148	69.6
364.16827	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	364.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
55.01881	1.3
56.96552	1.3
60.04522	2.0
65.03938	2.7
67.05482	1.8
68.99784	3.3
69.03414	3.0
71.71722	1.3
79.05524	1.6
80.05022	1.8
81.03387	2.2
83.04976	1.2
84.04494	4.2
88.06939	1.1
93.03332	1.2
95.04974	1.9
96.04513	1.1
97.02861	1.8
100.03992	1.3
107.04945	3.8
108.04491	1.1
109.02882	2.1
111.04435	4.6
112.03989	1.2
112.07591	1.2
116.98637	1.6
121.02854	3.6
122.06016	2.1
123.04416	5.5
124.03956	2.3
126.05520	5.5
127.03905	4.2
128.98561	1.1
131.04886	1.4
133.02875	2.2
134.05997	2.2
135.04413	4.8
136.03938	2.2
137.02312	1.1
137.05946	1.5
138.05453	4.6
139.03886	100.0
140.03383	3.6
140.04326	1.5
142.05005	2.1
142.59537	1.2
146.06044	1.8
147.04385	2.9
148.03935	5.5
149.02348	9.4
150.05502	3.3
151.03891	9.4
152.07037	2.5
153.01851	3.7
153.05409	1.7
154.04982	33.1
155.03369	11.8
159.04405	1.3
162.05492	4.5
163.03896	22.6
164.07065	1.5
165.01779	1.1
165.05492	3.3
166.04979	21.1
167.03391	2.9
168.06552	6.4
169.05040	1.7
173.05940	1.6
175.03960	2.2
176.07008	1.8
177.05559	2.9
178.05006	11.1
179.03409	11.1
180.06535	26.8
181.04964	4.2
182.08133	1.3
184.06029	3.8
187.03996	1.2
189.05511	2.2
192.06517	3.1
193.04959	3.1
193.07365	1.2
195.72713	1.1
196.06058	17.6
197.04466	1.1
199.03931	1.7
201.05421	1.7
203.03459	1.4
204.06479	2.7
205.04962	1.4
205.07404	1.9
208.06036	19.8
210.07652	2.0
213.05496	2.2
217.05119	1.7
220.05986	1.1
222.07703	1.9
227.03297	1.2
233.04404	1.5
241.04967	3.5
245.04526	1.8
246.11261	1.2
259.05844	1.7
269.04575	2.1
277.07312	1.2
283.05786	1.3
285.03754	1.3
286.07043	2.0
287.05554	5.4
300.08560	1.5
302.10291	2.0
303.04987	1.5
304.08130	2.8
305.06464	2.5
310.07248	1.2
311.05554	1.5
322.09299	5.9
328.08112	3.4
346.09225	8.1
347.07535	2.0
364.10226	16.4
364.17679	1.2
365.05438	3.9
384.83212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	66.0
57.03434	34.4
57.07074	27.7
57.07587	29.0
59.28515	32.4
59.41935	23.1
67.05489	79.8
69.07051	66.2
71.71392	35.3
76.27486	24.2
79.05497	67.2
81.03416	40.5
81.07037	100.0
83.08627	61.1
91.05463	73.8
93.07059	59.8
95.08585	50.6
97.10143	51.9
99.08746	28.8
105.07054	53.0
107.08609	46.0
109.10181	31.4
117.07015	46.8
119.08556	67.8
121.06472	26.5
121.10112	36.1
133.10052	45.1
135.08064	37.2
135.11699	36.2
147.11696	37.7
248.55281	25.2
249.16655	37.5
285.10144	61.4
327.25339	57.1
345.26114	35.9
363.21826	35.3
363.27100	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10248	17.9
55.05495	53.4
55.98399	20.0
61.02905	22.7
63.08104	17.7
67.05483	64.5
69.03423	36.2
69.07061	65.9
71.71619	35.9
79.05482	47.2
81.03411	40.1
81.07035	73.2
83.08589	53.1
91.05456	48.7
93.07013	60.0
95.04950	39.1
95.08605	76.0
97.10154	24.5
105.07014	27.6
107.08585	57.0
109.10120	36.6
117.94710	19.0
119.08590	49.6
121.10126	30.0
130.23126	22.8
135.11700	34.2
210.75757	18.8
235.20729	21.7
243.08772	25.4
267.09030	40.0
285.10147	64.3
327.25354	100.0
364.17404	27.3
388.01471	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	362.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
60.04488	1.5
71.70518	1.3
71.70959	1.0
81.07030	1.1
84.04498	1.9
84.08127	1.2
84.28453	1.0
84.74931	0.9
86.43861	1.4
91.03837	1.2
102.05510	1.2
107.04934	2.7
130.05009	1.4
139.03871	2.2
149.05936	1.5
154.00961	1.1
165.06996	8.8
167.08501	1.6
168.05670	1.4
168.83249	1.0
169.06381	1.2
171.04468	1.4
178.07773	2.6
179.08517	11.2
181.06487	1.8
183.08037	22.6
187.03940	1.6
189.06992	5.3
191.08574	1.9
193.06459	4.0
194.07251	3.9
195.08092	2.0
197.05927	1.5
199.03859	2.3
206.07353	1.2
207.08031	65.6
208.08405	3.1
209.09619	2.8
211.07521	16.5
212.08083	1.3
215.03366	2.5
217.06485	10.0
218.07260	2.5
221.05946	9.9
223.07535	9.3
225.09035	3.2
227.03365	2.5
234.06750	1.3
235.07524	100.0
236.07961	3.7
237.09102	2.7
239.07011	30.6
240.07440	1.3
243.02954	2.4
245.04521	1.4
253.08589	96.7
254.08990	3.2
255.02846	2.9
257.08109	2.6
259.11020	3.3
261.04010	1.2
263.07019	4.0
270.11063	2.2
271.02313	3.2
273.04022	2.5
281.08069	23.1
289.03430	2.0
298.10770	2.2
299.01831	4.5
299.09122	32.2
301.03400	7.1
307.60684	1.2
316.11768	21.2
327.01096	1.9
327.08478	1.8
344.11307	1.7
345.02481	18.4
345.09497	7.5
354.55917	1.3
362.12296	56.0
363.12726	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	362.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
60.04514	1.0
61.02927	0.8
67.05475	1.0
69.03432	1.8
71.70058	1.9
81.03398	1.4
85.02900	10.4
86.93410	1.0
91.05475	2.1
97.02898	3.1
107.04932	1.7
109.02872	1.3
109.06505	0.9
109.10160	3.8
109.47288	0.9
119.07323	1.9
119.08587	2.2
120.82230	0.9
123.04422	4.6
127.03884	1.3
130.80264	0.9
137.05948	1.7
137.09564	4.4
139.03871	2.7
142.05000	2.2
145.04950	2.0
147.04349	0.9
147.08046	4.0
165.05548	4.2
165.09103	100.0
166.09438	2.4
177.09134	1.3
183.10150	3.5
189.09058	2.5
235.07515	2.4
239.06985	1.6
253.08603	1.7
261.56995	0.9
280.18573	0.8
302.06647	1.2
316.11847	2.6
318.83249	1.0
362.07007	1.8
362.12164	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22609	0.7
53.03949	0.8
55.01878	1.1
57.03438	0.6
67.01854	1.0
68.99789	3.3
69.03439	0.7
69.53162	5.8
74.02444	1.1
74.03554	0.6
79.01874	1.3
79.05491	0.7
81.03410	1.2
85.02886	1.6
91.05469	4.8
95.04961	0.8
97.02880	0.8
107.01373	0.7
107.04943	2.5
109.02895	1.7
111.00787	2.7
111.04437	0.9
117.03373	0.7
118.06480	0.7
119.04940	5.6
121.02867	0.9
125.02330	1.2
126.03018	0.6
127.03924	1.1
133.02861	0.8
134.03160	0.7
134.06013	3.2
135.04390	3.4
137.02309	2.6
137.05965	1.4
139.03891	4.4
140.04210	1.5
143.03409	1.0
145.02844	0.7
147.04399	12.5
149.02333	1.0
150.02695	0.9
151.03918	1.3
152.03412	2.1
152.07083	1.4
153.01819	41.2
153.05455	2.5
154.02164	8.2
154.04916	0.8
155.02306	0.9
157.06473	0.7
159.04413	0.8
161.02365	1.4
162.02739	1.1
162.05434	4.7
163.03893	26.9
164.04633	4.7
165.01820	2.3
165.05539	3.1
165.69586	0.7
166.02263	0.9
167.03418	1.9
168.03709	0.8
169.06532	1.1
173.05923	1.0
175.03941	1.1
175.07536	1.5
177.05467	1.0
178.05049	0.9
179.03423	3.3
180.02809	1.1
180.04008	0.8
180.06544	16.4
181.01358	1.8
182.08121	10.8
183.02898	0.8
185.05975	0.8
187.03876	1.3
189.05537	0.9
191.03374	3.0
192.06631	1.1
193.04889	1.7
195.02856	2.5
196.03214	2.2
197.05965	2.8
200.04704	1.3
201.05482	2.5
205.05130	0.9
208.03185	1.0
208.06053	24.4
210.07576	6.4
214.05911	1.4
215.03555	1.0
215.06963	3.6
217.04959	2.0
218.04962	0.6
219.02911	0.8
219.06563	0.8
220.03116	0.9
225.05458	5.5
229.04904	2.0
231.02863	0.7
234.04761	0.9
236.05428	0.8
242.05414	1.9
243.06532	30.4
244.06599	0.9
245.04361	3.2
246.04913	1.0
253.05035	7.8
259.05722	0.9
260.05878	2.6
261.03986	2.1
269.04095	0.7
270.04727	2.4
271.02502	1.5
271.05978	5.4
273.03824	2.2
274.04303	1.6
274.26913	0.7
278.06635	0.9
281.04361	5.4
287.05310	1.6
288.06131	8.4
289.03458	2.0
289.06992	12.4
290.04205	0.8
291.04785	1.2
298.04239	3.9
299.05481	35.4
300.05624	1.1
301.03360	1.2
302.03766	2.2
303.05038	0.8
304.05392	0.9
305.06369	0.7
309.03915	0.7
315.04587	1.5
316.05310	8.4
316.08536	1.1
317.02777	2.3
317.05954	1.3
318.03470	1.2
319.04395	23.1
320.04755	2.5
327.04974	100.0
328.05170	3.1
332.04868	2.8
333.05670	4.8
344.04480	2.7
344.08044	10.3
345.02319	9.6
345.06018	12.4
346.06525	0.8
362.05643	70.0
363.06030	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01865	4.4
55.05497	3.1
57.03424	3.1
57.07050	3.3
65.03924	2.2
67.05502	12.1
69.07055	5.7
71.04977	5.0
71.70450	4.4
71.70824	2.2
73.85541	2.1
78.04697	4.6
79.05495	17.9
81.03416	3.8
81.07050	20.1
83.04974	4.5
83.08602	2.3
85.02892	5.8
85.06559	4.3
87.75021	2.3
91.05468	35.3
93.07037	21.2
94.68232	2.0
95.04963	13.3
95.08579	13.7
97.06528	3.0
103.05456	19.2
105.04519	2.7
105.07005	18.4
107.04948	45.3
107.08579	6.2
109.02898	4.1
109.06505	3.6
109.10126	10.9
111.08102	3.3
115.05445	7.6
116.06291	2.5
117.07005	7.3
117.28544	2.3
119.04925	9.6
119.08604	4.4
120.05676	2.5
120.49862	2.2
121.06503	24.8
121.10146	4.2
123.04436	8.9
123.08090	3.3
123.11681	7.2
124.05206	6.2
125.06004	3.7
127.03929	2.8
128.06238	8.9
129.06979	30.6
131.04910	12.5
131.08565	17.3
133.02814	4.3
133.06497	5.6
135.04407	7.3
135.08057	7.2
135.11716	4.5
137.05957	30.4
137.13252	3.6
138.03110	2.5
144.05663	3.2
145.06499	6.6
145.10147	3.0
146.03680	3.6
146.07211	5.3
147.04425	7.2
147.08049	4.6
148.05168	7.2
149.05957	8.5
151.03891	8.2
151.07504	24.7
151.08629	2.9
152.04655	4.4
153.05450	18.5
153.06654	3.6
155.05977	3.5
155.07147	3.2
155.08545	2.9
157.06447	22.2
158.07262	3.5
161.05971	60.4
161.09596	17.6
163.03940	4.6
163.07526	34.0
165.05719	3.0
165.07008	11.8
165.09117	9.8
166.06282	11.8
166.07552	2.8
167.07051	67.3
167.08484	7.0
168.07396	3.4
169.06502	3.0
171.08072	2.9
173.05992	3.6
174.06700	13.9
175.07523	8.2
177.05563	3.0
177.06956	2.8
177.09088	12.4
178.07806	2.8
179.07031	7.6
179.08586	8.1
180.07791	5.7
181.05026	4.8
181.06606	5.7
181.08577	100.0
182.07280	10.2
183.08075	4.3
187.07593	3.8
189.07323	5.4
189.09091	96.1
190.07829	4.4
191.08566	6.2
191.10532	4.4
193.06407	2.8
193.08572	2.9
194.07275	6.1
195.08046	10.1
197.05934	2.9
197.09604	8.5
199.07442	3.2
203.06981	2.8
203.10698	2.9
205.06499	2.7
207.10184	24.9
208.08807	3.9
209.09572	3.5
210.06772	3.8
211.07681	5.4
212.08304	2.5
213.09192	2.9
219.08075	8.0
221.05971	6.3
222.06711	4.0
223.07588	10.5
223.11128	4.4
224.08250	4.5
225.09167	18.7
226.06238	2.9
227.07056	7.1
229.12308	4.0
236.08337	4.1
237.09224	3.1
238.06229	2.5
239.07063	5.9
239.10760	5.7
240.07820	4.9
241.08704	2.8
242.09244	2.8
245.12900	2.6
250.06415	3.5
251.06976	8.4
251.10631	9.0
253.08601	14.5
254.09300	3.1
255.06418	4.6
255.10132	7.0
257.11716	17.1
267.06512	2.7
267.10043	3.1
268.07306	4.6
269.08246	3.7
269.11380	2.5
270.08743	4.3
279.10104	5.5
283.06943	2.6
283.09641	15.6
283.13284	8.1
285.07849	4.5
285.11182	36.4
286.11682	2.7
297.11551	2.5
299.09064	4.6
302.11481	6.6
311.12744	6.9
315.12180	21.5
317.13812	20.7
329.13745	5.1
331.15408	3.1
343.15225	12.4
361.05460	10.8
361.16379	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
54.42947	2.1
55.01856	2.7
55.05487	3.7
65.03937	4.1
67.05489	6.2
69.03407	3.2
69.07051	3.5
71.04987	2.6
71.70614	4.6
71.82333	2.5
79.05494	16.8
81.03419	2.1
81.07045	8.5
83.04954	3.5
85.06531	2.3
91.05466	30.2
93.07037	12.7
93.42641	2.1
94.86855	2.0
95.04970	12.7
95.08607	7.1
103.05449	14.9
105.03390	2.7
105.07019	14.4
106.04147	3.0
107.04939	37.4
107.08550	2.4
109.02885	2.5
109.06501	4.4
109.10132	3.9
110.28004	2.1
111.04429	3.8
114.23129	2.2
115.05438	8.3
116.06223	2.8
117.07004	8.1
119.04921	8.2
120.05705	2.7
121.06497	24.7
121.10152	2.7
123.04416	10.0
124.05231	5.5
125.05948	4.2
128.06224	13.1
129.06989	29.8
131.04915	16.4
131.08585	14.3
133.02783	4.0
133.06485	6.2
135.08040	10.3
135.08961	2.6
137.05960	20.7
139.03897	9.3
143.04877	3.0
145.06490	6.1
146.03522	2.3
146.07224	4.4
147.04417	3.8
147.08031	3.6
148.05208	2.8
149.05952	7.8
149.09592	2.5
151.03864	4.8
151.06345	3.1
151.07501	20.3
152.04683	6.1
152.06197	3.4
153.01794	4.0
153.05463	15.8
153.06802	3.3
153.09050	2.3
155.07039	3.4
157.06471	24.1
158.07224	2.9
159.08054	4.2
161.05974	61.2
161.09607	14.4
163.03918	3.3
163.07515	24.7
165.05565	4.8
165.07014	10.4
165.09064	12.0
166.06236	12.7
166.07722	3.1
167.07039	80.3
167.08504	7.4
171.08006	3.8
173.05870	3.2
174.06721	10.7
175.07549	9.1
177.05490	3.0
177.09138	10.8
178.07852	3.4
179.07117	4.8
179.08569	8.4
181.05040	2.8
181.06534	5.8
181.08594	100.0
182.07170	5.3
183.07991	4.1
187.07478	2.3
189.07320	4.5
189.09091	94.5
190.07741	2.4
190.09399	3.5
191.08531	5.7
191.10675	3.6
193.06491	3.6
193.08536	3.4
194.07224	5.2
195.08055	14.8
197.05983	3.6
197.09666	8.9
199.07446	4.8
205.06621	2.5
207.08195	5.6
207.10019	21.1
208.08791	5.3
210.06737	5.9
211.07570	6.4
212.08385	2.3
219.07988	6.9
219.10049	2.5
221.05989	5.9
221.09621	4.1
222.06671	3.2
223.07549	13.4
223.11159	10.5
225.05443	5.2
225.09065	20.6
227.07021	9.2
227.10776	2.7
229.12283	2.7
231.97087	2.3
235.07568	4.1
236.08281	5.0
237.09138	4.9
238.06108	3.1
239.06947	7.4
240.07809	7.1
241.08621	5.3
242.09537	3.7
247.07703	3.2
251.06970	6.2
251.10727	8.7
253.08536	19.8
254.09222	5.0
255.06613	5.6
255.10138	7.1
257.11755	19.6
265.08649	4.1
267.06461	2.7
267.10092	3.5
268.07324	3.5
269.08041	4.1
269.11578	4.0
270.08795	6.9
271.13446	3.0
279.10107	6.5
282.08688	3.4
283.09988	14.0
283.13220	12.1
285.11145	42.6
297.11133	6.1
299.09235	4.7
299.12775	4.9
302.11520	6.9
311.12738	8.2
314.11475	2.6
315.12155	20.2
317.13724	19.5
329.13644	4.6
331.15280	3.9
343.15375	12.2
349.35913	2.5
361.05411	9.3
361.16473	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	361.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84369	1.2
56.96555	2.4
68.43443	1.2
70.42507	1.4
70.45525	1.2
71.62363	2.0
74.03012	1.2
84.31532	1.2
85.02898	2.2
92.24693	1.4
113.46677	1.5
114.14074	1.4
116.16155	1.7
135.34465	1.5
153.01810	1.9
164.83955	1.3
165.06979	7.6
169.06454	2.8
178.07782	3.9
179.08562	19.4
181.06483	3.2
183.08051	31.2
189.06964	3.8
191.08551	3.4
193.06506	6.0
194.07277	2.5
195.08061	4.0
197.05969	2.4
206.09584	1.5
207.08040	61.0
208.08498	5.1
209.06183	1.4
209.09639	4.0
210.09158	8.4
211.07535	18.6
212.07784	1.5
217.06386	7.1
219.08020	3.1
221.05937	12.3
223.07478	3.1
224.58835	1.4
225.09152	1.5
234.09137	3.6
235.07523	100.0
236.07935	4.3
236.10522	2.7
237.09164	7.4
238.08678	3.3
239.07001	59.4
240.07404	3.1
252.10188	65.2
253.10732	1.8
263.07001	7.7
280.09613	11.0
281.08044	49.8
282.08426	3.6
284.09091	8.7
297.12277	36.8
298.10684	72.1
299.11121	4.8
300.12369	1.5
315.13297	14.3
321.76416	1.6
326.10239	12.6
343.12888	50.2
344.11423	5.8
361.14017	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	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54631	1.7
53.03936	2.6
55.01867	2.9
65.03929	3.2
65.33021	1.6
69.07091	2.0
69.74333	14.6
76.15530	1.9
77.75333	1.6
78.04728	2.1
79.05500	16.5
81.07051	2.8
91.05471	25.5
93.07034	13.6
95.04964	9.5
103.05454	11.7
105.07021	13.3
107.04950	34.7
109.02956	2.7
109.06518	3.2
111.04472	3.5
115.05454	4.9
116.06295	2.2
117.07014	7.2
119.04922	7.7
119.08559	3.8
120.05712	3.3
121.02876	2.2
121.06490	25.4
122.03661	2.8
123.04426	9.3
124.05247	5.0
124.20692	1.8
127.09903	1.8
128.06216	8.0
129.06992	30.7
131.04906	12.3
131.08568	14.5
133.02855	3.5
133.06471	5.2
135.04408	2.8
135.08057	8.2
136.05141	2.1
137.05963	20.0
139.07497	1.6
141.06914	3.0
143.08539	1.8
144.05681	2.8
145.06465	8.9
146.03625	2.2
146.07291	5.0
147.04445	5.0
147.08064	2.4
148.05240	4.3
149.05972	9.7
151.03932	7.1
151.07527	19.1
152.04713	3.6
153.01811	8.1
153.05467	15.1
153.06628	2.7
155.07056	3.0
157.06477	22.2
159.07996	2.8
161.05974	43.4
161.09608	11.6
162.06601	2.3
163.03860	2.0
163.07532	21.9
163.14761	2.2
165.05585	3.6
165.06999	10.2
165.09123	8.8
166.06291	10.4
166.07571	2.8
167.07048	67.8
167.08533	8.7
169.01411	2.0
171.08076	3.6
174.06767	17.8
175.07504	7.8
177.05527	2.5
177.09128	9.3
178.07713	3.1
179.07037	5.0
179.08585	6.2
179.10641	2.4
180.07687	2.2
180.86836	1.7
181.05067	3.2
181.06612	5.6
181.08589	100.0
182.07301	7.0
183.08099	3.1
187.07651	1.8
189.09094	84.6
190.07835	2.2
190.09521	1.9
191.06976	2.3
191.08601	4.8
191.10707	4.8
193.06488	4.2
194.07191	3.2
195.08017	12.2
197.05933	4.8
197.09634	11.0
199.07481	3.9
207.08096	4.8
207.10185	18.1
208.08812	4.9
209.06050	2.5
210.06763	6.7
211.07567	4.8
212.08316	4.1
219.08040	6.7
221.05984	4.4
222.06781	5.5
223.07462	9.4
223.11183	2.7
224.08374	2.6
225.05589	3.1
225.09058	17.6
227.07033	7.3
229.12222	3.8
233.09528	3.3
235.07594	4.3
236.04645	2.0
236.08368	3.1
237.05475	2.8
237.09019	4.7
239.07050	6.0
239.10641	3.4
240.07764	6.4
241.08627	3.6
242.09358	3.5
247.07678	3.4
251.07051	6.8
251.10713	8.8
253.08611	15.5
255.06532	5.0
255.10246	5.8
257.11746	15.9
265.08850	2.4
266.39484	2.4
267.10156	2.1
268.07382	4.8
269.08136	3.1
270.08762	5.7
271.13284	3.3
279.10083	5.5
283.09650	10.9
283.13300	10.7
285.07883	3.3
285.11191	36.3
296.10516	2.2
297.11166	5.0
299.09265	3.0
299.12772	5.6
301.14508	2.8
302.11453	5.4
311.12866	5.2
315.05002	2.2
315.12213	21.9
317.13812	20.5
319.04630	2.4
329.13870	3.1
331.15369	2.8
343.04626	2.7
343.15381	8.2
361.05627	22.6
361.16742	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	361.0546
Annotation	3,3',4-Tri-O-methylflavellagic acid
Peak:m/z	Relative Intensity
51.02384	0.3
51.61492	0.1
53.00369	0.2
53.03953	0.2
55.01869	0.4
57.03437	0.9
60.76487	0.2
65.03926	0.7
67.01867	0.3
67.05492	0.3
67.65517	0.2
68.99782	1.5
69.03423	0.3
71.05648	0.2
71.70470	0.2
77.03887	0.2
79.01839	1.3
79.05482	0.3
81.03402	1.2
83.01332	0.4
85.02899	2.5
91.05472	0.3
93.03392	0.6
95.01332	0.2
95.04953	0.5
97.02872	0.8
101.54808	0.2
105.03371	0.6
105.07015	0.2
107.01318	0.5
107.04908	0.3
109.02863	1.7
111.00793	1.1
111.04415	0.7
115.05434	0.3
121.02864	1.6
121.06635	0.2
123.04430	1.1
125.02333	1.6
126.03162	0.5
127.03860	0.3
129.06978	0.5
133.02826	1.9
134.05983	0.2
135.04427	0.4
137.02319	2.0
138.03104	0.7
139.03888	2.4
140.04665	0.3
141.01842	0.3
141.07027	0.3
143.03383	1.8
143.04869	0.2
145.06557	0.2
147.04362	0.8
149.02328	1.3
150.03102	0.3
151.03891	2.2
151.05830	0.2
153.01813	24.7
154.02180	0.9
155.03285	0.2
157.06433	0.4
159.04430	0.3
161.02304	2.4
161.03513	0.2
161.05998	0.4
162.02806	0.2
162.05466	0.3
163.03889	1.7
163.05954	0.2
165.01820	2.6
165.05487	0.2
166.02596	0.8
167.02092	0.3
167.03391	3.4
169.05064	0.2
169.06424	0.4
171.02878	0.6
171.04398	0.8
175.03867	0.4
177.01865	1.4
177.05432	0.4
178.05003	0.4
179.03374	4.3
179.05016	0.2
180.03964	0.2
180.06522	0.9
181.04932	0.4
181.07188	0.2
182.08109	0.3
183.02916	0.8
184.05106	0.2
185.05974	1.2
187.03896	0.3
188.04587	0.2
189.01825	1.3
189.05460	0.8
191.03502	0.4
191.05293	0.2
193.01329	0.5
193.04976	0.3
195.02876	5.6
195.04420	0.3
197.06015	0.3
199.03934	0.8
201.05441	0.5
203.03395	0.7
203.06996	0.3
205.04965	0.3
206.04324	0.3
207.02869	1.8
207.04820	0.6
208.03825	0.3
208.06039	1.1
209.04498	0.3
209.06401	0.2
211.02313	0.2
212.04646	0.2
213.05457	2.3
215.03349	0.5
216.04167	0.5
217.01324	0.3
217.04973	1.3
219.02887	0.6
219.06529	0.4
221.04413	0.2
223.02184	0.2
223.04066	0.3
227.03256	0.4
229.04974	0.7
230.05707	0.6
231.02884	0.5
231.06487	0.8
233.04416	1.5
235.02254	0.6
235.04262	0.3
238.07552	0.2
241.04941	2.9
242.05319	0.5
243.02856	0.4
243.06535	0.6
244.03639	0.7
245.04404	1.7
247.05942	0.3
249.03938	0.2
253.03102	0.3
253.05229	0.5
255.02895	0.5
257.04434	0.6
258.05130	0.9
259.02396	1.0
259.06015	1.8
261.03955	0.7
263.05499	0.4
268.03754	0.2
269.04401	3.7
270.04688	0.4
271.06039	0.4
272.03064	0.4
273.03778	1.3
275.05475	0.6
277.03430	0.4
277.06784	0.3
279.02628	0.2
285.04007	0.3
286.04660	1.0
287.05408	4.7
288.06046	0.4
289.03357	0.8
289.06583	0.3
290.04071	0.9
291.04959	0.8
296.03094	0.2
297.03830	4.2
297.06827	0.2
298.04330	0.4
299.05566	1.0
300.02469	0.2
301.03421	3.6
303.04922	1.0
304.05750	0.6
305.06384	0.3
314.04074	1.3
315.04919	11.6
316.05402	0.7
317.02917	1.4
318.03656	5.0
319.04404	3.6
320.04749	1.1
325.03329	1.2
327.04935	2.2
331.04471	2.9
332.05225	5.3
332.08447	0.1
333.05524	1.1
343.04349	7.9
344.04620	2.3
345.02161	0.4
345.05829	0.3
361.05472	100.0
362.05649	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	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62316	1.6
61.02919	2.5
69.03432	3.4
70.06592	3.1
70.42233	7.7
75.58994	1.8
78.22480	1.8
82.70543	1.8
85.02905	18.0
86.09667	2.2
89.03915	2.5
91.05462	8.6
97.02879	5.0
117.03344	2.3
117.07046	2.3
119.04917	24.9
124.45671	1.7
127.03914	4.0
127.27348	1.8
135.04413	5.5
137.06004	3.7
138.43535	1.6
139.03857	3.0
145.02840	4.7
145.04951	5.8
147.04388	100.0
148.04697	2.0
163.03885	46.9
163.05162	3.0
163.07564	1.9
165.05464	51.9
180.06485	2.4
181.04927	13.1
194.73331	1.6
200.83087	1.7
265.54480	1.9
342.17471	1.7
384.79623	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	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01863	10.4
55.29402	3.2
55.88642	3.4
57.03430	8.3
60.06894	3.8
60.41951	3.2
61.02913	7.9
68.64856	3.4
69.03432	39.3
70.89321	4.0
70.89653	6.6
73.02898	5.3
75.50706	3.3
85.02901	100.0
97.02889	36.0
99.04442	4.5
101.02374	6.7
109.02901	3.7
119.01966	4.1
127.03909	75.8
127.71159	3.7
141.55441	3.9
145.03377	4.0
145.03625	4.5
145.04953	89.6
161.47133	4.2
163.06030	15.9
180.08684	5.3
301.04050	4.2
329.03500	9.3
361.06506	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	360.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
54.89555	0.7
61.02916	1.2
63.02086	0.7
65.03930	1.0
69.03412	3.2
69.79415	0.7
69.83723	1.4
69.84130	2.6
71.25198	0.7
72.08147	1.1
81.03386	1.0
85.02897	14.0
86.09681	2.0
86.85470	0.9
89.03909	0.8
91.03940	0.8
91.05462	7.4
95.04941	0.8
97.02863	3.4
98.21412	1.4
99.04444	0.9
107.04935	1.2
109.02855	1.9
117.03345	1.1
119.04928	25.3
123.04442	1.4
127.03918	2.0
135.04384	2.0
137.05962	1.2
139.03885	1.6
144.93941	0.6
145.02806	1.1
145.04939	4.1
147.04395	100.0
148.04729	2.0
163.03897	17.1
163.07552	0.7
165.05464	54.7
165.96216	0.8
166.05771	0.9
181.04950	8.1
196.08246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03611	5.4
55.01868	7.5
55.05500	25.3
57.07066	6.8
61.01137	17.8
65.99001	5.4
67.05490	26.0
69.07053	32.1
69.47761	59.7
79.05481	22.3
81.03429	7.4
81.07056	100.0
83.04928	5.9
83.08601	14.7
85.06535	11.8
86.09679	12.2
91.05464	17.5
93.07040	32.7
95.04966	14.4
95.08592	69.8
97.06528	8.6
97.10168	23.3
98.20743	10.4
98.97554	6.1
99.08064	7.6
105.07031	16.0
107.08580	30.4
109.06470	9.7
109.10141	18.8
111.04408	10.1
111.08070	19.2
119.08564	13.7
121.10135	29.9
123.11700	46.7
133.10118	8.7
135.11688	17.5
137.05998	34.7
137.09636	5.7
137.13239	8.3
139.03894	51.6
139.11110	13.6
142.08604	12.2
147.04384	7.1
147.07999	6.7
149.05946	9.2
149.13249	39.4
151.03847	9.7
151.07611	5.8
157.12178	10.2
161.06018	11.5
161.13271	8.3
162.06699	8.6
163.03926	9.6
163.14879	11.0
165.06969	9.3
167.07048	10.6
187.13293	14.3
191.08830	6.8
210.06738	7.1
211.07259	7.1
219.07916	6.0
247.07358	8.8
249.09109	7.5
253.08617	9.4
263.61212	7.3
265.08575	8.0
271.09491	5.9
280.03024	6.0
281.08084	7.9
286.11923	7.7
289.07043	13.2
293.24933	8.2
305.24719	29.8
313.10709	11.4
313.14090	11.0
323.25482	8.8
326.11371	9.7
327.12158	27.5
330.14746	8.6
341.13428	19.0
342.14542	22.6
359.03934	15.0
359.14832	33.2
359.20004	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.3
55.01862	6.5
55.05509	28.2
57.03439	20.8
57.07072	3.5
66.48650	2.2
67.05504	51.7
69.03418	2.8
69.07066	33.0
70.06579	2.9
71.05000	3.1
71.70308	3.5
74.36836	2.5
79.05486	48.7
80.05844	2.4
81.03370	3.6
81.07050	48.8
83.04972	7.2
83.08612	23.7
85.02898	3.4
85.06547	4.2
90.20436	2.2
91.05473	46.8
92.21375	2.2
93.07037	61.7
95.04972	6.4
95.08596	42.4
97.02865	3.5
97.06529	14.0
97.10156	11.0
99.08079	5.9
105.07024	23.7
107.04958	2.5
107.08584	44.7
109.06480	6.0
109.10146	22.0
111.08083	11.5
117.07000	8.1
119.08572	28.2
121.06495	2.4
121.10136	55.3
122.10471	2.4
123.08060	9.3
123.11720	6.0
125.09609	7.5
129.06996	3.4
131.04971	3.2
131.08560	21.7
133.10135	30.8
135.08058	7.0
135.11700	25.1
137.05981	9.2
137.09612	24.3
138.06284	2.9
139.03902	9.7
139.11147	4.2
143.08562	3.2
145.10097	7.5
147.04436	2.7
147.11710	24.2
149.09631	10.0
149.13336	2.9
151.03925	3.4
151.11145	12.8
153.09067	4.0
155.08490	3.2
157.10132	4.9
159.11580	3.0
161.13239	3.4
163.03828	3.7
163.11192	3.0
165.12746	7.9
167.07001	2.7
167.10643	4.4
171.11690	7.7
187.78284	2.4
191.03380	21.3
203.03380	6.6
203.17979	5.6
213.16389	16.8
221.19115	7.2
228.57433	2.5
231.17426	20.9
249.18492	100.0
250.18797	5.5
259.57071	2.7
267.19620	3.7
271.08850	2.8
285.09976	4.5
323.22083	14.3
323.25494	2.9
329.06500	4.4
341.23282	41.9
359.07629	4.3
359.14807	3.3
359.24280	37.5
369.95938	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	359.185
Annotation	Sphenanlignan
Peak:m/z	Relative Intensity
51.69627	0.9
53.03944	1.3
55.01872	2.2
55.05505	8.6
57.58496	0.9
63.72417	0.8
63.90334	0.8
67.05502	6.7
69.03387	1.3
69.07040	3.0
70.25506	3.6
75.13760	0.7
77.86144	0.8
79.05466	4.7
81.07046	5.9
83.04960	0.9
83.08629	4.8
84.08115	2.0
85.02916	1.2
91.05450	2.4
93.07019	3.1
95.04951	1.2
95.08586	4.8
97.06486	1.0
97.10177	1.9
102.92636	0.9
104.84845	0.9
105.05333	0.8
105.07037	1.6
107.04926	1.3
107.08585	1.8
109.10142	1.4
111.08066	1.4
115.05429	1.5
117.07001	1.5
119.08555	1.3
121.10117	1.6
123.11629	1.5
125.09618	2.2
126.91068	0.9
128.06181	3.5
129.06975	2.0
131.04929	1.5
131.08540	1.1
133.06483	2.0
133.10165	1.2
137.05969	2.0
139.03880	2.1
139.05418	1.5
141.06946	2.7
145.06459	1.3
152.06244	1.4
153.06969	3.0
154.07768	1.2
155.08482	1.7
156.05656	3.0
157.06465	2.5
165.07034	6.2
167.07014	2.5
167.08528	2.0
168.05695	6.7
169.06444	3.9
170.07172	1.8
171.08017	6.6
178.07831	1.4
179.08565	3.2
180.05927	0.9
181.06488	6.3
182.07265	6.5
183.04456	1.5
183.08076	6.0
184.05167	14.2
185.05939	5.3
185.09555	1.9
187.07475	1.0
187.11137	1.9
193.06526	3.2
193.10223	1.1
194.07294	2.3
195.04422	1.0
195.08051	6.4
196.05179	13.9
196.08786	1.1
197.05899	4.5
197.07915	1.5
197.09596	2.3
198.06703	5.2
199.07509	28.6
200.07962	1.8
203.08630	1.5
207.08070	6.4
208.08794	1.1
209.05942	3.8
209.09523	2.0
210.06741	11.1
211.07521	36.9
212.04655	7.1
212.08051	2.6
213.05460	3.5
213.09108	4.9
219.08043	2.1
220.08823	1.4
221.05965	3.8
221.09457	4.3
221.13158	1.2
223.07483	5.3
223.11089	1.8
224.04718	3.8
224.08272	2.3
225.05589	5.2
225.09082	11.0
226.06197	4.3
227.06998	30.2
227.10454	1.2
228.07613	3.1
229.04956	4.2
229.08524	2.6
233.06052	0.9
234.06670	1.7
235.07452	5.7
235.11150	2.1
236.08255	1.9
236.16435	0.9
237.05478	1.6
237.09109	3.7
238.06189	4.9
239.07004	54.0
239.10429	4.3
240.07718	8.6
241.04924	2.1
241.08615	16.4
242.05681	3.7
243.06470	2.6
244.07214	5.6
248.08200	1.1
249.09073	3.8
249.12691	7.8
249.18471	2.9
249.92514	1.0
251.07104	2.0
252.07751	4.3
253.08592	22.8
253.11555	1.5
254.09311	2.5
255.10034	1.6
256.07248	7.2
257.08047	20.0
258.08441	1.9
259.09613	38.0
262.09818	1.3
265.08566	2.6
266.09335	2.0
267.10159	13.0
267.13712	6.8
268.10904	1.6
271.09625	100.0
272.09998	3.9
273.11224	1.7
277.12219	19.8
278.12936	1.2
279.10199	1.5
280.10922	2.7
281.11700	4.3
281.15329	12.1
283.09634	2.3
285.11142	9.0
291.13791	3.4
293.11783	1.1
294.12479	2.2
299.12701	3.9
309.14816	49.5
310.15317	3.5
313.10776	2.0
313.14258	2.3
326.14996	2.2
327.12299	1.1
341.17438	65.3
342.17682	3.0
359.14752	2.5
359.18472	17.8
359.23764	2.4
382.97522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1848
Annotation	Sphenanlignan
Peak:m/z	Relative Intensity
52.81110	0.6
55.01854	2.2
55.05509	4.4
55.18667	0.7
56.80210	0.6
67.05489	3.4
70.13601	2.4
79.05476	2.4
81.07030	2.4
85.02878	0.7
91.05447	2.2
95.04964	1.0
95.08588	2.7
96.33171	0.6
97.98195	0.7
98.21304	0.8
99.08079	0.9
105.07017	1.2
107.04924	2.3
115.05451	1.8
117.07004	1.0
121.06481	0.7
125.05961	0.9
126.17461	0.7
128.06180	3.1
129.06952	1.4
131.04893	1.3
133.06468	2.2
137.05998	0.8
139.05370	1.0
141.06990	3.2
143.08569	0.7
144.05678	0.9
145.06468	2.8
147.08002	1.1
152.06166	2.0
153.05806	0.6
153.06987	4.1
154.07744	1.2
155.04875	0.9
155.08530	1.8
156.05623	4.5
157.06453	1.9
157.10034	0.8
159.07986	1.0
165.06978	6.4
167.04832	1.0
167.06996	2.0
167.08531	2.4
168.05708	7.2
169.06509	4.5
170.07191	2.2
171.08040	9.4
173.05978	0.7
178.07764	2.2
179.08492	3.4
180.05675	0.6
181.06461	9.4
181.08180	0.7
181.08525	0.5
182.07246	9.4
183.04430	1.4
183.08026	7.8
184.05157	16.3
185.05898	5.8
185.09627	1.6
187.07549	1.5
187.11165	1.6
191.08560	1.6
192.09294	0.7
193.06519	4.1
193.10130	1.8
194.07269	1.5
195.04391	0.9
195.08025	4.8
196.05164	13.8
197.05937	7.3
197.09581	2.5
198.06749	5.8
199.07524	31.3
200.08035	1.6
201.05379	0.9
201.09140	0.8
202.07722	1.8
203.08556	1.9
205.06468	1.2
206.07207	1.6
207.08009	5.7
209.05977	4.3
209.09581	1.7
210.06734	10.4
211.07513	41.1
212.04666	8.5
212.07858	3.5
213.05504	4.7
213.09045	3.6
215.06889	1.2
219.08009	2.5
220.08736	1.7
221.05977	4.9
221.09479	4.1
221.13197	1.1
222.06673	1.2
223.07515	6.6
223.11011	1.5
224.04770	3.0
224.08243	2.9
225.05542	4.8
225.09076	10.8
225.12671	0.8
226.06184	4.7
227.06995	33.9
228.07664	2.2
229.04890	5.4
229.08446	3.3
231.07974	1.2
231.11835	0.7
233.09532	1.3
234.06783	1.0
234.10361	2.6
235.07503	5.3
235.11104	1.5
236.08177	1.8
237.05434	1.2
237.09012	3.2
238.06252	6.2
238.09837	1.7
239.07002	57.7
239.10698	2.3
240.07707	8.2
241.04893	1.5
241.08560	16.2
242.05836	3.4
242.09111	1.7
243.06468	2.7
243.10161	0.9
244.07286	6.2
247.07480	1.3
248.08305	1.0
248.11879	0.8
249.09151	4.6
249.12755	7.2
250.09746	1.1
250.13257	1.0
251.06989	1.5
251.10663	1.4
252.07753	3.1
252.11440	0.9
253.08559	24.8
253.12407	1.5
254.09065	1.8
255.06487	1.1
255.10197	1.5
256.07242	7.8
257.08047	19.6
258.08612	1.8
259.09595	39.5
260.09991	1.8
262.09879	0.9
263.10638	1.1
265.08636	2.7
266.09329	2.5
266.13022	2.0
267.10135	12.0
267.13739	7.3
268.10742	1.9
268.13824	0.9
270.08942	1.8
271.09616	100.0
272.09973	3.9
273.11169	2.3
276.11340	1.1
277.12204	17.6
278.12875	1.9
279.10181	0.8
280.10922	3.3
281.11740	4.1
281.15326	13.9
283.09686	1.1
284.10266	0.9
285.11206	8.2
291.13861	2.0
292.14520	1.0
293.11935	1.0
294.12393	2.5
299.12726	4.1
309.14801	51.1
310.15244	3.8
323.16415	1.3
326.15057	2.5
327.15820	0.7
340.25034	0.7
341.17432	64.3
342.17731	4.0
359.18430	18.1
363.45944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01863	1.4
55.05501	0.8
57.03425	2.1
59.04998	1.0
61.02922	4.1
66.33213	0.9
67.05500	1.2
69.03426	6.6
69.07076	0.8
70.06573	3.2
70.30345	3.0
72.08122	0.8
73.02904	1.0
79.05471	1.8
81.03408	3.4
81.07044	2.2
84.04482	1.9
84.68345	0.8
85.02397	1.6
85.02899	26.5
86.09680	1.4
86.44970	0.8
87.04439	1.0
91.03918	0.9
91.05439	4.9
93.07045	7.8
95.04944	2.6
95.08615	1.2
97.02879	7.6
99.04437	1.8
105.07022	7.6
107.04913	1.1
107.08592	21.2
109.02850	2.4
109.06512	1.6
109.10173	1.4
119.04951	0.9
119.08580	2.0
121.06489	1.2
123.04435	1.6
123.11749	0.8
127.03906	4.1
130.04985	1.9
133.10127	19.0
135.10648	1.2
135.11678	20.9
137.05962	2.4
137.09607	2.1
142.04953	0.8
145.04922	3.2
151.11166	1.5
153.01868	0.9
159.09166	0.8
161.09630	10.8
170.05963	1.9
173.09238	1.2
179.10661	38.2
180.10942	1.1
184.09692	1.5
197.11722	100.0
198.12025	1.8
219.08116	1.2
237.09113	1.1
297.11237	1.6
314.54675	0.7
315.19183	2.6
359.17023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	2.3
67.05475	1.9
70.52903	5.5
76.19434	1.7
79.05476	3.6
81.07046	1.9
83.04935	1.6
91.05473	4.7
94.33814	1.6
95.04948	3.5
95.08572	3.1
105.07002	3.1
107.04944	3.4
109.02857	2.2
111.04422	2.3
115.05416	3.5
119.04932	1.9
119.08571	1.8
121.02842	2.7
121.06462	2.8
121.10098	1.7
131.01680	1.7
131.04933	2.4
135.08055	1.8
137.05959	34.6
143.04895	4.0
146.03613	3.1
147.04413	1.9
149.05963	6.1
151.03859	2.6
153.05437	3.3
153.06992	2.0
159.08014	2.2
161.05974	36.2
163.03825	1.7
165.06979	19.4
167.07053	5.8
167.08545	4.4
169.06474	1.8
175.07550	5.9
178.07767	2.3
179.07056	2.5
179.08533	3.8
181.04926	5.5
181.06519	5.6
182.07249	8.9
183.08005	2.4
187.03755	1.7
188.04681	8.6
189.06999	2.0
191.07016	5.4
193.06458	22.0
194.07217	4.4
195.08032	3.9
196.08839	3.1
197.09628	5.0
199.07510	5.4
201.53412	1.6
203.06996	17.6
205.06511	2.3
205.08478	3.4
206.07353	1.9
207.08032	4.8
209.05902	3.7
210.06752	20.3
211.07518	6.7
211.11101	1.7
214.30350	1.7
221.05989	34.5
221.09576	4.9
222.06633	2.2
223.07538	5.2
224.08302	11.2
224.28487	1.7
225.05624	2.1
225.09108	36.2
227.07069	8.4
234.06699	4.2
235.07455	5.8
237.05479	2.3
237.09007	2.5
238.06270	12.8
238.09854	3.8
239.06943	6.2
239.10603	5.2
240.07767	4.1
241.08391	2.8
242.09305	2.5
249.09149	7.2
251.07030	2.9
252.07860	12.3
253.08577	62.8
253.12314	3.7
254.09128	4.9
255.06485	6.2
255.10260	2.5
257.07928	2.6
262.06183	2.3
266.09344	4.6
267.10147	25.9
268.07294	2.6
269.07886	3.9
270.08823	7.0
271.09708	4.5
277.08499	12.9
279.06445	2.8
280.07297	2.2
281.08234	3.5
281.11700	4.3
283.09537	3.6
284.10425	2.2
285.11206	100.0
294.08801	3.6
295.09665	9.9
297.07553	3.8
298.08438	2.6
299.12741	5.2
300.09894	4.3
309.11182	21.7
309.14639	3.1
312.09799	3.0
313.10632	20.8
313.14288	12.6
327.12247	95.2
328.12860	3.7
329.19528	1.5
331.15201	3.6
341.13763	10.7
341.17490	3.8
359.10815	2.2
359.14764	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	359.1485
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
65.03921	4.7
67.05464	2.7
70.75395	5.9
80.42826	1.4
84.08115	2.3
95.04968	2.0
107.04958	3.7
110.03591	3.2
111.04466	2.3
120.52720	1.4
121.02862	9.3
121.06512	2.5
125.05957	4.6
131.04904	1.6
135.08070	2.4
139.03961	1.9
144.05716	2.9
145.06458	2.9
147.07909	1.9
149.02258	2.3
152.06287	1.8
153.05426	4.9
153.06694	2.3
159.08052	6.0
161.05971	3.9
161.09592	3.2
165.01884	1.7
165.06973	2.8
167.07051	5.9
167.08496	2.5
169.06606	2.5
171.06543	3.3
178.07834	3.9
179.08601	2.6
179.40796	1.7
181.04958	26.8
181.06468	4.9
183.08031	1.7
191.08401	2.4
194.07262	2.6
195.08018	11.8
196.08794	1.8
197.05968	3.4
197.09631	2.7
198.06732	2.8
205.06421	2.1
206.07281	2.4
207.07925	2.2
209.09554	3.7
210.06795	7.3
211.07518	6.0
212.08357	3.9
221.05983	4.1
221.09592	11.2
223.07530	12.7
224.08275	2.7
225.05380	1.7
225.08987	7.5
227.07033	4.5
227.10658	3.7
235.07593	2.6
236.08211	1.8
237.09077	10.0
238.06284	3.8
238.09909	9.3
239.06882	7.5
239.10674	3.1
240.07773	14.7
241.08609	5.2
249.09000	8.2
250.09912	1.7
251.06999	5.7
252.07817	8.3
253.08598	27.9
253.12167	11.6
254.09332	4.5
255.06410	7.4
255.10194	9.4
255.57288	1.6
257.08075	8.4
265.08527	6.5
266.09299	4.2
267.06735	3.1
267.10153	7.8
268.07343	5.5
269.08133	15.4
270.08759	2.8
271.09595	1.6
277.08432	1.7
281.08472	8.9
281.11417	9.7
282.08969	2.5
283.06302	2.9
283.09598	23.5
284.10437	4.4
285.07678	4.4
285.11166	3.1
295.09613	4.1
297.07535	6.1
298.08322	11.6
298.11768	3.3
299.09076	4.5
299.12750	13.1
300.09882	22.3
309.11356	8.7
310.11893	2.5
313.10657	100.0
313.14319	59.3
314.11017	3.1
314.14688	2.1
326.11392	6.0
327.12216	41.4
327.15945	3.3
328.12939	3.9
331.11813	2.8
331.15372	24.7
341.13797	56.3
342.14081	2.4
359.14856	92.6
360.15271	2.1
361.19928	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.39120	1.1
53.03928	1.7
55.01868	1.8
55.05499	3.3
61.01147	1.4
61.60210	1.2
65.03925	5.5
67.05484	6.1
69.03436	2.7
69.07085	3.3
69.65421	11.0
70.06602	1.4
71.20260	1.4
79.05499	6.5
81.03378	1.9
81.07066	9.1
82.04167	2.5
83.08614	1.9
85.02882	1.6
85.06536	1.7
91.05460	8.4
93.03403	2.0
93.07047	6.4
95.04964	4.3
95.08615	4.2
97.06522	2.9
98.09859	1.4
103.05450	5.0
105.07015	5.2
107.04952	8.1
107.08588	5.3
108.02044	1.2
109.06485	1.2
109.10148	4.1
110.03671	4.9
111.04440	4.2
115.05453	3.8
116.06401	1.2
117.07001	2.4
119.04937	1.2
119.08614	1.9
121.02865	7.0
121.06480	4.0
121.10128	4.8
121.35719	1.3
122.03658	1.7
122.95449	1.2
123.04433	3.2
123.08076	1.5
123.11684	1.8
124.84069	1.2
125.05984	4.0
127.95837	1.1
129.06985	2.7
131.04918	5.5
133.06511	1.9
133.10086	1.4
135.04405	1.7
135.08026	4.4
135.11726	1.8
137.05959	20.3
139.03885	7.6
141.07021	1.2
144.05687	2.0
145.06490	3.0
147.04404	2.2
147.08046	5.1
147.11659	2.1
149.02312	2.4
149.05920	2.4
149.13370	1.5
151.03941	3.1
151.07518	1.7
151.70595	1.2
153.05458	4.1
153.06920	2.0
157.04582	1.2
159.08061	7.3
160.05246	1.7
161.05968	6.1
161.09561	2.5
161.13306	1.6
163.03911	8.6
163.07533	5.9
165.05602	2.2
165.07002	6.1
167.07037	12.9
167.08539	3.6
168.05690	1.4
169.06480	2.8
175.07538	7.8
177.05553	1.7
177.06993	2.1
177.09174	2.3
178.07755	2.8
179.03326	1.3
179.07080	2.4
179.08521	3.8
181.04979	30.7
181.06488	5.1
182.07228	4.8
183.08080	2.9
187.07535	2.0
190.07861	1.5
191.07098	2.9
191.08652	2.3
193.06474	3.7
194.07298	3.9
195.08040	9.5
196.05289	1.4
196.08781	2.5
197.05952	5.2
197.09569	2.4
198.06854	1.4
199.07539	2.3
203.08633	1.9
205.06500	2.2
205.08533	1.5
206.07339	4.6
207.08047	5.3
209.06062	3.6
209.09607	4.9
210.06750	6.7
210.10414	1.6
211.07439	9.4
212.08315	5.4
213.08899	2.0
218.07285	2.3
219.08090	3.0
220.08736	2.6
221.06039	5.3
221.09593	10.6
222.06766	3.5
222.10335	2.0
223.07530	13.0
224.08310	5.6
225.05504	3.0
225.09036	7.5
227.07042	5.7
227.10648	4.0
229.08736	1.6
234.06796	2.5
235.07681	2.9
236.08246	2.7
237.05499	2.8
237.09099	11.6
238.06235	3.0
238.09940	7.7
239.07030	7.3
239.10649	2.9
240.07825	13.3
241.08603	5.7
248.08316	1.7
249.09085	11.5
250.06149	1.5
250.09877	2.9
251.07056	10.0
251.10764	2.0
252.07808	7.1
253.08582	25.3
253.12263	7.7
254.09158	3.2
255.06447	8.7
255.10182	7.6
257.08054	8.4
263.07098	1.6
265.08661	7.7
266.09491	6.9
267.06906	1.7
267.10165	9.0
268.07336	5.1
269.08109	15.4
269.11127	2.1
270.08832	3.6
277.08591	3.8
279.10278	2.4
281.08105	7.5
281.11719	10.2
282.12454	2.1
283.06100	3.9
283.09647	14.5
284.10300	2.8
285.07687	5.1
285.11197	8.8
289.07263	1.9
295.09650	4.0
295.13171	1.4
297.07614	7.7
297.10892	2.9
298.08374	8.2
298.11755	2.4
299.09293	2.9
299.12842	7.9
300.09912	22.2
309.11179	9.7
310.11969	2.2
311.09131	2.5
312.10046	1.6
313.10693	88.0
313.14352	58.7
314.11002	2.3
323.12830	2.2
326.11493	8.3
327.12256	27.4
329.13507	1.8
331.15384	21.7
341.09790	3.1
341.13821	50.7
341.22430	2.6
347.70868	1.5
359.14883	100.0
359.23468	10.7
359.73645	3.3
360.15057	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	359.1331
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
55.05502	0.7
67.37104	0.5
67.49614	0.5
68.05019	1.1
68.99798	2.6
69.07047	1.0
70.02362	2.4
70.06559	0.7
72.08115	0.7
79.05489	1.3
81.03378	1.8
81.07042	1.3
83.06586	0.5
84.04494	7.5
86.09730	3.2
91.05474	3.7
93.07032	1.5
95.04928	0.9
98.20821	0.6
103.05469	1.0
107.04961	0.5
108.05645	0.6
109.06480	0.8
110.09619	0.6
111.08064	1.1
112.12943	0.5
114.05522	3.7
119.04926	1.6
121.06470	2.0
123.04426	2.1
123.08072	1.8
130.05006	4.3
132.10204	1.9
133.06476	1.1
134.05974	0.6
136.05113	0.8
137.05995	1.4
138.09129	1.9
142.04991	6.4
147.04401	0.8
149.02278	1.7
151.07527	17.1
153.01869	3.3
155.07021	7.6
163.03882	1.4
164.04671	2.5
167.03358	0.7
167.06978	0.6
169.08548	1.3
178.05064	0.9
179.07016	36.1
184.09665	10.2
197.08073	100.0
198.08357	1.5
198.11259	3.3
206.04488	1.4
207.99716	0.5
220.03221	0.8
234.04039	1.0
244.11748	2.5
252.05052	0.7
258.12955	0.5
269.18527	0.5
314.03714	1.1
315.19095	11.3
318.03564	0.7
319.04025	3.0
332.07846	0.7
342.06299	0.8
343.04462	2.3
344.04150	0.7
359.04855	2.0
359.05545	2.1
360.07190	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	358.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.3
57.78628	1.7
66.67043	1.4
69.03421	2.8
70.91505	5.1
81.03445	2.0
84.08160	2.1
85.02904	9.8
86.06023	1.9
97.02880	2.5
98.97596	2.5
109.23467	1.5
116.98613	2.0
127.03887	2.8
139.61465	1.9
191.03894	1.7
196.03705	100.0
196.05975	10.0
205.05292	1.7
209.85159	1.7
237.02605	2.3
261.03003	2.0
287.00415	2.0
340.11810	1.8
358.08936	59.4
359.08807	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	359.0757
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
62.93167	0.3
67.05460	0.4
71.16480	0.8
79.20914	0.4
81.07053	0.6
94.43201	0.4
95.04913	0.3
95.08587	0.4
141.06960	0.5
145.06436	0.6
148.76083	0.4
155.04907	1.3
157.06453	1.3
169.06480	0.4
170.03645	0.5
171.04454	1.0
173.05968	0.7
183.04381	1.4
184.05025	0.5
185.05966	1.4
187.04086	0.6
198.03145	0.4
199.03912	1.3
199.07556	0.4
201.05458	1.8
202.02744	0.5
211.03918	1.2
212.04639	0.4
213.05493	2.1
214.02649	0.6
217.04930	0.9
218.56741	0.4
225.02173	0.4
226.02628	1.4
227.03316	2.1
228.04097	0.7
229.04959	1.7
230.02094	0.9
239.03395	0.5
239.07109	0.4
241.01294	2.8
241.04970	1.2
242.01854	0.8
245.04483	2.7
253.01256	0.4
254.02118	0.8
255.02852	2.6
256.03574	0.8
257.04443	3.4
258.01544	1.0
259.02322	0.5
267.02936	0.5
269.00790	2.9
270.01523	4.5
271.02335	2.2
273.03891	2.7
283.02393	1.9
284.03256	2.9
285.00702	0.9
285.03900	9.4
285.06915	0.8
286.01065	9.6
287.01913	0.9
297.00311	1.3
298.04733	0.5
299.01886	1.2
299.05484	3.7
300.02625	1.7
300.06238	1.2
301.03412	7.8
303.04929	0.7
309.15030	0.4
311.01898	1.1
312.02658	1.3
313.03378	9.9
314.00586	0.8
314.04010	1.2
315.04825	3.0
316.05692	0.6
326.04214	1.6
327.04935	0.5
328.02216	1.0
328.05731	16.3
328.09735	0.9
329.02859	15.9
330.03534	1.4
343.04431	4.7
344.05246	27.5
345.05600	0.8
359.07578	100.0
360.07941	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	357.1695
Annotation	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone
Peak:m/z	Relative Intensity
54.67473	1.4
55.01871	2.5
55.05502	3.7
57.03404	2.0
57.07077	3.2
65.79256	1.4
67.05493	13.7
69.07057	3.6
71.05006	2.2
71.72720	2.5
79.05479	6.2
81.03403	2.7
81.07049	11.8
82.50635	1.5
83.06079	2.5
83.08624	2.8
84.04482	9.3
85.02888	1.9
85.06555	7.4
91.05466	6.8
93.07032	5.8
94.04176	2.7
95.04949	4.1
95.08586	5.8
97.06522	2.0
105.07021	5.1
107.04950	10.8
107.08574	4.8
109.06507	2.4
109.10134	4.4
110.07224	1.7
115.05466	3.8
117.07001	2.1
119.04983	1.7
119.08567	4.5
121.10120	4.3
122.03613	8.2
123.11708	3.9
130.04970	6.3
131.04944	3.0
133.06378	1.3
133.10115	3.1
135.07994	1.7
135.11679	3.9
137.05971	100.0
137.09566	3.5
138.06270	3.5
139.11107	1.8
142.83713	1.4
143.04924	5.6
145.06406	1.9
145.10080	2.5
147.04367	3.2
147.11641	3.6
151.03903	23.8
153.01750	2.8
153.05435	1.7
159.11629	1.6
161.05923	2.3
161.09595	1.6
163.07471	1.9
165.06984	3.8
165.09106	3.3
165.12672	1.5
167.06995	5.4
169.06503	1.6
175.07523	3.7
177.05479	3.0
178.07672	1.9
181.06456	3.1
182.07091	1.8
183.08069	1.8
184.08707	1.4
191.08499	2.0
194.07190	3.4
195.08006	3.8
197.06041	3.5
197.09558	1.7
198.06754	2.3
199.07367	1.9
203.06972	5.0
203.08649	2.0
205.06642	1.7
205.08501	2.8
207.08118	2.6
209.09506	2.8
210.06737	5.3
210.14902	2.4
211.07541	6.2
213.09094	2.3
218.07291	2.2
219.07971	4.3
221.06015	1.7
221.09633	2.7
222.06697	5.1
223.07487	6.1
224.08183	3.1
225.05559	3.6
225.09052	4.8
227.07005	3.1
227.10559	2.2
234.06743	2.1
235.07443	4.7
236.08209	2.5
237.09056	5.4
238.09700	1.8
239.06940	4.0
239.10699	1.8
240.07806	4.1
241.08592	6.9
247.07480	3.2
247.11304	2.3
248.08228	1.8
249.09039	7.3
250.06250	4.2
250.09834	3.0
251.07001	4.3
251.10690	2.0
253.08568	9.6
254.09296	2.4
255.06363	1.8
255.10178	6.8
257.08206	4.1
258.08731	2.0
264.07565	2.4
265.08643	6.2
265.12079	3.4
266.09158	3.9
267.09995	1.8
268.07391	1.9
268.10876	1.7
269.07950	2.0
269.11728	4.3
271.06076	1.6
271.09473	2.8
273.11487	1.8
275.10556	3.8
276.11304	1.7
277.08722	2.0
278.09299	1.7
279.10117	2.9
279.13699	3.8
281.08841	1.3
281.11725	8.9
283.09653	16.6
284.10040	1.6
285.11151	15.1
293.11588	2.3
295.09665	2.9
297.11288	3.6
307.09875	2.8
307.13257	12.6
308.14020	6.6
309.11111	2.1
310.11893	1.7
311.12650	4.3
311.16193	2.4
324.13507	3.7
325.05829	2.3
325.10587	3.7
325.14212	3.3
327.12283	9.7
329.13879	1.8
330.51898	1.6
339.12137	3.7
339.15869	30.2
339.25241	3.8
357.13153	20.6
357.17090	21.0
358.03638	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	357.1694
Annotation	Juglanin A
Peak:m/z	Relative Intensity
51.60889	1.8
55.01860	5.3
55.05491	2.8
67.05492	5.4
67.90196	1.8
69.07060	2.8
69.47192	2.2
69.47599	17.3
70.10086	1.9
71.04983	5.0
75.81647	1.8
79.05484	5.6
81.03438	2.2
81.07065	11.5
85.02873	2.6
85.06512	2.6
90.70926	1.7
91.05467	5.4
93.07057	2.7
95.04964	3.3
95.08577	3.9
97.02884	1.8
98.20763	4.0
99.08091	94.0
100.08424	1.8
103.07039	1.6
105.07020	2.6
107.04949	19.9
107.08594	2.0
115.05418	3.7
128.06258	2.4
129.06960	2.2
131.04918	3.0
133.06427	2.1
137.05936	14.0
141.06958	2.8
145.06517	3.1
151.03865	2.2
153.06989	4.2
156.05679	5.2
157.06516	2.8
159.08057	1.9
161.06009	3.0
165.06969	3.7
167.07040	4.2
168.05664	5.5
169.06462	6.0
171.08075	10.4
175.07559	2.1
177.05444	2.9
178.07803	5.7
179.08571	6.4
181.04997	3.2
181.06488	6.6
182.07214	3.1
183.08069	3.2
184.05180	17.9
185.05960	6.8
189.07060	3.6
190.07759	2.3
191.07034	3.3
191.08609	3.6
193.06615	2.6
194.07265	3.8
195.08002	5.6
196.05194	2.9
196.08778	3.8
197.05971	4.3
198.06746	9.1
199.07536	38.4
200.07835	2.1
203.06995	3.0
204.09351	1.8
205.06551	3.0
206.07306	3.2
207.08034	13.7
208.08838	4.5
209.05971	4.0
209.09647	2.3
210.06804	9.5
211.07492	14.2
212.04620	11.6
212.08209	3.8
213.05379	5.0
213.09058	6.0
215.07065	4.3
217.06477	1.9
219.08041	5.5
220.08719	2.5
221.06009	3.1
221.09677	4.0
222.06720	4.2
223.07527	6.9
224.08235	10.7
225.05647	2.2
225.09027	5.4
226.06213	7.1
227.07021	26.1
228.07718	5.4
229.04991	6.5
229.08583	6.1
232.08839	2.3
233.09538	2.4
234.06787	6.4
235.07504	26.3
236.08293	12.1
237.09047	9.3
238.06273	2.7
239.07031	9.4
239.10626	15.2
240.07857	5.2
241.08586	26.9
242.09215	2.3
243.06508	3.0
244.07341	7.5
247.07564	5.7
247.11218	8.0
248.08266	2.2
249.09114	7.1
250.06310	4.8
250.09795	4.5
251.07056	9.2
251.10564	3.8
252.07805	16.2
253.08601	6.9
254.09383	2.6
255.10126	13.1
256.07205	4.3
257.07962	8.7
259.09653	74.1
260.10117	3.0
261.08987	3.0
263.07098	2.2
264.07922	2.7
264.11432	4.4
265.08572	19.0
266.09418	4.8
267.10159	71.9
268.10513	3.5
269.07910	2.7
270.08817	2.5
271.09656	30.9
273.11423	2.1
275.10583	20.3
276.11279	2.7
277.08673	5.2
279.10617	10.6
279.13638	13.2
280.10977	1.9
281.11679	10.7
282.08643	1.9
283.09558	7.9
289.12064	3.2
291.10114	2.6
292.11090	2.9
295.09573	2.9
297.11191	15.1
307.09845	2.6
307.13269	61.0
308.13824	5.6
309.11307	4.3
310.11932	2.1
311.12820	4.3
311.16431	3.8
324.13663	2.9
325.14288	7.7
327.12308	6.4
339.11804	3.6
339.15894	73.8
340.16165	6.5
357.13184	9.1
357.16980	100.0
357.24365	6.6
358.17377	4.2
358.31812	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1693
Annotation	Juglanin A
Peak:m/z	Relative Intensity
55.01853	2.8
55.05518	1.3
67.05507	1.7
69.07061	1.5
69.44207	4.9
69.44625	9.3
71.04973	3.7
71.45166	1.2
75.06084	1.2
79.05482	5.1
81.07055	12.0
85.06513	2.2
91.05484	2.5
93.07048	2.4
93.33652	1.3
95.04962	1.6
97.06514	2.3
99.08091	88.9
105.07031	1.4
107.08583	1.7
119.85212	1.3
128.06235	4.5
129.06967	1.6
141.06995	2.5
145.06418	1.7
152.06174	2.3
153.07007	3.4
156.05705	3.8
157.06390	1.9
165.07018	3.8
168.05751	3.4
169.06445	5.3
170.07336	2.8
171.08017	10.0
178.07765	3.6
179.08569	4.8
181.06467	6.0
182.07259	3.3
183.08032	4.0
184.05200	18.2
185.05968	4.2
185.09697	2.4
189.06918	1.8
191.08490	3.3
194.07202	3.8
195.08086	5.4
196.05223	4.2
196.08820	1.9
197.06044	3.0
198.06717	7.5
199.07542	35.7
200.08110	1.9
201.09093	1.4
204.09256	1.4
205.06517	2.9
205.10193	1.5
206.07259	3.6
207.08064	11.7
208.08632	2.1
209.05965	4.8
209.09444	1.8
210.06720	5.7
211.03876	1.3
211.07556	10.1
212.04694	7.4
213.05388	4.8
213.09074	4.9
215.07143	1.9
215.36360	1.4
218.07150	3.2
219.08044	3.6
219.11676	2.1
220.08823	2.6
221.06071	2.3
221.09549	4.7
222.06754	4.8
223.07547	6.1
223.11324	1.4
224.08287	8.6
225.05461	3.2
225.09082	3.7
226.06145	6.5
227.07005	24.5
228.07588	2.7
229.04913	5.7
229.08618	4.4
231.08147	1.7
231.10184	1.6
232.08806	2.1
233.05977	1.6
233.09601	2.4
234.06778	3.7
235.07527	21.8
236.08311	9.8
237.05431	3.4
237.09056	8.1
238.06210	2.9
239.07080	8.4
239.10703	11.5
240.07773	6.2
241.08603	23.4
242.09070	1.4
243.06445	3.1
243.10037	1.4
244.07278	5.8
245.09717	1.5
247.07555	3.7
247.11154	10.4
248.08415	1.8
249.09132	5.3
250.06313	3.2
250.09846	4.0
251.06992	8.2
251.10637	4.9
252.07811	11.8
253.08537	4.0
254.09441	4.3
255.10159	11.2
256.07266	4.0
257.07916	8.9
259.09650	76.4
260.10031	4.0
261.09140	3.7
263.06949	2.0
264.07861	1.7
264.11395	3.9
265.08591	19.4
265.12073	4.7
266.09253	6.1
267.10153	47.4
267.13052	2.2
268.10638	2.2
269.07977	2.4
271.09616	32.7
272.10098	1.6
273.11157	1.9
275.10681	20.8
276.11319	3.3
277.08713	1.8
278.09247	3.0
279.10217	8.5
279.13812	12.2
281.11688	9.6
282.08899	1.9
283.09628	12.4
283.12793	2.6
284.10117	1.5
289.12146	4.7
292.10910	4.0
293.11636	2.8
297.11227	11.1
297.14328	2.1
298.11920	3.5
307.13257	64.5
308.13852	7.1
310.12274	2.0
311.12714	3.7
311.16394	3.4
321.14761	2.4
324.13577	2.9
325.14258	6.6
339.15906	80.2
340.16354	6.9
357.16940	100.0
358.17230	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	357.1177
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
50.37420	0.3
51.72083	0.3
55.01847	0.5
57.03426	0.5
57.23341	0.3
65.03954	0.4
67.05502	0.3
70.06600	0.8
71.71193	0.5
79.05483	0.6
81.07050	0.5
85.02887	1.0
91.05406	0.8
91.05838	1.0
94.04169	1.7
95.01318	2.5
97.02854	0.6
103.05439	1.2
107.04922	0.7
119.04920	1.7
122.03640	5.4
129.01801	0.3
131.04927	1.6
137.05962	100.0
138.06294	2.8
139.03908	0.4
141.01801	1.0
147.04439	0.5
148.04712	0.3
150.87543	0.4
151.07541	1.1
162.68608	0.3
163.07549	1.7
177.03969	0.5
181.08571	1.6
191.03281	0.3
195.02875	3.1
237.03955	0.9
253.06969	0.6
357.06564	0.5
357.15479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03936	2.1
55.01869	22.0
55.05502	3.1
57.03431	3.8
57.07036	2.2
65.03935	4.1
66.04713	2.9
67.05502	10.4
69.03423	2.8
69.07050	8.6
69.18246	2.2
71.04975	3.2
71.31170	2.1
71.71960	2.9
76.57414	2.2
79.05480	10.2
81.03408	6.5
81.07027	12.3
83.08601	3.3
85.02910	6.8
89.03929	2.3
91.05437	16.6
93.07032	7.7
94.04177	9.4
94.29462	1.9
95.04958	7.3
95.08587	7.7
97.02906	4.6
103.05449	8.9
105.03362	2.4
105.07018	7.4
106.04100	1.9
107.04938	23.2
107.08585	6.1
109.06487	6.9
109.10136	9.0
111.04420	7.7
115.05467	10.3
117.07021	2.6
118.88165	1.8
119.04903	4.0
119.08553	5.0
119.96143	2.1
121.02825	2.8
121.06500	5.6
121.10147	5.1
122.03635	16.8
123.08076	2.8
123.11712	3.1
125.05994	4.8
125.09589	1.9
125.92426	1.8
129.07025	4.9
131.04927	10.8
131.08557	3.9
133.06479	3.5
133.10120	4.4
135.04446	3.2
135.11684	2.2
137.05962	100.0
137.09572	4.4
138.06281	2.3
139.03856	2.5
143.04924	7.9
144.05708	2.5
145.02875	2.6
145.06490	4.6
146.03598	6.2
147.04387	7.9
147.08084	2.6
147.11676	2.8
149.05972	8.3
151.03886	10.2
151.11140	2.6
153.05429	3.8
155.04941	5.9
159.04349	3.1
159.08014	3.9
161.05986	26.4
161.09634	3.6
162.06750	4.7
163.03897	2.8
163.07491	3.7
165.05475	36.1
165.06982	6.5
166.07739	4.3
167.07040	5.3
167.08485	3.8
171.04451	2.9
172.05203	3.6
173.06055	3.4
175.07529	7.5
177.05463	12.7
177.06831	2.5
177.09048	2.0
177.16220	1.8
178.07768	2.7
178.16583	2.1
179.08543	6.2
181.04968	3.7
181.06427	3.6
182.07175	2.8
183.04410	3.7
184.05121	2.2
185.05980	2.8
187.07523	5.3
189.05524	2.5
189.06924	11.0
190.07738	17.5
191.07021	3.2
191.08536	17.5
193.12262	3.6
195.08057	5.8
197.06032	2.0
200.04666	3.2
202.07837	4.2
203.07025	15.8
203.08574	3.0
205.06509	7.8
206.07233	5.5
207.08061	12.2
208.08765	3.3
209.09573	2.9
215.06960	10.3
217.06654	4.8
218.07259	21.0
219.08028	27.3
220.08675	3.7
221.05937	5.2
222.06671	5.0
223.07472	13.2
225.09128	18.9
229.06552	7.8
231.08035	2.9
233.06071	2.4
233.09598	2.6
234.06723	10.8
235.07506	17.3
236.08339	7.0
237.09113	10.7
239.07025	2.9
246.06750	17.8
247.07507	27.1
248.08208	3.5
249.05406	5.2
249.09108	15.8
250.06245	3.9
250.09927	4.0
251.06990	6.8
251.10696	7.2
252.07758	2.8
253.08687	3.3
257.05911	7.5
258.06595	4.1
261.09113	32.4
262.06378	3.8
263.07077	14.2
264.07755	15.7
265.08591	5.4
267.10159	4.7
269.08136	3.0
269.12073	3.0
274.06210	13.3
275.07010	17.9
276.07770	2.2
277.08521	26.3
278.09280	6.1
279.07034	3.1
279.10144	25.8
281.08112	3.3
283.09677	3.2
285.10138	10.2
289.08594	43.9
290.09250	4.0
291.06454	4.7
291.09827	3.1
292.07391	4.9
293.07864	4.8
294.08813	4.2
295.09521	10.7
297.11237	3.2
303.10388	3.2
306.08908	9.8
307.09637	70.8
308.10074	3.6
309.07852	3.3
309.11234	15.4
321.11224	58.5
322.11447	3.1
325.10635	4.7
327.12158	24.6
329.13766	2.6
339.12216	33.8
339.16327	3.4
339.23334	2.9
357.13248	25.2
357.24203	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	356.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43292	1.2
61.44548	1.1
67.05504	1.3
67.49618	1.1
69.03402	2.9
71.71198	1.7
73.04704	2.0
83.73385	1.2
85.02886	7.3
91.05334	1.4
91.05769	4.9
95.01310	2.0
96.41631	1.1
107.04922	2.0
119.04916	10.9
122.03613	3.4
131.04939	1.5
133.06477	1.6
135.04393	1.7
137.05960	100.0
141.01770	1.4
147.04390	49.4
151.07436	1.5
165.05449	27.1
166.05867	1.4
181.08600	1.6
191.03523	1.2
192.08559	1.3
194.08017	1.9
219.02878	1.7
237.03857	4.4
269.97672	1.7
284.00455	1.2
286.00980	1.9
356.07092	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03944	3.2
55.05508	37.9
55.92325	1.8
57.03428	10.0
57.07070	14.1
60.58632	1.9
65.03893	3.3
65.95546	2.3
67.05500	76.0
69.07061	41.9
69.47527	12.2
69.47952	7.7
70.06588	4.7
71.04976	5.7
71.08623	5.7
75.04490	2.1
77.00047	1.9
79.05484	24.1
81.03416	2.2
81.07052	100.0
83.04957	2.8
83.08618	28.2
85.06547	4.2
85.10169	2.7
88.07611	7.6
91.05399	16.4
93.07043	27.9
95.08601	80.4
97.06511	10.0
97.10174	22.9
99.08091	5.2
105.07024	14.9
107.08591	21.8
109.06548	3.0
109.10148	45.0
111.08056	4.2
111.11712	6.4
119.08556	13.3
121.10128	29.2
123.11700	21.1
125.09602	3.4
125.13236	2.5
133.10144	17.1
135.11667	14.4
137.13249	9.8
147.11665	12.6
149.13275	15.2
151.14832	6.8
161.13266	13.5
163.14798	15.4
165.12743	3.0
165.16377	7.1
175.14801	11.7
179.14322	2.7
179.17970	4.3
182.13547	2.0
189.16336	6.7
245.22629	46.7
246.22795	3.3
247.23996	2.3
262.89316	2.1
263.23700	42.2
322.75070	1.9
337.27362	29.8
338.27731	2.2
342.73242	2.5
355.07114	3.9
355.28366	8.8
355.33636	2.8
356.35229	37.7
377.69806	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03930	2.8
55.01855	3.8
55.05251	2.6
55.05505	40.0
57.03431	12.0
57.07069	12.3
67.05499	78.7
68.05833	2.8
69.07064	46.0
70.06580	3.1
71.04967	2.9
71.08612	8.6
71.96882	1.8
77.32291	2.0
79.05490	30.1
81.07052	100.0
82.07372	2.4
83.04990	3.0
83.08620	36.0
85.06547	4.7
85.10178	2.7
88.77553	2.1
91.05474	23.3
91.76701	2.2
93.07041	32.5
95.08600	85.5
97.06519	8.6
97.10165	22.5
99.08086	2.5
103.03890	2.9
105.07018	17.6
107.08603	19.7
109.10146	46.9
111.08079	6.8
111.11693	7.6
111.12411	2.5
113.09639	3.5
119.08563	13.3
121.10140	34.3
123.11697	25.0
125.13315	2.2
133.10136	19.3
135.11668	19.8
137.13226	11.3
139.11273	2.0
140.08566	2.2
141.12712	2.9
147.11681	13.1
149.13254	17.8
151.14821	5.4
161.13219	14.5
163.14830	12.5
165.16403	8.6
175.14803	11.7
177.16418	3.3
179.14272	2.3
179.17944	4.3
189.16394	7.5
203.17978	2.9
219.62747	2.1
245.22652	45.9
247.24214	2.5
263.23709	49.9
337.27368	32.3
355.28723	12.2
355.33820	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.75854	2.0
55.05502	38.9
57.03431	13.5
57.07082	13.7
65.03921	4.2
67.05153	3.9
67.05500	74.4
69.06710	2.8
69.07067	50.5
69.15084	2.0
70.01472	7.0
70.01900	7.2
71.04975	3.8
71.08609	6.9
79.05494	28.2
80.37437	2.4
81.03404	5.1
81.07047	100.0
82.07355	2.0
83.08609	38.3
91.05436	24.2
93.07034	36.8
95.08596	83.4
97.06537	14.1
97.10156	20.0
98.21412	2.5
99.08086	2.9
102.70648	2.8
105.07037	17.9
107.08581	22.5
108.13040	2.1
109.10146	49.6
111.08066	5.4
111.11697	5.6
119.08549	16.7
121.10141	28.0
123.08065	2.4
123.11683	25.3
125.13247	3.1
129.05443	4.6
133.10114	19.8
135.11688	16.6
137.09589	3.5
137.13213	9.7
137.99330	2.3
138.10854	2.6
139.11211	3.4
141.17360	2.3
147.11659	14.7
148.70929	2.1
149.13243	14.5
151.14792	6.3
161.13237	13.9
163.14767	10.2
165.16353	6.4
169.58183	2.9
175.14801	11.8
177.16464	2.5
179.14178	3.4
179.17981	5.4
181.15855	3.3
189.16356	3.6
193.15984	2.7
217.19530	2.5
245.22638	45.8
247.24406	3.0
263.23663	41.6
267.45987	2.5
337.27307	26.1
342.10739	2.7
355.07141	2.6
355.28229	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
53.03928	4.5
55.01853	8.5
55.05500	6.9
57.07061	4.8
67.05485	7.0
69.03418	7.0
69.07038	4.2
70.03114	22.5
73.04760	10.0
74.09712	3.8
79.05470	11.2
81.03401	7.4
81.07037	13.2
83.04945	4.7
84.33655	3.8
85.02888	5.7
85.06535	4.5
91.05852	18.6
93.07063	5.2
93.85313	3.8
95.04938	7.3
95.08591	6.0
98.20837	5.8
100.07668	3.6
100.11260	10.1
104.23513	3.7
105.07046	4.0
107.04937	5.1
107.08584	5.5
107.71690	3.9
109.06493	4.6
109.10135	9.3
111.04440	4.3
119.04881	5.5
119.08569	5.7
121.02812	5.7
121.10132	5.3
131.08549	4.3
137.05959	6.7
145.06526	6.2
145.10046	5.3
147.04347	5.1
153.06934	4.5
156.13818	15.2
157.18779	4.5
165.06989	7.9
167.07008	5.9
168.05611	4.7
173.93074	4.4
178.07735	10.3
179.08478	8.4
181.06526	9.2
182.07106	6.8
183.08035	5.1
184.13286	11.1
190.07799	6.8
191.08575	9.2
194.07240	7.3
195.08061	5.5
196.05177	6.5
197.06023	6.8
201.05421	12.2
202.07779	11.0
205.06480	12.9
205.09995	3.9
206.07251	8.7
207.08028	14.6
208.08813	7.5
210.06752	7.9
211.07504	13.8
214.06235	4.9
215.08536	5.1
217.10097	8.8
218.07214	7.0
219.08029	27.5
220.05273	5.0
220.08737	6.4
221.05956	15.8
221.09583	9.3
222.06740	9.5
223.07538	5.1
223.10912	4.4
225.09142	7.7
227.07024	12.3
231.08017	6.3
233.09674	7.0
234.06728	14.0
234.10362	8.3
235.07503	20.6
235.11122	6.8
236.08253	12.4
237.05194	4.1
237.09087	8.4
238.06161	8.3
239.07042	7.9
239.10768	5.7
241.08524	6.6
244.08762	3.9
245.09712	25.0
247.07561	26.9
248.08273	17.2
249.05373	6.8
249.09084	18.5
250.06195	6.3
251.07076	7.3
251.10730	8.0
252.07704	12.7
253.08464	10.5
257.07980	7.6
259.11182	5.1
261.09155	6.1
262.09824	9.5
263.07025	12.1
263.10599	13.4
264.07724	13.0
265.08527	19.1
266.09256	5.2
267.10101	8.7
268.97934	6.4
271.09634	11.7
273.09048	33.5
274.09686	8.6
277.08511	19.5
277.12018	23.8
279.10034	29.5
281.08282	7.9
281.11707	15.9
283.09344	4.9
285.00906	12.3
285.11197	9.5
287.10794	4.4
289.08734	4.5
290.09274	11.8
291.10107	5.9
295.09586	11.7
295.13162	9.5
296.10242	7.2
303.01947	5.8
305.11700	100.0
306.12344	6.0
307.10004	5.4
309.11368	6.7
309.14801	15.4
311.12735	13.8
322.11972	10.2
323.09033	25.9
323.12732	15.0
327.12158	15.3
337.10703	7.8
337.14291	82.9
355.02682	4.3
355.07166	6.5
355.11575	34.0
355.15399	44.9
355.22470	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	355.1536
Annotation	Licobenzofuran
Peak:m/z	Relative Intensity
50.97807	1.3
52.94093	1.3
52.95955	1.2
55.01853	2.9
55.05498	1.6
67.05482	2.1
69.67879	1.3
72.77890	1.3
79.05499	2.6
81.07056	2.0
83.04975	2.3
83.28394	1.4
91.05383	1.8
94.38228	1.3
98.20730	2.3
98.51851	1.4
103.73827	1.3
103.80161	1.3
118.98524	1.4
128.06143	1.4
129.06981	2.1
133.06456	2.0
138.48099	1.5
141.06978	1.8
145.06454	2.5
152.06087	1.6
153.06958	2.1
154.07703	2.0
155.08534	4.4
157.06459	2.8
165.06975	4.0
167.07047	4.2
168.05663	4.2
169.06493	3.0
178.07832	2.1
179.08575	3.8
181.06436	6.3
182.07254	3.5
183.04433	2.6
183.07994	6.4
184.05240	4.1
185.05960	2.0
189.06865	3.0
191.08522	2.9
193.06497	2.2
194.07185	2.7
195.08084	2.7
196.05174	9.5
197.05904	6.1
198.06648	3.2
202.07773	12.0
203.08472	4.7
205.06499	8.9
206.07256	3.2
207.04526	3.0
207.08038	7.9
209.05965	3.8
209.09624	1.9
210.06709	8.1
211.07611	12.5
212.04723	2.3
212.08289	4.1
213.05411	3.7
214.06079	2.0
215.08601	4.1
216.09306	3.8
217.10118	9.9
218.07170	2.9
219.07968	12.9
220.05188	2.6
220.08736	3.8
221.05954	8.7
221.09564	5.8
222.06662	4.7
223.07518	3.5
224.04582	4.4
225.05392	4.0
225.09093	2.8
226.07825	4.4
227.06805	10.3
227.08919	2.4
228.07651	3.1
229.08434	3.0
230.07266	2.1
231.08064	7.9
232.08769	1.9
233.05923	6.2
233.09570	5.4
234.06807	8.2
234.10387	5.7
235.07507	13.9
235.11081	3.7
236.08264	6.0
237.05487	2.2
237.09074	2.5
238.06194	5.4
239.07008	10.2
240.07770	4.8
241.08492	5.0
242.05707	4.2
243.08009	4.0
244.08870	6.6
245.05959	1.9
245.09595	34.5
246.06653	2.9
246.10309	1.6
247.07494	15.6
248.08267	5.9
249.05411	4.9
249.09116	15.9
249.12659	2.8
250.06166	4.9
250.09787	2.6
251.07028	3.4
251.10629	3.0
252.04266	1.7
252.07727	2.1
253.08463	7.9
255.08215	9.4
256.07120	3.3
257.07974	17.4
258.06659	4.5
259.07388	2.1
259.11121	6.2
261.09094	5.3
262.06192	4.3
262.09885	10.7
263.07352	8.2
263.10574	12.5
264.07773	13.8
264.10898	1.6
265.08548	18.3
266.09335	5.4
267.06458	4.0
271.09741	16.7
272.08273	3.2
273.09082	42.2
274.09955	9.3
275.07245	1.5
275.10623	4.0
277.08566	18.4
277.12186	31.7
278.12570	3.3
279.10150	10.9
280.10916	2.2
281.08105	4.2
281.11694	19.1
283.09598	1.8
287.10559	5.9
289.08600	4.7
290.09311	14.9
291.10043	6.1
295.09564	5.2
295.13235	5.9
296.10217	4.1
299.09167	3.4
305.11691	100.0
306.12283	11.2
307.09515	4.3
308.10455	3.6
309.11438	2.8
309.14716	11.0
319.13293	1.8
322.11963	3.5
323.12726	18.3
324.13397	2.3
337.14316	38.9
355.15359	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1173
Annotation	Viridiol
Peak:m/z	Relative Intensity
50.69653	1.4
55.01858	3.1
55.05499	2.2
57.76474	1.4
65.03957	1.7
67.05496	3.8
69.03410	3.8
69.07054	4.6
73.04731	3.6
79.05480	4.8
81.07050	7.1
85.02880	1.4
91.05435	6.2
91.05833	5.6
92.64500	1.4
93.07034	4.8
94.04165	4.2
95.04945	2.0
95.08576	4.2
97.06454	1.9
97.10117	1.9
98.21402	3.5
102.04649	2.8
105.03371	1.7
105.07024	6.2
107.04936	3.1
107.08562	3.5
109.06519	2.2
109.10133	4.1
111.04404	3.7
111.08109	2.9
115.05452	4.0
117.07001	2.7
119.04881	4.7
119.08565	2.4
121.10138	3.8
122.03622	7.9
123.08028	2.3
123.11668	1.8
124.05158	2.4
125.09607	2.9
128.06158	1.6
131.04919	1.9
131.08473	2.0
133.06468	3.6
133.10115	2.7
137.05957	91.8
137.09573	2.0
139.03899	6.7
143.04907	1.9
144.80943	1.6
145.06474	6.4
147.04390	5.1
147.08087	1.9
149.05978	2.6
151.03879	6.2
158.03625	7.0
160.05101	2.0
161.05939	10.2
162.06607	2.7
165.06920	1.8
167.07118	1.9
168.05672	1.6
171.04359	2.1
173.05952	13.6
175.03903	4.7
175.07487	4.4
176.06125	1.6
177.05522	2.3
177.06989	3.8
178.07753	6.4
179.08426	1.9
183.07973	1.9
185.05942	2.9
186.03154	7.5
186.06796	2.3
187.07611	3.5
188.04774	2.0
189.05421	3.2
189.06992	7.0
190.07785	2.2
191.08607	2.8
193.06483	1.6
194.07239	4.5
195.11830	1.6
199.03871	2.4
201.05441	100.0
202.05838	4.2
202.07730	2.9
203.06995	4.3
205.04747	2.1
205.06476	13.2
206.07227	13.6
207.06387	3.6
207.08112	3.7
208.08488	2.3
209.05965	2.9
209.09560	2.4
213.05408	5.3
217.06544	5.2
218.07167	5.3
219.08008	4.1
220.05176	2.6
221.05957	5.0
221.09554	3.5
222.06813	4.3
223.07501	4.4
224.08208	2.9
231.06459	6.7
233.05986	9.1
234.06725	37.1
235.07547	11.2
236.08173	4.8
237.05472	2.2
237.09114	9.2
238.06116	2.2
239.07072	3.2
244.05099	2.4
245.05934	8.6
245.09592	1.7
246.06708	4.2
247.07483	2.9
248.08282	3.1
249.05336	4.2
249.09085	12.6
250.06181	8.6
251.06938	12.2
251.10857	2.5
252.07826	3.1
253.08522	3.7
254.09535	1.7
259.07401	2.3
261.05420	6.4
261.09305	1.7
262.06238	30.6
263.06955	8.7
263.10455	1.4
264.07715	3.3
265.08572	14.3
266.09280	4.1
267.06503	4.2
267.10095	2.2
268.97809	3.5
269.11661	2.3
273.05432	6.6
273.08453	1.8
274.06265	1.8
277.08536	27.4
278.05786	3.4
278.08893	3.9
279.06503	8.6
279.09900	3.4
280.07333	2.5
281.08066	4.2
281.11722	2.1
282.08929	2.0
285.00977	3.0
287.06995	4.3
290.05716	37.0
291.06400	3.1
291.09906	2.4
292.07117	4.6
293.08063	13.1
294.08859	8.1
295.09555	10.4
296.10068	2.4
297.10922	3.9
304.07132	2.6
305.08063	63.0
306.08475	7.2
307.06027	3.6
307.09598	9.1
309.08105	1.9
309.11151	9.3
310.08273	2.2
319.09644	7.0
322.08160	5.3
323.09085	10.4
323.12546	3.0
325.10648	34.3
326.11066	3.5
327.12375	2.7
337.10663	70.7
337.23849	2.4
338.10989	3.8
340.09164	2.0
355.07288	4.6
355.11615	31.4
355.15817	2.2
356.07523	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05660	1.4
56.45387	1.5
68.50381	1.4
68.99799	2.0
70.00832	9.1
72.85363	1.7
73.04759	14.4
75.02687	1.5
91.05785	59.4
93.03720	2.1
114.07384	4.2
117.03400	2.4
135.90793	1.6
139.03923	6.8
144.53726	1.5
151.91580	1.4
155.03403	3.3
163.03889	8.1
164.07135	4.9
177.01726	1.6
182.08194	3.5
185.04269	5.4
192.03908	16.4
193.04707	8.9
195.03047	1.6
219.68352	1.4
268.97800	15.3
280.48840	1.6
285.00940	23.6
285.03680	1.9
301.03830	2.0
303.02191	5.7
309.19772	1.6
324.08307	3.3
355.06848	10.9
355.10211	100.0
356.10770	1.9
373.07840	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	355.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
65.27579	0.8
65.80414	0.8
66.67519	0.8
67.05510	1.0
67.94093	0.8
68.99771	0.8
70.06577	1.0
71.70377	1.0
73.04742	3.3
75.18211	0.7
79.05479	1.6
84.08159	0.8
85.24584	0.7
89.03897	6.7
89.05622	0.8
89.33145	0.7
91.05797	20.9
91.92287	0.8
95.04960	0.9
97.02901	1.1
102.06258	0.8
107.04954	2.8
109.02888	1.0
111.04458	0.9
117.03355	8.6
127.03941	0.9
135.04411	18.1
137.02341	1.6
139.03886	6.6
143.04765	0.8
145.02852	12.3
149.02477	0.8
151.03868	1.8
153.01764	0.9
155.03391	2.5
163.03891	100.0
164.04234	1.8
171.02899	1.1
181.04910	1.5
192.10103	0.9
193.05000	0.8
245.04613	0.8
268.97754	4.8
285.00955	5.5
303.02042	1.6
355.06845	5.1
373.08148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3363
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05499	16.3
57.05819	2.9
57.07075	19.5
58.02946	4.8
58.06596	21.1
60.04524	23.2
67.05493	13.2
69.07060	28.9
69.45464	34.6
70.02937	2.9
70.06574	9.4
71.08621	12.3
74.52728	3.1
81.07059	25.4
83.08606	18.3
84.08133	8.5
86.06052	5.6
87.06825	3.5
95.08600	28.5
97.10162	12.0
98.21427	5.5
99.88503	3.2
109.10139	12.1
111.11693	6.1
123.11716	5.1
137.13242	4.2
163.31509	3.6
268.29977	7.5
326.34299	6.0
336.32501	16.8
354.33649	100.0
355.28006	3.4
355.33951	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	353.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	100.0
57.07065	10.2
58.41496	3.5
61.57093	3.6
67.05505	24.3
67.05802	4.0
68.94509	3.7
69.07070	23.2
70.06596	3.5
71.72593	5.8
79.05495	9.6
81.07053	27.2
83.08614	89.7
90.66251	3.2
91.05481	6.9
91.97580	3.4
93.07040	13.9
94.25276	3.4
95.08595	22.1
96.94255	3.4
97.10150	14.7
102.47922	3.7
105.07043	8.0
106.47021	4.1
107.08598	11.1
109.10155	15.5
111.11711	8.3
119.08613	8.6
121.10104	8.9
123.11677	4.0
133.10107	6.7
135.11696	12.5
137.13200	5.9
147.11693	7.6
149.02272	5.6
161.13269	7.1
175.40004	3.7
193.05006	15.0
210.17499	3.5
217.19528	16.5
235.20567	10.7
261.22083	8.6
353.29279	31.7
353.79532	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	1.3
53.96067	1.1
55.05512	12.1
57.03422	5.3
57.07070	4.7
59.30529	1.1
59.72450	1.2
62.59722	1.1
65.03931	2.8
67.05502	89.5
68.05836	2.7
69.07063	15.7
70.07603	5.0
71.04980	2.9
71.08620	1.9
75.04482	1.6
79.05489	35.7
80.77546	1.0
81.07051	100.0
82.07336	1.7
83.04977	1.5
83.08630	8.9
85.06530	3.1
88.07597	1.1
91.05470	18.5
93.07037	46.1
95.04967	3.0
95.08598	72.3
96.08953	1.4
97.06521	3.6
97.10149	3.2
98.20648	1.1
99.08070	3.0
103.05449	1.2
105.07030	17.0
107.08594	33.3
107.09339	1.8
108.08915	2.0
109.10151	38.8
110.10502	1.2
111.07975	1.1
111.11742	2.0
113.09663	1.5
117.07018	7.7
119.08565	14.6
121.10137	34.7
123.08035	1.8
123.11698	24.0
123.12540	2.0
125.09632	2.3
129.07019	3.2
131.04926	6.0
131.08559	21.7
133.10126	12.6
135.11676	26.6
137.09639	2.1
137.13251	7.7
145.10095	13.8
147.08037	5.1
147.11639	13.5
149.02229	1.3
149.09743	1.6
149.13240	20.9
151.11227	1.7
151.14777	3.3
159.11685	14.1
161.13264	10.9
163.14825	12.3
171.56879	1.2
173.13249	17.7
175.14816	4.6
177.12604	1.4
177.16399	3.2
179.14343	2.8
187.14821	10.1
191.14220	2.1
201.16415	3.7
205.15981	1.6
209.15250	1.5
223.16957	1.3
233.22528	5.4
243.21063	23.6
244.21442	1.7
245.22775	1.2
248.13615	1.3
261.22131	88.2
262.22482	5.9
279.20554	1.0
279.23129	6.7
335.25781	12.4
336.41492	1.1
353.26791	24.7
364.56461	1.2
364.62302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
54.28350	0.9
55.05284	1.1
55.05506	14.5
57.03416	3.2
57.07062	4.6
58.51295	1.0
65.03928	3.1
67.05498	89.5
69.07059	12.7
69.71102	9.3
71.04960	3.5
71.08626	1.1
75.04453	1.7
79.05488	50.4
81.07050	100.0
82.07359	1.6
83.04977	1.8
83.08614	7.5
85.06522	3.1
91.05470	25.1
93.07036	61.4
95.04935	3.9
95.08598	71.4
96.99265	1.1
97.06519	3.7
97.10141	3.0
99.08063	1.5
103.98476	1.2
105.07024	20.3
107.08580	45.4
109.06503	2.2
109.09414	2.4
109.10141	32.9
111.08061	2.3
113.09536	1.5
117.07011	10.6
119.08572	13.9
121.10139	33.7
122.10512	1.4
123.08042	2.1
123.11693	20.5
124.11997	1.0
125.09721	1.1
130.46053	1.2
131.08560	21.9
133.10126	15.8
135.11687	29.6
137.13237	8.2
142.52641	1.3
145.10114	17.9
147.11682	11.8
149.09560	1.4
149.12120	1.9
149.13251	21.6
151.11061	1.1
151.14813	3.5
153.12714	2.4
157.10085	1.5
157.34094	1.0
159.11693	14.8
161.13243	9.9
163.14789	12.1
171.11624	1.0
173.13264	16.0
175.14780	3.9
176.62042	1.1
177.16325	5.2
179.14256	1.6
185.56334	1.2
187.14804	11.2
191.14305	1.3
201.16353	3.3
219.17500	1.2
233.22597	3.9
243.21077	22.9
261.22122	99.9
262.22473	5.6
263.23978	2.0
279.23044	3.5
335.25620	5.2
353.26889	23.0
354.26892	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.02353	0.7
53.03942	1.5
55.01875	0.8
55.05243	0.8
55.05510	13.3
57.03439	6.6
57.07071	4.2
58.30931	0.6
58.72578	0.5
65.03932	2.8
66.38013	0.5
67.05501	93.6
68.05828	1.4
69.07059	13.7
69.56313	5.7
71.04982	2.9
71.08629	2.1
75.04473	1.5
77.03926	1.0
79.05488	41.4
80.05823	0.8
81.07052	100.0
82.07385	1.2
83.04971	1.7
83.08624	5.7
85.06537	2.8
85.10194	0.8
89.03041	0.5
91.05473	18.3
93.07038	48.6
94.07372	0.9
95.04946	3.1
95.08600	76.1
96.05274	0.7
96.08917	0.9
97.06533	3.4
97.10169	3.9
99.08102	1.9
105.04499	0.7
105.07024	14.4
107.08586	35.2
109.06492	1.2
109.10152	37.3
110.10532	0.9
111.08055	2.3
111.11716	1.3
113.09628	0.9
117.07010	8.3
119.08575	11.3
121.10139	28.3
123.08057	1.9
123.11710	20.9
124.12074	0.9
125.09618	1.4
129.06990	0.8
131.08562	18.8
133.10126	12.9
134.10522	0.8
135.08127	0.9
135.11688	23.9
136.11964	0.8
137.09605	1.1
137.13243	8.3
139.11240	0.9
143.08543	0.6
145.10117	13.4
146.10439	0.7
147.11681	9.4
149.09578	1.2
149.13248	17.7
150.13644	0.8
151.11179	1.1
151.14841	2.8
153.12752	1.4
159.11678	13.2
161.13243	8.5
163.11197	0.9
163.14827	11.4
164.15076	0.7
165.12790	1.9
167.14313	0.7
173.13240	11.3
175.14856	2.1
177.12779	1.0
177.16388	4.1
179.14281	1.6
181.63248	0.6
187.14813	7.9
191.14360	1.5
199.24271	0.6
201.16402	2.5
205.15895	1.1
215.17729	0.9
219.17412	1.1
233.18968	0.9
233.22585	4.3
243.21097	21.2
244.21483	1.3
261.22125	86.6
262.22406	6.3
263.23743	0.9
272.89529	0.6
279.23196	6.6
335.25824	10.7
353.26859	22.3
354.27097	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01856	1.3
55.05248	1.1
55.05509	15.2
57.03441	4.7
57.07067	5.6
65.03931	3.1
66.94312	0.9
67.05499	97.6
68.05840	1.1
69.07063	16.0
69.47652	2.9
69.48068	6.0
71.04982	3.1
71.08622	5.0
75.04460	2.1
77.03936	1.0
79.05488	48.7
81.07051	100.0
82.07374	1.9
83.04978	1.6
83.08609	9.6
85.06556	2.2
86.02377	1.1
91.05472	24.0
93.07038	67.1
94.07354	1.2
95.04962	3.8
95.08601	70.4
96.08930	1.4
97.06510	3.6
97.10166	3.9
99.08102	4.9
105.07022	21.4
107.08587	44.3
109.06504	4.0
109.10146	34.4
110.10441	1.3
111.08073	1.8
113.09606	1.6
117.07011	9.3
119.08572	16.8
121.10139	33.7
123.08020	2.3
123.11694	20.8
127.11185	1.0
131.08562	22.8
131.09486	1.7
132.08887	1.0
133.10126	13.0
135.11682	28.6
137.09627	2.3
137.13229	6.9
139.11124	2.3
145.10109	15.4
147.11673	9.3
149.13252	21.9
149.74966	0.9
150.13589	1.1
151.11095	1.6
151.14845	1.6
153.12828	1.1
159.11681	15.1
161.13237	9.5
163.11142	1.1
163.14818	13.2
165.12781	2.8
173.13245	17.1
175.14835	3.0
177.16437	4.1
179.14259	1.5
187.14781	8.6
201.16330	2.5
205.15787	1.5
219.17349	1.1
233.22536	4.5
243.21091	18.2
244.21336	1.0
261.22137	86.6
262.22452	5.9
263.23593	1.2
274.81412	1.2
279.23172	3.5
291.23181	5.0
335.25745	4.1
335.46652	0.9
353.26846	29.9
354.27103	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0843
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
53.12526	2.9
57.22404	2.7
59.81630	2.8
64.90565	2.7
69.03432	6.9
69.37507	32.3
69.37818	6.7
73.02912	3.8
82.21251	3.0
85.02898	11.1
90.11545	3.5
97.02866	4.1
98.20718	5.9
102.61989	3.5
114.67091	3.7
119.25376	2.8
127.03907	11.0
135.96411	3.4
143.01926	6.2
155.01888	3.5
158.80333	2.8
161.02975	4.6
173.03061	5.2
174.04434	3.2
185.03035	3.7
186.36613	3.0
192.05615	4.5
203.03802	3.2
245.05191	8.8
248.36224	3.4
263.06250	3.3
353.08463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03932	3.4
55.05511	14.9
56.91866	1.7
57.03421	7.8
57.07055	5.4
67.05499	100.0
69.07062	11.6
69.45806	21.0
71.04987	2.8
76.06757	2.1
79.05489	41.8
81.07053	99.3
83.04954	2.4
83.08604	6.8
85.06509	3.3
91.05478	21.6
93.07035	54.7
95.08601	74.0
95.09211	4.2
97.06511	5.4
97.10162	3.2
98.21476	3.9
100.92394	2.0
105.07030	16.8
107.08585	31.1
108.08864	1.8
109.10142	35.1
111.08070	2.3
117.06987	9.7
118.27109	2.2
119.08570	12.2
121.10139	25.7
123.11707	20.2
131.08559	20.5
133.10152	10.7
135.11694	23.7
137.13237	7.2
145.10114	15.0
147.11699	8.9
149.13249	16.8
151.14737	2.8
159.11690	10.8
161.13220	10.0
163.14832	13.0
173.13251	15.1
175.14784	4.6
177.16335	3.4
187.14792	6.9
233.22580	3.6
243.21114	14.6
261.22128	76.3
262.22379	2.1
279.23224	7.1
317.24521	2.2
335.25739	8.7
353.26932	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	353.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
68.99789	7.1
71.69615	1.8
79.05450	1.8
81.03407	2.3
81.07026	4.2
86.09670	1.7
88.78236	1.4
91.29281	1.2
95.01351	1.4
100.55979	1.5
105.07010	2.8
109.02840	2.6
115.05464	2.3
121.02863	16.1
121.06512	4.3
123.04440	3.1
133.06387	1.4
135.04391	2.6
137.02293	4.6
137.05972	2.7
139.14903	1.5
147.04385	3.7
149.05960	3.4
153.01807	10.4
161.05930	3.1
163.03889	3.3
165.01833	1.5
175.03880	1.7
177.05457	12.6
179.03378	14.2
187.03969	2.3
189.05461	3.8
191.03398	10.5
193.01332	2.0
193.04990	2.5
203.03386	5.5
205.04977	23.3
215.03456	2.6
217.04970	29.3
219.02882	4.0
221.04439	12.2
229.04860	1.8
231.02869	3.0
233.04457	38.3
235.06073	2.2
243.02846	2.5
245.04440	31.4
246.05092	1.6
247.02353	4.6
248.02992	2.0
249.03842	2.1
261.03934	25.4
262.04617	2.1
263.05591	1.9
271.02267	2.0
273.03928	35.1
289.03418	77.3
290.03674	3.2
291.04977	100.0
292.05231	3.0
317.02914	27.6
335.03928	6.1
353.05087	1.7
353.15903	1.4
353.20547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.05
Annotation	CHEBI:81695
Peak:m/z	Relative Intensity
54.27911	1.0
55.01872	1.8
55.05508	0.9
55.74769	1.1
61.97879	1.0
67.01859	1.0
67.05478	1.4
68.99775	6.6
69.03430	1.4
70.06584	1.4
70.99434	2.7
73.37925	1.0
76.88943	0.9
79.05459	1.3
81.03369	1.1
81.07062	1.8
89.11182	0.9
90.86498	0.9
91.05465	3.5
93.07056	1.3
95.01334	1.8
95.04965	1.2
95.08560	1.0
103.05479	1.6
105.07036	2.7
107.01318	1.4
107.08561	1.8
109.02853	2.4
109.10143	2.0
111.00803	1.2
115.05502	1.7
119.04948	2.5
119.08571	1.2
121.02873	12.9
121.06513	2.9
121.10200	1.0
123.04424	1.8
131.04970	1.5
133.02792	1.1
135.04454	2.0
137.02336	7.3
137.05975	4.2
147.04408	4.2
149.02408	1.2
149.06009	3.2
151.11325	1.2
153.01810	9.2
155.06064	1.0
161.02373	0.9
161.05920	2.1
162.00681	0.9
163.03906	4.2
165.01802	2.2
171.04399	1.7
175.03928	1.6
177.05458	11.7
179.03375	11.1
187.03871	1.8
189.05424	5.1
191.03383	9.6
193.01286	1.7
193.05031	2.0
199.03894	1.3
203.03349	5.1
205.04953	20.7
207.02795	1.3
207.06566	1.2
215.03430	3.1
217.04953	33.3
219.02869	4.2
220.03584	1.1
221.04471	12.1
223.02544	1.2
231.02876	2.8
233.04437	37.6
234.04800	1.8
235.05948	1.2
243.02863	3.8
245.04446	33.3
246.05040	1.7
247.02328	2.7
248.02998	1.0
249.03798	2.1
261.03949	18.5
262.04526	2.4
263.05481	1.2
268.57465	1.0
271.02332	1.5
271.51489	0.9
273.03928	36.2
289.03403	80.5
290.03864	2.3
291.04959	100.0
292.05304	2.5
299.01816	1.6
309.21841	1.9
317.02896	21.1
317.06320	1.8
318.03378	1.9
321.07440	1.3
335.03967	4.9
353.05344	1.2
353.09982	1.3
353.13748	1.5
353.24017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75443	2.9
67.01854	2.7
67.05502	6.9
69.07056	10.8
69.38049	26.1
69.38459	6.3
79.05467	7.1
81.07042	7.1
91.05451	5.3
92.05842	4.1
93.07035	6.9
95.08608	8.0
101.82613	2.6
105.07022	6.6
107.04936	17.9
107.08596	7.0
109.10145	7.8
113.03441	2.8
117.07037	3.6
118.07319	2.7
121.10117	8.8
135.04398	72.5
135.05359	4.5
137.05951	4.8
147.04404	6.9
153.05479	9.9
157.77740	2.9
161.06001	5.4
163.03886	100.0
164.04094	3.5
173.05991	22.4
175.07552	11.2
187.07504	7.0
189.09123	3.4
195.06511	80.4
201.09111	12.7
203.07109	3.0
219.06525	7.8
229.08713	4.8
233.07974	19.3
247.09595	8.8
248.09981	11.6
257.15320	29.4
260.20950	3.1
266.77313	2.9
275.16357	3.1
285.14865	17.5
285.97629	3.3
298.19034	2.9
307.40744	2.8
317.17422	26.1
352.16364	5.0
353.06473	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01871	3.0
55.05510	22.4
57.03437	17.8
57.07071	2.9
65.03904	2.4
67.05502	56.2
69.07056	19.9
69.54812	14.3
69.55219	5.7
71.04991	3.4
71.08261	3.4
71.08630	50.2
78.65183	2.0
79.05490	49.8
81.03414	8.6
81.07053	62.7
83.04971	11.1
83.08618	9.1
84.17221	2.4
86.02445	2.2
91.05475	40.7
93.07042	64.6
95.04951	10.0
95.08604	42.4
96.03388	2.1
97.06531	9.6
97.10156	4.8
99.08092	34.3
105.07024	26.7
107.04248	2.3
107.04952	8.9
107.08592	34.5
109.06499	4.0
109.10143	21.7
111.08065	3.4
113.09663	4.0
115.05402	2.8
117.07004	10.5
119.08572	26.0
119.09348	3.3
121.10148	29.9
122.37026	2.5
123.08047	4.0
123.11685	4.9
127.75030	2.2
129.07001	6.4
131.08563	9.7
133.10129	19.6
135.08041	3.2
135.11681	40.7
137.09665	4.4
141.09116	3.8
143.08572	4.6
145.10153	8.9
147.11694	11.9
149.13263	12.0
151.11165	20.8
157.10098	5.6
159.11717	6.5
161.13234	17.1
163.11177	4.9
165.12715	2.7
167.10628	2.6
171.11708	4.1
175.14845	4.0
179.14305	100.0
183.11572	2.5
185.13243	4.3
199.14877	2.6
221.15421	3.3
235.16983	5.3
241.19656	3.8
259.20560	9.4
277.21616	40.3
351.25558	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01854	4.2
55.05495	16.8
57.03421	10.8
57.07075	3.7
59.72459	2.5
67.05499	49.6
67.39903	2.3
68.99738	2.6
69.07056	18.2
71.05016	2.8
71.70164	3.7
75.04436	2.5
79.05485	66.0
81.03400	3.1
81.07053	62.0
83.04978	3.7
83.08614	7.9
91.05473	54.3
93.07035	100.0
95.04962	8.2
95.08595	41.2
97.06526	4.0
97.10143	5.9
99.08091	4.4
105.07013	53.6
107.08583	53.0
109.06508	4.9
109.10159	19.3
117.07018	9.7
119.08569	47.6
121.06539	3.0
121.10133	47.2
123.08086	3.3
123.11694	5.3
129.07021	7.4
131.08563	21.3
133.10107	52.5
135.08054	3.1
135.11682	45.7
137.09622	4.3
143.08586	9.1
145.10155	21.9
147.11674	45.0
149.09685	3.5
149.13248	30.6
151.11176	3.1
157.10101	9.3
159.11658	22.8
161.13268	35.9
163.11208	3.1
163.14804	8.6
165.12756	3.2
171.11711	9.6
173.13228	10.8
175.14780	18.0
185.13214	12.3
187.14832	5.4
199.14851	10.4
205.08588	2.8
215.17937	3.9
231.17365	3.5
231.21077	8.5
241.19539	29.0
249.79027	3.0
259.20547	84.9
260.20856	3.6
269.10416	3.3
277.21637	15.1
333.24164	11.1
351.25421	67.0
366.36780	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.2
53.03940	4.1
55.01847	2.9
55.05504	30.6
56.22544	1.7
57.03432	16.3
57.07062	5.4
65.03934	4.1
67.05141	3.6
67.05498	70.3
69.03435	2.3
69.07059	31.3
69.57948	8.8
69.58378	7.4
71.04978	4.2
71.08624	37.0
71.36797	1.7
77.03918	3.0
79.05025	4.2
79.05486	78.2
81.03409	6.2
81.07047	79.5
83.04961	9.5
83.08604	15.6
85.06526	5.6
91.05470	57.9
93.07034	100.0
93.60611	2.0
95.04960	15.9
95.08595	51.0
96.08981	2.1
97.06524	6.4
97.10172	8.0
98.20716	3.9
99.08080	23.6
105.07017	61.2
107.04964	5.2
107.08575	67.0
109.06516	5.9
109.10143	20.8
111.08082	5.7
113.09647	5.0
117.07004	15.5
119.08576	54.8
121.06510	3.5
121.10129	51.0
123.08057	3.2
123.11685	3.7
129.06979	10.7
131.08530	20.2
133.10120	47.2
135.08116	3.0
135.11676	55.3
137.09660	4.6
141.09105	4.6
143.08562	10.6
144.20992	1.9
145.10118	20.5
147.11676	41.9
149.09644	2.5
149.13242	28.6
151.11147	14.6
157.10101	10.5
159.11688	14.7
161.09647	2.3
161.13246	37.4
163.11176	5.8
163.14806	10.7
165.06853	1.8
165.12659	2.6
167.08492	2.3
171.11681	13.4
173.13199	9.3
175.11243	2.1
175.14793	19.6
175.16206	2.2
177.12744	6.2
179.14294	60.2
185.13248	11.3
187.14891	1.9
189.12746	3.8
199.14870	7.6
203.14375	2.7
209.15411	2.2
217.19568	5.2
231.17461	3.2
231.21043	9.3
235.16995	6.1
241.19449	26.8
259.20551	69.1
263.10684	2.4
271.08539	2.2
277.21579	41.3
295.13303	2.7
303.97360	2.3
333.24356	6.1
349.12170	1.8
351.25366	70.5
352.25549	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
54.13351	1.7
55.01871	2.7
55.05507	19.7
57.03430	8.2
57.07062	4.4
65.03938	3.4
67.05499	47.7
69.07063	14.7
69.74886	6.5
69.75316	6.2
71.04996	4.3
75.04472	1.8
79.05483	74.0
81.03409	2.3
81.07048	63.8
83.04986	3.0
83.08611	9.8
85.02879	1.7
85.06542	6.1
91.05474	56.7
93.07036	100.0
95.04973	9.0
95.08598	37.4
95.89863	1.6
97.02924	1.9
97.06512	3.8
97.10181	3.7
98.20740	3.5
99.08073	3.5
103.05417	1.4
105.07016	62.3
107.04948	1.8
107.08582	54.9
109.06552	3.5
109.10152	16.5
111.08072	2.4
113.09669	2.5
117.07017	11.8
119.08569	57.3
120.08926	1.9
121.10134	44.1
123.08078	3.9
123.11703	4.8
123.67661	1.5
125.09634	3.4
128.06244	2.4
129.07013	12.0
130.07841	2.0
131.08554	21.9
133.06572	1.6
133.10115	50.4
135.08051	2.2
135.11681	47.5
135.12651	3.5
143.08546	12.5
145.10095	22.5
147.08113	2.5
147.11674	47.9
148.12086	1.7
149.09615	3.0
149.13235	29.5
151.11221	2.0
157.10123	12.7
159.11697	24.2
159.53069	1.6
161.13252	39.0
161.14549	2.8
163.11145	3.5
163.14795	11.6
165.12692	2.7
169.00911	1.6
171.11681	15.9
173.13290	14.3
175.11142	2.7
175.14790	20.7
177.12801	3.3
179.14281	2.4
185.13229	15.1
187.14816	4.1
189.00616	2.7
189.12808	5.2
189.16412	2.6
191.14314	2.9
199.14777	11.0
201.16403	2.8
203.14302	3.6
213.16370	5.3
215.18034	3.8
217.19560	3.7
229.93996	1.9
231.17397	2.9
231.21077	9.6
241.19481	39.5
242.20055	2.0
259.20560	92.2
260.20938	4.0
270.32755	1.6
277.21579	14.4
333.24182	8.3
351.25311	59.2
352.25748	2.2
355.07785	1.7
367.25381	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.5
55.05504	18.6
57.03415	8.1
57.07057	2.6
61.02895	2.1
67.05153	2.3
67.05499	42.7
69.03429	2.2
69.07063	17.0
71.04986	3.3
71.71362	2.3
73.30331	2.0
77.03878	1.8
79.05039	3.7
79.05486	64.6
81.07050	59.6
83.04952	6.6
83.08605	8.0
85.02884	1.9
85.06538	3.5
86.09702	1.7
91.05473	52.7
93.07036	81.2
95.04952	5.9
95.08593	33.3
97.06490	3.1
97.10158	3.3
99.08086	3.4
105.07020	52.4
107.08584	51.2
109.06496	4.4
109.10135	15.1
111.04455	2.9
111.08086	3.0
117.06992	12.5
119.04942	2.0
119.08573	46.4
121.10136	43.3
123.11691	5.4
128.06186	3.2
129.06979	8.4
131.08557	23.7
133.10117	45.2
135.04407	2.1
135.08057	3.4
135.11690	40.4
137.05977	12.3
137.09573	2.9
143.08522	11.4
145.10112	21.5
147.04366	6.4
147.08026	2.5
147.11674	48.2
149.09590	3.7
149.13251	21.7
151.11185	3.0
153.71985	1.8
157.10139	8.5
159.11664	19.2
161.13239	36.4
162.13603	1.8
163.03885	7.4
163.11169	3.9
163.14920	9.5
164.04407	1.7
165.09047	1.8
167.10667	2.1
171.11646	12.7
173.13268	10.4
175.07639	2.3
175.11229	2.7
175.14801	20.6
177.12724	4.3
177.16441	2.4
178.52943	1.8
185.13213	12.8
185.90227	1.8
187.14810	4.2
189.12784	2.6
195.11624	2.0
199.14751	7.9
202.02989	1.7
209.13058	1.7
213.16396	4.9
217.19502	3.6
221.15332	2.0
231.17471	4.3
231.20946	9.1
241.19513	33.1
249.18590	2.5
259.20554	100.0
273.14880	4.6
277.18018	4.2
277.21579	15.2
285.10034	2.2
333.24420	10.9
351.25430	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	351.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62420	0.8
55.85554	0.9
56.96566	4.5
57.03417	1.0
58.99836	1.6
70.22221	2.5
70.99838	0.9
82.99861	3.0
85.01390	4.5
86.99317	1.4
94.99877	0.8
98.97578	2.6
101.00877	24.6
103.02440	17.6
103.03933	1.1
104.26607	0.8
113.00896	4.7
115.02405	8.2
116.98624	1.4
117.03974	1.5
118.01138	3.0
119.01913	50.0
120.02035	1.0
121.03484	7.9
124.99091	1.5
127.02409	15.8
129.00334	5.1
129.03967	1.1
131.01901	26.1
133.03456	59.4
134.99634	1.2
137.02943	4.3
139.02396	2.5
141.03935	1.8
142.03436	1.3
143.00214	5.0
143.01881	26.7
145.03452	70.8
146.03642	1.1
147.01382	27.9
147.04973	1.3
149.02924	2.5
151.04507	20.4
155.01875	29.3
156.05035	1.7
157.03470	39.8
159.01381	1.3
159.04980	4.7
161.01248	2.8
161.02948	37.8
162.03104	1.4
163.04482	6.8
165.02428	2.4
168.05081	1.7
169.03456	4.8
171.01392	4.4
171.05052	1.8
173.02956	55.0
174.03662	3.5
175.04514	54.3
176.04768	1.2
184.04449	1.2
185.02931	39.1
187.04504	35.6
188.04716	1.0
189.00754	1.5
189.02397	12.4
189.06082	1.2
191.03995	2.4
196.04556	2.8
197.02873	1.4
198.06227	1.5
199.04565	2.9
201.05806	1.0
203.03998	95.2
204.04205	2.5
205.05577	1.5
207.03458	2.3
212.91975	1.1
213.00708	1.2
215.03989	23.3
216.54102	0.9
217.05518	5.8
221.05058	9.6
226.05627	4.6
227.03987	3.3
231.01534	1.1
231.03596	4.4
233.05092	2.0
245.05057	90.7
246.05283	3.9
249.02545	1.8
249.04810	1.4
255.03590	1.0
261.03748	2.9
263.06119	100.0
264.06427	4.9
273.04544	11.4
277.00827	1.3
280.94879	1.2
286.07645	6.1
291.05667	51.9
292.05869	1.1
298.95938	3.3
299.92630	0.9
309.06735	60.7
310.06638	2.6
314.07132	2.3
332.08362	4.2
333.06509	1.4
351.07690	68.0
352.07864	2.6
368.96725	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01262	2.2
51.94494	2.3
53.31638	2.6
65.14130	2.3
70.50738	6.1
74.11134	2.5
95.04447	2.5
99.68464	3.4
118.35378	2.7
128.17709	2.3
188.64194	2.3
207.71774	2.4
249.02766	3.8
351.06851	100.0
351.12537	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65915	1.0
59.16683	1.2
61.27335	1.1
67.05495	2.3
70.06577	2.1
70.60795	2.6
70.61166	2.3
79.01835	10.8
91.05470	1.3
95.04913	1.6
97.02895	2.0
105.06909	1.2
107.01334	2.1
107.04946	1.4
125.02339	5.3
128.12178	1.0
137.05898	1.4
138.05513	2.0
139.03897	14.0
141.87810	1.2
143.03381	11.2
150.05490	1.6
153.01820	100.0
153.02914	5.6
154.02138	1.2
165.05472	1.3
165.39249	1.1
167.03389	7.0
199.05986	4.8
231.02986	1.4
246.92694	1.3
261.04050	2.1
287.01868	1.5
289.03311	1.3
333.02362	3.3
337.32327	1.2
351.03421	2.6
351.12479	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	350.1348
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03926	0.9
53.97945	0.3
55.01857	1.3
55.05499	0.6
56.29470	0.3
57.03442	2.3
59.05013	0.3
60.04288	0.3
60.04521	3.0
61.02926	2.0
66.54958	0.3
67.05490	0.4
69.03059	0.4
69.03426	7.9
70.06553	0.3
70.89816	0.9
71.01331	1.1
71.04989	2.5
72.02945	0.3
72.08150	0.3
73.02900	0.9
74.06063	0.3
75.04457	0.5
79.05497	0.5
81.03416	1.6
81.07040	0.5
81.92386	0.3
86.09696	0.3
87.04448	0.4
91.05473	1.1
93.07037	0.8
94.71262	0.3
95.08595	0.7
97.02908	0.5
99.04462	1.5
107.08567	0.5
109.10145	0.5
116.04947	0.8
117.05505	0.9
118.06503	3.5
120.08109	0.4
131.06017	0.4
132.06879	0.6
132.08080	1.0
133.10168	0.3
135.11665	1.0
141.29755	0.4
145.07596	16.1
146.08328	1.1
147.09158	23.1
157.07607	0.8
159.09172	10.6
160.09933	1.5
161.10704	0.7
168.43497	0.3
173.07118	1.2
173.10760	1.0
175.08673	1.6
183.09229	0.3
184.09949	0.7
185.10713	2.9
186.11536	0.8
187.08643	1.2
187.12300	1.1
189.10202	1.5
191.08141	100.0
192.08490	1.8
193.08578	0.4
197.01616	0.3
197.10733	1.6
199.08693	1.3
199.12318	1.2
200.09424	0.4
201.10217	0.5
211.08649	0.4
213.10222	1.9
215.11829	1.5
216.07680	9.7
220.59349	0.3
225.10225	1.1
231.11241	0.5
233.09332	0.4
233.12820	0.3
243.11409	0.5
245.09198	0.7
245.12747	0.4
259.10812	0.4
263.13922	7.1
271.10709	0.7
278.24719	0.3
289.11746	3.6
296.25638	0.3
307.12863	51.9
308.13181	1.3
314.26917	0.4
332.28119	0.6
350.13440	46.1
350.28882	2.1
351.13733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.7
55.01871	5.0
55.05507	27.6
57.03415	6.8
57.07050	6.0
62.73135	4.6
67.05496	53.4
69.03432	7.9
69.07062	26.7
71.70469	5.9
75.23645	4.4
79.05492	45.8
81.07054	63.6
83.04948	5.2
83.08619	9.4
91.05470	54.1
93.07029	85.0
95.04971	28.5
95.08598	44.3
97.06503	14.7
103.05448	7.2
105.07021	100.0
105.82722	4.5
107.08574	47.5
109.06507	15.7
109.10139	44.0
115.05443	5.4
115.50337	5.2
117.07002	18.3
119.08571	90.0
121.06528	11.9
121.10123	74.3
122.15237	4.8
123.08039	8.2
123.11710	12.0
128.06186	11.4
129.07018	14.9
130.07736	8.6
131.08549	57.2
133.10109	49.1
135.08022	11.0
135.11652	18.2
137.09653	6.8
141.06966	7.4
142.07826	8.3
143.08560	33.3
145.10094	66.1
147.08055	8.0
147.11710	18.1
149.09584	11.6
155.08504	10.3
156.09305	15.7
157.10123	40.7
158.10938	7.1
159.08157	5.6
159.11656	24.7
161.09584	18.2
161.13286	9.9
163.11249	6.2
167.08562	6.9
168.09314	6.1
169.10126	19.2
170.10907	5.1
171.11703	25.6
173.09659	7.8
173.13214	25.8
175.14828	11.4
179.08553	10.6
181.10109	13.1
182.10797	7.2
183.11670	23.6
184.12097	5.0
185.13208	14.5
187.14825	26.9
193.10205	10.5
194.10854	7.8
195.11664	13.9
197.13200	14.5
199.14833	12.0
207.11655	5.8
207.31314	5.5
209.13301	23.1
211.14856	10.2
213.16360	6.6
217.89998	4.9
221.13182	6.5
223.14818	4.8
227.14288	11.4
230.12677	6.1
239.18059	4.7
251.17987	7.2
261.16406	5.2
263.82980	4.9
265.19781	5.4
275.20068	6.2
293.18918	6.6
349.25168	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.7
55.01871	5.0
55.05507	27.6
57.03415	6.8
57.07050	6.0
62.73135	4.6
67.05496	53.4
69.03432	7.9
69.07062	26.7
71.70469	5.9
75.23645	4.4
79.05492	45.8
81.07054	63.6
83.04948	5.2
83.08619	9.4
91.05470	54.1
93.07029	85.0
95.04971	28.5
95.08598	44.3
97.06503	14.7
103.05448	7.2
105.07021	100.0
105.82722	4.5
107.08574	47.5
109.06507	15.7
109.10139	44.0
115.05443	5.4
115.50337	5.2
117.07002	18.3
119.08571	90.0
121.06528	11.9
121.10123	74.3
122.15237	4.8
123.08039	8.2
123.11710	12.0
128.06186	11.4
129.07018	14.9
130.07736	8.6
131.08549	57.2
133.10109	49.1
135.08022	11.0
135.11652	18.2
137.09653	6.8
141.06966	7.4
142.07826	8.3
143.08560	33.3
145.10094	66.1
147.08055	8.0
147.11710	18.1
149.09584	11.6
155.08504	10.3
156.09305	15.7
157.10123	40.7
158.10938	7.1
159.08157	5.6
159.11656	24.7
161.09584	18.2
161.13286	9.9
163.11249	6.2
167.08562	6.9
168.09314	6.1
169.10126	19.2
170.10907	5.1
171.11703	25.6
173.09659	7.8
173.13214	25.8
175.14828	11.4
179.08553	10.6
181.10109	13.1
182.10797	7.2
183.11670	23.6
184.12097	5.0
185.13208	14.5
187.14825	26.9
193.10205	10.5
194.10854	7.8
195.11664	13.9
197.13200	14.5
199.14833	12.0
207.11655	5.8
207.31314	5.5
209.13301	23.1
211.14856	10.2
213.16360	6.6
217.89998	4.9
221.13182	6.5
223.14818	4.8
227.14288	11.4
230.12677	6.1
239.18059	4.7
251.17987	7.2
261.16406	5.2
263.82980	4.9
265.19781	5.4
275.20068	6.2
293.18918	6.6
349.25168	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	24.9
55.01870	16.4
55.05506	29.9
56.96558	6.0
57.02049	2.1
57.03431	22.9
57.07076	2.1
61.02904	2.8
61.43687	2.1
65.03927	5.1
67.05142	4.3
67.05499	83.5
68.99768	2.0
69.03434	4.2
69.07059	78.7
69.87766	3.5
69.88178	10.4
70.19399	2.0
71.04994	6.4
73.02908	2.4
73.38741	2.0
73.39182	2.2
76.50217	2.0
79.05485	70.7
81.03408	41.2
81.07047	95.1
82.07324	2.3
83.04967	18.8
83.08609	13.2
85.02905	4.1
85.06551	4.0
91.05471	81.9
93.07030	65.4
95.01324	25.3
95.04964	26.1
95.08599	63.7
97.02892	3.0
97.06527	32.2
97.10162	4.5
99.04414	2.8
99.08103	2.1
103.05468	4.8
105.07018	100.0
105.07732	5.0
107.04944	47.8
107.08587	33.9
109.06537	11.3
109.10162	14.7
111.08063	8.2
115.05454	3.5
117.07007	27.4
118.48478	2.4
119.08569	58.9
121.06493	8.9
121.10122	14.9
123.04427	5.4
123.08072	10.9
123.11721	3.1
124.89780	2.2
125.09639	3.2
128.06177	3.0
129.07007	6.6
130.07768	2.9
131.08554	37.9
131.20724	1.8
133.06485	3.3
133.10110	60.4
134.10498	2.7
135.08054	6.4
135.11691	16.7
137.09593	2.6
139.07549	3.0
141.07033	5.8
143.08525	4.5
145.06491	8.5
145.10097	30.6
147.11668	24.8
147.12726	2.2
149.07074	1.9
149.09581	12.0
149.13266	11.9
151.11182	3.1
155.08537	2.8
156.46458	2.0
157.10129	7.1
159.08008	3.4
159.11662	25.8
161.09523	2.7
161.13260	9.3
163.11180	9.1
165.09109	4.5
168.54950	1.8
169.10069	5.9
171.11720	4.1
173.13252	6.2
175.11154	3.4
175.85883	1.9
177.12743	12.6
179.14291	26.7
183.11636	5.7
185.13370	3.0
187.11148	12.1
195.13824	2.4
197.13312	2.7
201.12729	3.1
205.12268	2.8
205.49596	2.5
207.13707	2.1
215.14442	2.1
247.20616	4.4
257.19019	9.8
267.08978	7.3
269.10544	4.8
275.20035	69.3
276.20386	3.1
285.10248	12.2
287.11325	2.7
293.21118	3.2
349.23843	39.0
350.24051	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01861	4.8
55.05503	11.5
56.96556	6.1
57.03430	44.3
57.07064	1.7
57.52315	1.1
58.25155	1.0
61.02906	1.6
65.03939	2.2
66.35633	1.3
67.00806	1.1
67.05497	37.1
69.03416	2.8
69.07064	13.3
70.76162	4.8
71.04984	2.8
73.02892	1.5
79.05483	30.9
80.94145	1.2
81.03411	4.6
81.07048	31.9
83.04954	4.0
83.08619	6.2
85.02886	2.1
85.06536	9.2
91.03910	1.9
91.05475	46.4
92.05779	1.7
93.07037	40.1
95.04971	8.7
95.08590	23.1
95.09199	1.3
97.02904	3.3
97.06544	3.6
97.10166	3.5
99.04446	8.1
99.08098	1.8
101.15951	1.2
105.07018	35.9
106.07325	1.6
107.04941	4.0
107.08590	20.6
109.06492	11.7
109.10148	7.6
111.08092	2.7
117.06998	16.6
119.08566	30.0
119.09414	1.5
121.06510	2.8
121.10120	14.1
123.08051	3.9
123.11678	1.9
125.09606	1.6
129.06989	6.3
130.03120	1.1
131.08548	22.5
133.10107	18.5
133.11012	1.5
135.08052	5.3
135.11684	8.3
135.21768	1.3
137.09608	4.0
143.08559	5.3
145.10103	15.9
146.10512	1.5
147.11650	9.4
149.09587	5.3
149.13216	2.2
151.11240	1.8
153.12762	3.6
155.08510	1.5
157.10136	5.1
159.11659	11.9
161.09653	2.1
161.13232	6.0
163.11099	3.3
169.10063	1.4
171.11723	1.8
173.13245	5.4
175.11238	1.7
175.14830	3.6
181.12228	1.3
183.11676	2.4
185.13237	6.2
197.13316	1.8
201.16371	6.8
203.14308	6.0
209.15457	1.5
219.17416	100.0
220.17793	5.4
229.19582	1.6
239.17926	3.9
257.18924	5.8
267.09091	4.9
269.10571	2.0
269.17578	1.9
275.20041	20.7
276.20370	2.2
282.06711	1.3
285.10074	6.3
286.10406	1.1
349.23749	25.5
349.30991	2.6
350.24231	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49858	1.1
53.03933	2.9
53.64994	1.2
55.01861	3.9
55.05500	12.6
56.96550	3.8
57.03431	41.3
57.07072	1.9
61.02909	3.8
65.03931	2.2
67.05141	2.3
67.05497	38.3
69.03432	3.0
69.07054	11.7
71.04961	1.3
73.02901	2.4
79.05486	35.5
81.03403	5.8
81.07047	37.3
83.04975	3.3
83.08620	8.3
85.02901	3.8
85.06541	11.9
89.69846	1.2
91.03929	2.7
91.05470	48.9
93.07037	37.3
93.89195	1.2
95.04960	6.9
95.08595	22.2
97.02882	3.9
97.06495	3.8
97.10167	3.7
99.04446	5.1
105.04514	1.5
105.07018	32.8
107.04949	5.6
107.08581	20.4
109.06506	13.0
109.10139	7.6
111.08054	3.5
115.05486	1.4
117.07018	16.8
119.08567	31.6
121.06478	2.3
121.10111	11.2
123.08072	4.6
123.11710	3.1
128.06227	1.5
129.06987	5.2
131.08556	22.0
133.06677	1.3
133.10114	19.2
133.83740	1.3
135.08040	4.0
135.11700	7.4
137.04172	1.2
137.09605	4.7
142.36758	1.2
143.08554	5.6
145.10110	13.8
147.11691	11.3
149.04092	1.4
149.09589	5.2
149.13144	3.0
151.11186	2.1
153.12720	4.2
157.10109	5.2
159.11662	10.7
161.09616	1.6
161.13239	4.4
163.11186	2.3
169.10039	1.3
171.11725	2.1
173.13232	6.4
175.11223	1.3
175.14902	3.1
177.12732	1.5
179.14342	1.6
185.13184	6.6
195.13858	2.2
197.13283	2.4
201.16342	6.3
203.14308	5.5
213.07927	2.1
219.17422	100.0
220.17807	4.7
231.08917	1.4
239.17952	3.2
243.09064	2.2
257.19040	4.9
261.10165	2.1
267.09036	5.1
267.74493	1.2
269.10400	6.5
269.17453	2.4
275.20044	19.3
276.20413	2.1
285.10150	10.3
285.16910	2.2
287.11667	2.3
289.14313	1.4
308.11719	2.1
349.23749	24.1
361.54901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.7
53.03938	20.7
55.01867	20.3
55.05505	28.8
57.03435	23.6
57.07062	3.6
59.05000	2.1
65.03926	4.4
67.05499	80.8
69.03406	2.7
69.07063	70.8
71.04971	4.3
71.72295	2.5
71.77497	2.2
79.05029	3.3
79.05489	66.3
81.03413	36.3
81.07051	100.0
83.04973	15.0
83.08623	11.2
85.06529	2.1
91.05473	84.0
93.07038	69.5
95.01322	30.2
95.04959	28.0
95.08600	60.1
97.02866	2.5
97.05948	3.4
97.06527	33.9
97.10178	4.8
99.08047	2.3
103.05486	4.4
105.07020	97.3
105.37854	1.8
106.07333	2.4
107.04955	46.4
107.08588	31.1
109.06516	7.4
109.10167	9.7
111.04454	3.4
111.08072	4.7
112.05225	3.2
113.09600	2.2
117.07005	30.3
119.08560	51.0
121.06488	5.8
121.10116	11.4
123.04432	6.1
123.08053	12.5
123.11726	2.6
125.09633	2.2
129.06990	5.2
130.07800	2.8
131.08559	36.8
132.09117	1.8
133.06468	3.3
133.10115	65.8
135.08041	7.5
135.11678	15.6
137.09581	3.5
141.06978	6.1
143.08556	6.1
145.06477	6.5
145.10103	28.3
147.04396	3.7
147.11682	25.8
149.09613	10.5
149.13246	10.0
151.11150	3.9
155.08595	3.1
157.10132	6.4
159.07924	2.1
159.11684	25.3
159.15341	2.0
161.13214	9.3
163.11191	5.3
165.09077	2.9
169.10101	9.4
171.11697	6.0
173.13283	5.5
175.11177	1.9
177.12698	9.7
179.14278	35.2
183.11694	5.1
185.13251	2.8
187.11171	7.7
197.13170	1.9
205.12198	4.9
239.17873	4.3
241.14348	4.1
247.20729	3.9
257.18973	9.0
267.09012	2.0
275.20044	74.2
276.20331	3.7
285.10199	2.6
349.23712	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	349.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10757	1.3
71.53302	0.4
75.95230	0.4
79.18340	0.5
81.07059	2.2
84.04484	1.6
87.02651	0.9
119.04979	0.6
122.02678	0.7
131.01857	0.6
132.01077	0.5
132.05487	0.5
147.04404	2.9
153.01764	0.6
159.04591	0.5
173.02946	0.5
185.04213	1.6
187.03687	2.2
189.05493	1.0
202.08945	2.0
203.07309	0.6
247.04471	2.4
265.05582	1.4
286.06372	0.5
307.06586	1.2
321.00613	1.1
349.08896	100.0
350.09149	1.5
360.95676	0.4
367.08734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87206	0.7
55.01864	1.6
56.96540	0.7
57.03429	1.3
67.05479	1.5
69.03422	4.0
69.07063	41.0
70.06575	3.1
70.07388	0.8
70.37096	1.1
70.37450	3.0
81.03406	2.4
84.04494	1.1
85.02897	16.1
95.04956	2.8
97.02892	6.6
97.06519	5.7
103.03934	1.7
109.02859	4.1
112.07619	5.5
123.04430	2.3
126.05535	1.0
126.82243	0.8
127.03922	4.3
136.06163	4.0
139.03893	2.9
140.07054	42.3
154.08598	1.4
163.03937	1.2
168.06557	100.0
169.04889	1.0
169.06863	2.0
176.88879	0.9
179.03525	0.7
180.06554	2.6
182.08138	11.4
186.07587	17.2
188.05550	0.9
206.06509	2.1
206.08176	2.2
210.05756	1.4
210.07619	19.4
217.08253	1.8
228.08620	1.7
229.11972	1.2
234.07625	3.8
243.06346	0.8
276.08643	2.8
294.09805	1.2
325.03265	1.5
343.04333	4.2
348.10468	1.2
348.14172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0969
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01860	3.9
56.96549	3.9
67.05470	2.5
68.99762	1.8
69.03429	3.6
69.93881	9.8
72.08128	1.9
78.26941	1.6
84.08131	2.7
85.02891	7.1
91.79276	1.6
93.03327	2.0
95.04967	3.2
97.02849	5.6
103.97195	1.6
107.04942	3.0
109.02869	1.8
111.04418	1.6
111.75425	1.4
112.07601	2.3
113.03467	5.6
119.01859	1.9
121.02869	2.6
127.03918	3.0
135.04381	3.5
136.06171	5.5
139.03889	100.0
140.04182	1.6
143.01822	2.8
151.03873	6.9
153.01854	3.2
154.45015	1.6
161.02924	5.4
163.03891	9.2
167.03389	33.9
175.03842	2.1
179.03345	4.5
181.05006	8.8
185.04453	24.9
186.04416	2.0
191.03348	6.8
203.03891	2.2
205.04950	4.8
209.04395	5.5
216.03773	1.8
233.04349	2.2
237.02545	2.1
247.05949	4.6
251.05438	2.2
275.05396	2.3
293.06332	2.2
294.07678	1.9
335.43402	2.1
347.13040	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	347.0754
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
65.03924	0.5
67.01841	0.2
68.99769	1.2
69.03412	0.2
71.71141	0.2
79.05484	0.4
91.05434	0.2
92.02581	0.3
93.03418	0.3
94.04166	0.2
95.04967	0.4
103.05470	0.2
103.78056	0.2
105.03375	0.7
105.07018	0.2
106.04153	0.3
107.04956	0.4
109.02863	0.5
111.00785	0.9
111.04394	0.5
115.05397	0.2
117.07079	0.2
121.02852	2.1
121.06395	0.2
123.04409	0.4
125.06047	0.2
125.18484	0.2
126.03141	0.2
128.06235	0.2
129.06996	0.2
133.02805	0.6
134.03615	0.3
135.04404	0.5
137.02333	2.6
137.05978	0.3
138.03104	0.3
139.03889	6.1
145.06494	0.4
145.18036	0.2
147.04407	0.4
147.31641	0.2
149.02336	0.3
150.03131	1.1
150.07188	0.2
151.03888	0.5
152.00937	0.2
152.04724	0.2
153.01814	13.1
153.05443	6.2
154.02118	0.2
154.06203	0.8
157.06471	0.6
160.05215	0.2
161.05956	0.4
162.03107	0.5
163.03867	0.7
165.01816	4.3
165.05464	0.2
166.02588	0.5
170.02084	0.3
171.04385	0.2
173.05983	0.2
175.03802	0.2
178.02565	0.5
179.03407	0.4
181.01297	0.3
181.04967	2.3
183.02875	1.5
184.05150	0.3
185.05978	0.6
187.03795	0.3
188.04683	0.2
189.05441	0.3
194.02098	0.6
195.02785	0.2
200.04750	0.2
201.05476	1.1
202.06157	0.2
203.03377	0.4
203.07146	0.2
205.04929	0.3
207.02898	0.5
207.06493	1.0
209.00761	0.3
212.04666	0.3
213.05431	1.4
215.03365	0.4
216.04147	1.8
217.04890	0.7
219.02838	0.6
220.03607	0.2
221.04526	0.4
227.03363	0.4
228.04208	0.4
229.04950	4.3
230.05661	2.2
231.02916	0.2
231.06467	1.6
232.03796	0.3
233.04424	0.5
240.04195	0.2
241.04947	1.2
242.05769	0.3
243.02803	1.5
244.03645	3.1
245.04411	0.9
247.02342	0.3
255.02847	1.0
256.03528	0.5
257.04428	3.3
258.05225	9.2
259.05972	3.6
260.03091	0.3
261.03964	1.2
268.03494	0.2
269.04468	3.0
270.04788	0.2
272.03128	0.9
273.03958	0.6
274.04742	0.3
275.05234	0.3
283.02408	1.0
284.03131	0.9
285.03931	3.6
286.04694	8.4
287.05472	12.7
288.05936	0.6
289.03403	1.8
291.08572	2.8
296.03143	0.3
297.03885	0.4
300.02698	0.8
301.03378	0.8
302.04193	0.7
303.04953	5.6
304.05511	0.8
312.05823	0.4
313.03409	1.5
314.04211	2.2
315.04947	4.1
316.05679	0.6
317.02811	0.8
318.03790	0.4
318.07312	0.7
331.04446	9.2
332.05191	3.7
347.07571	100.0
348.07889	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.3
55.01848	4.3
55.05507	71.7
55.96962	1.7
56.05822	1.6
57.03432	28.2
57.07066	9.1
61.02901	2.8
65.03915	2.7
66.54552	1.5
67.05499	76.3
69.03426	1.7
69.07064	91.6
69.66727	10.7
70.06628	2.2
70.07392	1.6
71.04990	7.5
71.08622	3.1
73.02868	1.6
73.48660	1.4
79.05484	25.2
81.03431	1.5
81.07051	100.0
82.07366	2.6
83.04963	5.3
83.08613	55.6
84.04512	1.7
85.02885	3.1
85.06525	7.3
87.26362	1.5
91.05470	20.0
91.70712	1.6
93.07033	33.8
95.04935	3.2
95.08599	96.2
96.08929	2.1
97.06515	12.1
97.10155	32.7
99.04453	1.7
99.08073	5.1
101.06023	1.8
105.07024	18.8
107.04929	3.9
107.08589	19.0
109.06520	3.3
109.09417	3.0
109.10146	36.8
110.10495	1.9
111.08051	8.0
111.11710	14.6
111.46738	1.6
117.06995	1.6
119.08582	19.9
121.10126	29.7
122.37531	1.5
123.04353	2.3
123.08027	5.0
123.11698	15.6
125.09593	4.9
125.13267	3.0
129.05490	2.2
133.06416	1.7
133.10117	17.5
134.10442	1.9
135.08099	1.9
135.11674	28.0
137.05980	9.6
137.09557	5.9
137.13239	8.6
139.03900	3.6
139.11143	6.2
143.10614	1.6
145.43155	1.5
147.11687	13.7
149.13237	6.6
151.03789	2.0
151.11165	5.2
151.14806	6.4
153.12759	6.8
161.13248	13.3
165.12770	4.6
167.14229	2.6
175.14789	5.5
179.14265	5.4
193.19502	2.3
195.87544	1.5
207.08156	1.6
217.19511	17.4
235.20561	22.7
239.07034	1.8
245.04565	1.6
253.08548	2.1
253.21606	7.3
269.08072	2.2
295.09360	1.8
298.94363	1.5
299.09100	5.7
309.24182	14.9
313.10767	2.6
315.04947	2.1
327.12234	6.2
327.25296	63.9
327.29239	3.2
328.25403	3.1
345.06232	3.1
345.09604	2.7
345.13318	5.0
345.22220	1.6
345.26346	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2633
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.03162	1.3
53.03937	3.8
55.01873	3.1
55.05507	70.0
57.03155	2.5
57.03421	20.5
57.07074	9.0
61.65441	1.5
61.69287	1.7
65.03924	4.6
67.05498	64.8
69.03423	1.9
69.07060	78.1
71.04966	6.2
71.08638	2.0
77.03604	1.3
78.04664	1.4
79.05486	26.0
81.07047	100.0
83.04967	4.9
83.08611	50.1
85.02907	1.9
85.06544	6.8
91.05469	22.8
93.07034	35.0
95.04954	3.6
95.08595	88.9
96.09019	1.3
97.06527	13.9
97.10162	32.6
98.20659	3.3
99.08068	4.3
101.06013	2.4
105.07021	18.5
107.04952	3.4
107.08588	18.7
109.02890	1.6
109.06525	2.3
109.10147	35.3
111.04440	2.2
111.08046	6.4
111.08721	1.8
111.11713	9.6
113.09641	2.2
115.07523	1.6
118.06443	1.4
119.08572	15.7
121.10132	27.0
123.08038	4.7
123.11678	14.6
125.09630	3.5
125.13251	2.2
129.05542	2.3
131.04863	1.9
131.08542	2.5
133.10107	13.2
135.11668	26.9
137.05949	7.8
137.09596	3.9
137.13235	8.6
139.03905	4.0
139.11163	5.8
141.06999	1.5
141.09126	1.9
147.04527	2.3
147.11674	9.5
149.13245	6.1
151.11090	3.8
151.14795	3.5
153.12718	6.4
161.13268	8.1
164.07100	2.6
165.12744	2.6
175.07597	2.2
175.14842	5.3
179.14310	3.0
193.63625	1.5
195.06335	1.4
217.19534	17.8
218.43138	1.4
227.03520	1.5
235.07663	1.5
235.20573	22.4
245.23116	1.5
253.21564	4.2
257.08096	1.6
267.10223	4.7
269.08209	3.0
295.09714	2.9
299.09146	5.7
309.24258	10.2
327.12222	6.2
327.25287	54.6
328.25522	1.6
345.09744	1.5
345.13391	5.8
345.26285	44.4
346.26462	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	345.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.0
55.01858	3.8
55.05506	80.6
57.03433	23.8
57.07079	11.7
65.03925	2.3
67.05498	73.7
69.07058	95.4
69.32649	2.2
70.19702	8.2
71.04995	8.5
71.08614	2.4
79.05484	27.1
81.07047	99.9
83.04968	4.9
83.08614	54.7
85.06526	8.4
91.05465	23.1
93.07030	31.6
95.04929	1.9
95.08596	100.0
97.06497	12.7
97.10156	40.4
99.08094	4.1
105.07014	16.8
107.08585	20.3
109.06498	2.4
109.10143	45.9
111.08051	8.0
111.11713	14.4
119.08581	15.4
121.10125	31.9
123.08051	3.8
123.11699	14.8
123.76536	1.7
125.09580	6.1
125.13229	3.1
129.05450	3.5
133.10117	16.8
135.11685	29.7
137.05949	4.3
137.09578	5.1
137.13239	6.3
139.11140	5.0
140.75598	1.7
147.11667	13.5
149.13184	5.0
151.11140	4.5
151.14772	6.1
153.12706	5.9
161.13248	9.3
165.12672	3.9
175.07463	2.1
175.14799	3.5
179.14290	4.3
193.19395	2.0
217.19482	19.5
235.20573	20.5
236.20828	2.0
253.21585	4.8
309.24106	13.9
327.25241	64.9
328.25562	4.4
345.05795	2.2
345.26364	44.2
345.75308	2.2
346.26624	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	345.2633
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.03946	5.2
55.01857	3.7
55.05507	82.8
56.05834	2.6
57.03165	2.0
57.03430	28.8
57.07060	8.6
62.98957	1.0
63.58333	1.0
65.03900	1.8
67.05499	77.9
68.05814	1.2
69.03411	2.2
69.07062	100.0
70.07381	2.0
71.04984	8.1
71.08605	1.1
71.16484	3.0
73.06546	2.1
73.22793	1.0
79.05484	32.0
81.07047	99.9
82.07388	2.5
83.04975	4.9
83.08611	55.5
85.06539	5.8
85.10178	2.2
91.05468	18.9
93.07037	32.4
95.04978	3.4
95.08596	96.8
96.08933	3.1
97.06532	11.3
97.10160	29.2
99.08085	6.8
101.06028	1.7
105.07016	14.8
107.08578	18.5
109.06506	2.6
109.09419	2.3
109.10149	37.3
111.08070	10.0
111.11716	12.0
113.09615	2.8
115.07529	1.5
119.08569	16.6
121.10129	28.7
123.08062	4.2
123.11695	13.3
125.09608	5.1
125.13251	2.7
127.07533	2.0
127.11167	1.1
131.08510	1.2
133.10123	16.0
135.11671	28.5
135.12662	2.0
136.11998	1.0
137.09592	3.7
137.13231	6.3
139.11168	5.3
147.11670	10.9
149.13274	6.7
149.33044	1.0
151.11139	4.6
151.14804	4.9
153.12691	5.3
161.13243	8.5
162.06541	1.0
163.14824	1.5
165.12741	4.1
167.14436	1.3
175.14828	4.8
179.14331	3.1
217.19501	17.0
235.20558	21.8
236.20992	1.3
253.21626	4.3
309.24216	13.3
312.88861	1.4
327.25256	47.5
328.25711	5.0
345.26340	49.3
346.26785	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35065	2.3
69.07041	3.1
71.71812	2.6
79.05457	8.0
81.07047	5.9
91.05452	9.1
93.07079	3.9
94.04187	3.0
95.04939	4.3
97.02865	2.6
99.74699	2.8
103.05453	9.2
105.06977	6.1
107.04927	7.6
107.08589	3.2
109.06515	2.8
109.10131	5.9
111.04415	4.8
119.08575	3.9
121.06474	4.8
122.03619	8.5
123.04401	4.8
131.04916	12.5
133.06514	15.8
135.08005	6.5
137.05959	100.0
138.06316	2.6
139.03848	4.6
139.79369	2.6
147.04344	3.5
149.05920	3.9
151.07491	5.9
153.01871	2.5
153.05405	5.4
157.06357	3.1
161.05986	19.2
163.03874	2.8
163.07516	26.4
165.05617	2.7
165.07008	9.4
167.07060	3.7
169.06546	2.5
175.07565	4.9
177.05399	5.4
178.07875	3.5
179.07103	4.1
179.08589	2.7
182.07199	3.0
187.07697	2.7
189.05365	2.6
189.09076	5.2
191.07057	3.7
193.06442	6.7
203.07011	11.5
207.08087	2.6
210.06796	12.5
211.07384	4.9
221.05949	9.5
224.08313	4.9
225.09088	12.8
227.06972	3.6
235.07480	4.7
237.05505	3.2
238.06248	7.4
239.06947	7.4
239.10558	4.8
249.09154	3.8
252.07758	3.6
253.08601	27.3
255.06566	3.3
256.07132	3.9
267.10107	11.4
269.08078	4.8
271.10007	2.6
284.06821	4.1
285.11160	42.7
295.09613	7.4
299.05911	3.1
299.09146	14.3
299.12527	5.1
309.11243	7.0
313.10645	9.5
327.12335	42.8
345.02307	5.7
345.06100	8.0
345.13312	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54919	1.3
53.55318	1.6
55.05515	2.0
57.03447	1.9
57.07049	2.1
62.73666	1.4
67.05496	2.7
68.99781	1.9
69.03425	2.6
69.07048	2.8
71.39065	2.4
71.39397	2.2
79.05493	4.0
81.03436	2.6
81.07056	7.6
91.05502	7.7
93.07028	2.4
94.04185	3.1
95.04977	3.2
95.08594	4.7
99.08095	2.9
103.05468	7.1
105.07018	7.0
106.79894	1.3
107.04943	5.2
107.08554	5.0
109.06499	4.8
109.10156	1.8
111.08123	1.8
115.05457	1.7
119.04897	3.6
119.08604	2.2
121.06513	2.9
121.10163	7.2
122.03634	9.1
123.04399	3.8
128.06229	1.8
131.04878	8.2
133.06458	12.1
133.88586	1.5
135.08057	3.6
137.05963	86.0
138.06354	1.4
140.55302	1.8
141.05463	3.5
145.06450	2.9
149.05995	2.6
151.03912	3.5
151.07579	4.7
153.05457	3.5
157.06531	1.6
161.05952	4.2
163.07513	16.2
165.05482	33.6
165.06865	2.8
175.07516	3.0
176.82306	1.4
177.08965	1.7
177.16370	13.7
178.07779	1.6
178.34024	1.5
182.07355	1.7
183.06520	100.0
184.06943	3.9
189.09120	2.8
191.07117	1.7
193.06554	2.5
195.17545	1.6
203.03542	1.6
203.07030	3.6
210.06624	2.5
213.18506	5.6
221.06044	4.1
225.09094	4.5
238.06361	1.9
253.08582	8.3
255.06844	1.4
267.10114	4.3
269.12219	1.5
270.08774	1.8
277.08615	1.5
285.11157	14.7
294.08890	1.7
295.09540	2.3
306.42331	1.4
309.11331	2.2
317.02670	1.9
327.12360	11.5
345.02332	3.0
345.06070	6.3
345.13675	2.1
345.18253	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1328
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
51.90166	1.4
65.03928	1.7
67.05489	2.2
68.99791	2.2
71.70304	2.3
71.70682	2.5
73.02908	2.0
76.75365	1.6
79.05479	2.9
81.03394	2.3
81.07040	4.7
83.04982	1.8
85.02887	1.8
91.05467	6.2
93.07030	2.8
95.04967	3.6
103.05411	2.4
105.07017	2.9
107.04944	4.1
109.06476	2.5
111.04432	4.2
113.98691	2.3
115.05443	4.5
119.04919	2.4
121.02810	1.7
121.06499	6.3
122.03640	2.7
123.04438	3.4
125.06004	2.0
131.04900	3.1
131.57474	1.9
132.70233	1.7
135.04454	3.2
137.02359	2.0
137.05963	46.4
139.03932	1.9
143.04893	3.5
146.03596	3.2
147.11647	1.9
149.05991	7.2
151.03928	2.4
151.07547	2.9
153.01794	3.1
153.05476	4.6
153.06898	3.0
160.05243	2.7
161.05977	33.3
163.03897	2.1
163.07605	4.0
163.95044	1.8
164.20711	1.6
165.05458	18.1
165.07004	16.5
167.08484	2.3
175.07515	6.8
177.05489	6.2
177.06917	1.9
179.07039	3.0
179.08560	4.4
180.45459	1.6
181.06465	6.4
182.07239	8.0
183.06523	47.1
183.07875	2.7
188.04698	7.3
191.07059	5.6
193.06499	17.2
193.08316	2.5
194.07185	2.9
195.08046	3.2
196.08826	3.0
197.06026	2.5
197.09613	3.0
203.07059	15.0
207.08122	4.9
209.06027	3.3
210.06741	18.3
211.07475	3.3
221.05983	27.6
221.08057	2.6
221.25761	1.7
222.06725	3.0
224.08342	6.1
225.05614	2.5
225.09064	33.5
226.09492	3.0
227.07069	4.8
234.06679	3.6
235.07491	6.0
236.08217	1.9
238.06233	15.3
239.06883	3.3
239.10704	4.4
241.08722	2.1
243.01700	3.0
251.07048	3.7
252.07808	6.7
253.08595	56.1
254.09219	3.5
255.06506	7.2
266.09320	2.7
267.10141	18.9
269.08090	3.3
270.08865	7.7
277.08545	5.7
285.11206	100.0
286.11563	4.5
294.08698	3.0
295.09579	10.6
299.09113	6.9
299.12466	3.5
309.11249	14.3
313.10583	5.4
327.12247	78.7
328.12427	3.5
345.02267	2.6
345.06088	4.3
345.13324	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05508	5.4
57.03426	2.2
60.85573	0.9
65.03934	4.5
67.05490	3.7
68.02636	1.1
69.07070	5.6
79.05473	2.1
81.07053	7.4
83.04978	1.6
83.08607	3.0
85.02913	1.5
91.05473	2.4
93.03402	1.5
93.07021	2.2
94.84990	0.9
95.08591	5.6
96.02100	3.7
97.06552	1.2
97.10140	1.8
105.07024	2.3
107.01331	1.3
107.08589	1.1
109.10144	2.6
111.04429	18.1
111.11684	1.2
115.05420	1.6
121.06618	1.0
121.10142	2.0
123.04430	1.8
123.11692	1.2
129.07018	1.6
130.23276	1.0
131.04929	1.9
133.10095	1.7
135.11650	1.1
137.05966	4.1
139.03885	10.1
143.08414	0.9
145.06483	2.6
147.04407	1.3
147.08098	1.6
147.11676	1.0
152.06261	1.9
153.01834	1.7
153.05580	1.0
153.06989	3.3
155.04922	1.7
155.08530	1.5
157.06517	2.7
159.08037	5.0
160.08801	2.9
161.05962	4.5
161.09608	2.5
162.06711	1.1
163.03882	2.4
165.07011	3.3
167.03423	4.8
167.07097	1.1
167.08543	2.0
168.05681	3.8
169.06432	2.5
171.07945	1.1
175.07582	1.2
178.02617	1.2
178.06213	4.3
178.07785	3.1
179.08498	4.4
181.06485	5.8
182.07199	2.2
183.08047	2.6
184.08752	0.8
185.06044	4.9
185.09616	1.5
186.65764	0.8
187.07518	3.4
188.08363	6.1
189.09093	2.0
191.08574	1.1
195.08047	4.9
196.05223	2.5
196.08813	2.5
197.05966	3.5
197.09666	1.7
198.06740	12.8
199.07555	2.6
200.08374	1.2
206.07297	1.7
206.09398	1.3
207.08044	3.7
208.08888	1.9
209.05925	3.0
210.06725	3.6
211.07545	8.0
211.11148	3.0
212.08362	0.9
213.05545	4.7
213.09117	3.2
215.06979	1.0
216.04131	4.6
217.04939	2.6
217.19550	1.1
221.09599	3.8
223.07536	6.2
224.04607	1.5
224.08208	4.1
225.05455	2.7
225.09113	2.4
226.06180	5.4
227.03375	1.2
227.06950	3.8
227.10628	1.1
228.04204	1.8
228.07796	2.5
229.08635	0.9
231.06609	2.5
234.06752	1.4
235.07492	3.2
236.08340	1.5
237.05403	1.6
237.09082	1.6
238.06250	1.6
238.09869	7.7
239.07027	14.4
239.10634	8.0
240.07700	6.6
241.04907	5.1
241.08594	7.1
243.06512	10.0
244.03712	3.7
249.09013	2.1
251.06863	2.2
252.04100	1.2
252.07806	3.7
253.04845	2.0
253.08578	7.2
253.12292	2.6
254.05797	1.4
255.02858	17.3
255.06482	3.0
256.03326	2.1
256.07254	12.2
256.11053	2.0
257.07907	2.1
259.06018	5.1
265.08734	1.6
266.09167	1.1
267.06561	2.7
267.10132	20.8
268.07330	15.4
268.10620	3.0
269.04471	5.9
269.08054	17.5
271.06033	1.9
271.09668	4.0
271.13226	4.3
272.03140	1.7
277.08707	1.2
281.07950	3.2
281.11731	3.1
283.02435	2.0
283.06003	1.5
283.09357	1.1
284.03403	1.7
284.06760	4.3
284.10391	5.5
285.07632	1.0
285.11084	2.2
286.08435	4.3
287.05472	12.7
295.09634	6.7
296.10403	7.3
297.03949	3.3
299.05811	2.7
299.09119	62.8
299.12753	13.5
300.02585	6.0
300.09445	2.7
309.11047	1.6
312.09946	2.1
313.07263	1.7
313.10641	14.6
315.04962	71.2
316.05310	5.0
317.13760	2.0
325.60538	0.9
327.12259	52.7
327.25293	3.7
328.12338	2.5
330.07285	18.6
345.09637	100.0
345.13391	24.6
345.26184	2.6
346.09998	6.6
346.13602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01858	1.1
55.05510	5.5
56.96542	1.2
57.03423	3.5
57.07064	1.3
65.03941	5.8
67.05496	5.9
69.07054	9.0
71.09786	2.1
79.01852	1.6
79.05496	2.0
81.07040	8.2
83.08614	4.2
85.02890	1.5
85.06520	1.1
86.01810	0.9
86.93575	1.0
87.70808	1.0
89.98013	0.9
91.05467	4.2
93.03415	2.7
93.07029	2.5
95.04951	1.1
95.08602	6.7
96.02081	5.3
97.06489	1.1
97.10155	3.8
105.07021	2.3
107.01367	2.0
107.08571	2.1
109.10170	4.6
111.04432	29.9
115.05448	2.9
117.07002	1.4
119.08575	1.4
121.10146	2.9
123.04417	2.7
123.11632	1.4
125.09658	1.4
126.30143	0.9
128.06163	0.9
129.06995	3.4
131.04912	2.0
133.10162	1.4
135.11658	2.3
137.05956	3.3
139.03882	16.6
141.06949	2.8
141.74275	0.9
144.05688	1.8
145.06456	4.3
147.04436	1.2
147.08070	1.4
149.13326	1.5
151.03850	1.4
152.06236	2.1
153.05431	2.8
153.06960	4.9
155.04866	1.9
155.08530	3.1
157.06378	4.6
159.08083	5.9
160.08827	6.8
161.05975	4.1
161.09615	3.2
161.13193	1.3
162.06682	1.4
165.05739	1.0
165.06943	4.8
167.03418	7.1
167.08549	2.5
168.05701	5.2
169.06487	4.8
171.08018	1.6
173.05965	2.6
175.07547	2.2
175.14633	1.2
178.07750	3.6
179.03406	1.3
179.08543	7.1
181.06450	7.7
182.07275	3.7
183.04382	1.5
183.08034	3.7
185.05986	5.8
185.09572	2.9
187.07559	5.0
188.08322	7.6
189.09042	3.0
190.07707	1.2
191.08481	1.3
193.06578	1.5
195.08026	7.4
196.05153	4.7
196.08849	3.8
197.05939	6.3
197.09627	3.0
198.06735	20.2
199.07455	4.7
199.11327	1.0
200.08275	3.1
205.06418	1.0
206.07233	2.7
206.09270	1.4
207.08054	7.7
208.08737	2.9
209.05928	4.3
209.09706	1.0
210.06783	4.3
210.10564	1.3
211.07532	12.7
211.11220	3.3
212.08354	1.6
213.05432	9.8
213.09116	4.1
214.06190	1.3
215.07018	2.2
217.08324	1.3
217.19492	2.0
221.09604	2.6
222.10281	1.6
223.07491	6.0
224.04642	2.6
224.08270	6.3
225.05405	2.9
225.09081	4.0
226.06123	6.4
227.07111	6.7
227.10716	2.5
228.07748	4.4
234.06715	2.5
235.07486	5.0
235.20567	1.6
236.08186	3.3
237.05444	1.9
237.09161	3.5
238.06238	3.5
238.09877	10.7
239.07018	21.5
239.10634	16.2
240.07770	10.6
241.05008	5.3
241.08574	13.0
242.05554	1.2
243.06493	14.3
249.09123	3.6
250.09848	1.7
251.06911	3.4
252.04266	1.8
252.07761	5.2
253.04973	2.2
253.08595	12.5
253.12238	3.7
254.05704	2.4
254.09218	0.9
255.06485	4.0
256.07303	17.2
256.10889	2.0
257.08005	1.2
258.08786	2.1
263.07053	1.3
265.08603	1.8
266.09427	2.2
267.06628	4.2
267.10153	32.9
268.07303	24.5
268.10608	3.2
269.08047	31.2
269.10318	0.7
270.08649	2.3
271.06125	1.9
271.09641	7.1
271.13220	6.8
281.08099	4.7
281.11703	3.2
283.09744	1.8
284.06799	4.9
284.10400	10.4
285.11221	2.5
286.08334	6.8
295.09631	9.7
296.10391	12.5
299.09201	100.0
299.12738	19.4
300.09439	5.2
309.11215	1.9
312.09915	2.2
313.10684	17.9
317.13739	2.7
327.12238	77.5
327.25168	2.6
328.12601	4.4
345.13303	42.6
345.26538	3.6
346.13608	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	345.133
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
50.51347	1.9
69.07081	2.8
71.26000	5.1
75.55925	2.0
79.05461	2.1
91.05472	4.5
98.35982	1.8
99.45035	1.9
103.05453	2.2
105.07021	4.3
107.04963	4.2
115.05446	2.8
121.06474	5.4
122.03623	2.2
125.53431	2.1
129.33826	1.9
131.04985	2.5
137.05959	34.7
143.04979	2.4
149.05972	7.0
151.03908	3.8
151.07590	2.6
153.05472	5.2
161.05980	26.4
163.07567	2.7
165.06978	15.3
175.07535	5.8
179.07071	3.3
179.08516	4.7
182.07310	8.2
188.04716	5.3
191.06999	5.2
192.02332	1.8
193.06508	13.7
194.07187	3.7
196.08818	2.6
197.06082	2.5
203.07036	16.3
205.08540	2.4
207.07973	4.2
209.06030	2.5
210.06757	16.5
211.07497	4.1
221.05931	20.8
223.07498	2.9
224.08266	5.1
225.05428	2.8
225.09067	27.6
227.07155	4.4
234.06763	3.6
235.07535	5.9
238.06247	13.1
239.06990	5.1
239.10686	3.0
249.09184	2.3
251.06810	2.6
252.07852	6.2
253.08582	52.4
254.08984	3.8
255.06499	4.5
267.10107	17.3
270.08792	3.6
277.08603	5.6
285.11206	100.0
286.11649	4.7
295.09613	8.1
299.12933	2.6
309.11398	12.9
327.12262	82.3
328.12827	2.3
345.06107	3.5
345.09698	2.6
345.13373	6.3
367.67462	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00089	0.3
53.03930	1.4
55.01862	1.1
55.05503	0.7
56.19192	0.3
57.43636	0.3
57.57960	0.3
64.69731	0.3
65.03921	0.3
67.01844	0.4
67.05499	2.2
68.15786	0.3
68.99780	5.1
69.37400	3.7
71.04977	0.6
71.15427	0.3
81.03400	2.3
92.68412	0.3
95.04959	0.8
95.63490	0.3
99.04456	0.5
100.77274	0.3
103.05466	2.5
105.07024	3.4
112.98766	0.5
113.05949	0.4
121.02827	0.4
130.99773	0.4
131.04929	6.9
141.07022	0.3
153.01826	0.4
167.03331	2.8
185.04440	100.0
186.04807	2.2
229.04996	0.3
229.08592	1.0
253.08514	0.5
257.08008	0.3
271.09628	54.3
272.09979	3.3
303.04929	2.8
313.10663	1.7
345.06055	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	345.133
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
53.39457	0.9
55.01859	2.0
55.62236	0.8
55.86459	0.8
60.34093	0.9
63.99244	0.8
65.03928	1.2
69.03415	0.9
69.07045	3.6
71.62371	1.6
79.05474	0.9
80.59272	0.9
81.07034	2.9
83.04974	1.1
91.05455	3.8
94.28434	0.8
95.04945	1.3
105.07025	2.1
107.04935	2.8
107.08562	0.9
108.23016	0.8
109.06493	0.9
109.10168	0.9
110.25606	0.8
111.04412	1.7
111.11724	1.4
115.05430	2.7
119.04879	1.1
121.06506	4.2
122.03631	1.1
123.08114	0.9
125.05951	1.3
130.63942	0.7
131.04901	3.1
133.06477	1.5
134.03590	1.3
137.02396	1.0
137.05965	26.7
137.84970	0.8
142.01234	0.7
143.04881	3.4
146.03603	2.9
147.04330	1.0
149.05986	6.9
151.03868	2.0
151.07512	2.3
153.05420	5.1
153.06627	1.0
154.07713	1.2
161.05966	27.7
162.06396	0.9
163.07533	3.1
165.05658	1.6
165.06982	13.2
167.08476	2.6
175.07547	4.4
177.05464	1.5
177.06870	0.8
178.07727	1.1
179.06990	2.8
179.08508	3.9
181.06485	4.0
182.07277	6.5
183.07947	1.1
187.03874	0.9
188.04594	5.1
191.07042	3.0
193.06483	12.0
194.07150	2.0
195.08171	1.4
197.09557	3.7
199.07501	1.8
203.07025	16.4
205.08519	1.7
206.07173	1.3
207.07990	5.7
209.05853	1.5
210.06738	14.6
211.07419	3.4
221.06006	20.3
221.08090	2.3
222.06685	1.8
223.07481	2.5
224.08310	5.7
225.09053	26.9
227.07014	4.5
227.10410	0.9
234.06746	1.8
235.07446	3.1
237.05527	1.7
238.06244	13.3
239.06961	3.1
239.10602	3.7
241.08752	1.1
242.09277	2.3
249.09137	4.0
251.07083	1.5
252.07809	5.0
253.08569	44.7
254.09076	4.1
255.06415	4.0
262.06290	0.9
263.06830	0.9
266.09180	1.5
267.07446	1.3
267.10132	15.0
269.08133	1.6
270.08884	7.3
277.08646	6.5
280.07373	1.9
281.07944	1.4
285.11194	100.0
286.11588	4.4
294.08911	2.4
295.09628	9.0
296.10349	1.2
299.09616	1.0
299.12741	2.2
301.30054	0.9
309.11206	11.9
312.09952	1.0
313.10620	1.9
314.11090	1.3
316.49130	1.1
327.12256	70.3
328.12549	5.1
328.15997	1.4
329.06665	0.9
345.02280	1.8
345.06171	1.8
345.13651	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	345.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76298	17.8
56.96559	27.8
69.61348	55.6
69.61773	100.0
70.06575	31.8
81.46383	20.3
83.92165	19.4
85.02878	40.6
97.02891	21.2
145.03459	36.6
153.01790	33.8
161.01207	29.8
165.84984	20.2
169.03412	29.7
184.05804	81.6
189.00726	25.5
240.10251	22.3
328.11749	25.3
344.99789	29.9
345.05688	29.7
345.09537	67.6
346.11145	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50974	0.4
53.03939	0.8
55.01866	1.2
55.05496	0.7
65.03912	0.5
67.05484	1.4
68.99780	4.7
69.03441	0.5
71.04966	0.8
81.03414	1.7
81.17743	0.4
84.91161	0.4
85.74876	0.4
93.25542	0.4
95.04961	0.7
103.05438	2.2
105.07043	2.7
112.98692	0.7
114.70741	0.4
125.77300	0.4
130.92682	0.4
130.99719	0.8
131.04913	6.9
139.66675	0.4
149.02267	0.5
167.03380	2.5
167.88931	0.5
180.61191	0.4
185.04440	100.0
186.04791	2.3
192.02847	0.4
229.08574	1.5
239.77072	0.5
252.58838	0.4
257.08215	0.6
271.09631	55.2
272.09897	2.5
282.77563	0.5
284.14401	0.5
313.10458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12811	0.3
56.06567	0.4
56.90757	0.3
68.99792	0.4
70.06582	1.3
71.34921	0.8
72.08154	2.0
79.05473	0.5
81.07043	0.9
82.51393	0.4
86.09687	0.7
91.05455	0.7
99.69801	0.4
101.83707	0.3
103.05448	2.0
105.03344	0.4
105.06989	1.0
107.04977	0.8
115.05454	7.8
127.05459	0.7
131.04921	4.2
133.06500	0.8
137.05920	0.8
143.04890	4.6
145.02808	0.6
145.06435	0.7
147.04395	1.5
148.04771	0.9
153.01825	0.4
153.03300	1.0
154.67014	0.4
155.04935	1.9
157.02856	0.4
159.04413	4.2
161.05948	1.7
163.03760	0.8
165.05478	0.4
169.02757	0.9
171.04387	13.4
172.04733	0.4
173.05936	0.4
177.01799	0.6
177.05414	2.4
181.02827	1.5
183.04378	1.0
187.03880	10.4
187.05457	0.7
189.05476	2.7
191.03439	0.6
197.02362	1.4
199.03880	15.3
200.04306	0.5
203.03424	0.9
205.04958	2.2
209.02377	2.0
211.03851	2.6
214.11789	0.4
215.03377	14.5
217.04968	3.6
223.07471	0.4
225.01776	1.3
227.03366	16.8
229.04912	1.0
231.02785	0.8
233.04405	2.3
237.01869	2.4
239.03427	1.6
243.02878	17.6
244.03461	0.7
245.04401	5.5
255.02872	16.0
256.03220	0.6
261.03964	4.6
265.01358	0.7
271.02332	20.9
272.02814	1.0
273.03906	13.5
281.00793	1.0
283.02332	11.0
284.03165	0.4
289.03372	7.1
291.04831	0.5
294.22650	0.4
297.00256	0.4
298.01111	0.6
299.01831	39.2
300.02319	2.1
301.03397	39.3
302.00455	1.0
302.03754	1.4
316.02148	1.2
316.99490	0.6
317.02905	8.9
327.01328	13.4
327.05225	0.8
328.01633	0.5
345.02368	100.0
346.02689	3.9
353.42282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50008	0.4
68.99821	0.4
69.36581	4.8
70.06564	0.8
72.08139	1.7
79.05483	0.6
81.07047	1.1
84.08127	0.5
86.09676	1.0
103.05466	1.2
105.82720	0.4
113.76508	0.4
115.05437	7.4
117.06977	0.5
118.01238	0.5
119.04948	0.7
127.05381	0.6
131.04915	4.1
133.06499	0.7
137.05917	0.5
139.03908	0.4
143.04916	4.7
145.06465	0.7
147.04396	1.2
148.04790	0.5
149.06009	0.8
153.03369	1.1
155.04951	2.0
159.04404	5.1
161.05930	1.9
163.03932	0.5
166.05771	0.6
169.02892	0.5
171.04402	14.2
175.03844	0.7
177.01869	0.9
177.05472	2.2
181.02850	1.3
183.04472	0.6
187.03888	10.6
189.05405	2.1
196.68617	0.4
197.02313	0.7
199.03893	16.8
200.04344	0.4
203.03407	1.0
205.04947	2.6
209.02303	2.9
211.03854	2.8
213.01842	0.5
215.03375	16.1
216.03905	0.5
217.04918	3.3
225.01875	1.6
227.03375	15.1
229.04990	1.2
233.04398	2.0
237.01811	2.1
239.03355	1.9
243.02882	18.6
244.03636	0.7
245.04420	5.1
253.01283	0.8
255.02864	18.2
256.03375	0.6
260.02936	0.6
261.03949	3.5
265.01294	0.6
271.02350	21.4
272.02881	0.7
273.03900	13.2
281.00848	0.8
282.99222	0.8
283.02353	11.3
284.03021	0.9
287.01904	0.5
289.03430	8.1
292.57031	0.5
296.56119	0.4
298.01276	0.5
299.01852	44.1
300.02161	1.4
301.03397	40.1
302.00525	0.8
302.03769	1.3
305.56421	0.5
316.02148	1.4
317.02896	9.3
327.01343	14.5
328.01938	0.6
345.02374	100.0
346.02802	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	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
57.03416	1.1
61.02917	1.7
62.80784	0.5
69.03422	3.5
70.21143	1.7
74.61606	0.5
81.03407	1.0
85.02895	14.8
91.03941	0.9
91.05468	4.6
97.02888	3.5
99.04424	0.7
106.03688	0.5
109.02849	1.0
119.04929	16.5
123.04403	1.9
125.39999	0.5
127.03905	2.9
136.04736	0.5
145.04926	3.1
147.04391	100.0
148.04742	2.7
163.06065	0.6
165.05461	48.2
166.05809	2.1
180.08656	1.7
190.97932	0.5
195.77147	0.5
256.24088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50610	1.2
53.41822	1.0
55.01861	1.1
60.69284	1.0
61.02911	2.2
69.03429	2.9
71.71870	1.0
71.72269	1.4
81.03415	2.2
81.07031	1.1
85.02905	14.4
87.04418	1.1
89.24894	1.0
91.03991	1.1
92.57559	1.0
95.04960	1.3
97.02873	5.0
107.04949	100.0
109.02868	1.4
127.03908	3.3
139.03949	5.5
145.04971	2.6
147.04352	5.5
159.04431	1.8
163.03889	2.6
163.11182	1.6
164.11610	1.6
165.05412	1.9
165.09119	15.1
170.99698	1.2
180.08688	2.3
224.94708	1.4
302.06390	1.7
303.04825	1.2
308.89468	1.1
344.07593	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	343.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01862	8.2
55.05505	63.9
55.99711	1.3
57.03430	21.7
57.07065	3.9
59.04988	1.8
61.02860	1.8
62.01003	1.6
65.03904	2.1
67.05498	67.4
69.03425	3.1
69.07060	61.0
71.04984	7.0
74.70414	1.5
79.05483	49.9
80.74657	1.4
81.07047	96.2
83.04974	12.8
83.08609	45.9
85.06528	6.9
89.13800	1.5
90.48829	1.5
91.05460	13.0
93.07037	61.9
95.04934	3.7
95.08597	100.0
95.30022	1.4
97.06514	18.8
97.10149	16.1
99.08046	2.9
105.07038	10.1
107.08588	26.4
109.10143	46.3
111.08075	10.2
111.11731	4.8
112.34843	1.6
117.07035	3.1
119.08546	8.9
121.09292	2.3
121.10133	44.9
123.08053	2.8
123.11681	14.5
125.09617	7.3
131.08559	9.9
133.10110	16.8
135.11676	16.1
137.09587	4.9
137.13202	4.4
139.03870	2.3
139.11176	14.0
145.10095	9.3
147.04341	2.3
147.11650	6.5
149.09596	3.1
149.13223	10.0
151.11171	5.9
159.11667	7.0
163.11214	1.8
163.14955	2.4
167.14243	2.6
169.12231	3.7
173.11789	1.9
173.13268	3.6
175.14821	2.3
187.13280	6.6
187.14835	2.7
191.17899	2.9
195.13832	3.4
201.14828	2.4
203.12796	5.9
205.19484	2.1
215.16428	1.7
215.18001	17.4
233.18980	38.7
234.19316	2.0
251.20030	86.9
252.20355	4.3
269.21069	10.5
270.21463	1.6
314.63113	1.5
325.23770	15.5
343.24860	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	7.0
55.01861	7.3
55.05510	21.8
57.03428	10.4
57.07069	12.0
59.04996	5.2
67.05502	27.0
69.03426	12.5
69.07053	8.9
71.04990	19.5
73.99198	2.6
79.05490	29.1
79.05947	3.4
81.03429	3.4
81.07048	36.7
83.04974	6.9
85.06540	5.4
91.05466	42.0
93.07040	92.2
95.04340	2.4
95.04958	70.2
95.08595	99.5
97.06523	20.3
98.20740	6.3
103.05466	4.4
105.07024	100.0
107.04956	4.4
107.08582	53.5
109.06495	18.5
109.10158	5.8
110.06876	2.4
114.46313	2.1
115.05437	10.1
117.07008	44.2
119.08577	33.2
121.06529	18.8
121.10119	22.8
123.08077	32.6
125.05998	4.0
128.06233	5.9
129.07008	7.9
130.07794	19.7
131.08565	17.6
133.06499	8.2
133.10120	23.2
135.08051	33.4
135.11670	17.7
137.05943	4.8
137.09586	6.4
141.06998	2.9
142.07797	4.9
143.08542	14.4
145.06511	4.3
145.10112	93.1
147.08055	22.8
147.11673	6.5
149.09605	7.5
151.07523	57.7
153.09076	4.2
155.08553	4.7
156.09335	3.8
157.10153	11.9
159.08023	5.9
159.11716	9.6
161.09584	10.5
161.13196	4.7
163.11163	79.2
165.09109	22.0
167.08678	3.6
169.10045	2.9
171.11649	8.2
173.09645	5.5
173.13266	4.4
175.11122	5.7
177.09151	5.8
179.07068	6.0
181.10136	3.1
181.12189	3.0
183.11688	3.5
185.09644	3.0
185.13095	2.7
187.11147	6.3
189.12752	12.4
197.13300	4.5
201.12683	3.4
203.14249	13.8
207.13820	8.7
209.13347	2.8
209.15381	7.3
215.14436	4.4
221.15355	36.1
225.12463	2.6
229.40353	3.0
233.15500	2.4
240.23206	3.1
241.15839	3.0
243.13904	2.6
245.15891	2.5
263.16415	9.0
269.15375	5.4
286.19308	5.8
325.21594	9.9
343.12189	3.4
343.22650	95.7
343.26236	4.8
344.22916	5.4
361.13019	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	6.0
55.01856	7.0
55.05509	19.1
57.03436	11.2
57.07073	10.5
59.05010	9.3
59.63839	1.7
66.01902	1.7
67.05502	28.7
69.03429	12.3
69.07073	9.6
70.77026	5.5
71.04990	27.1
76.22003	1.7
79.05490	26.6
81.03400	4.7
81.07054	28.7
83.04974	7.9
85.06535	5.2
91.05470	39.6
93.07040	72.9
94.07352	1.8
94.90092	1.7
95.04964	66.7
95.08599	100.0
96.12594	1.5
97.06525	19.0
103.05465	4.8
103.50609	1.6
105.07024	93.3
105.23085	1.9
107.04967	4.4
107.08584	61.9
108.05747	1.7
109.06519	16.1
109.10133	5.8
115.05449	6.8
117.06199	2.0
117.07011	33.2
119.04913	2.4
119.08575	29.4
121.06502	19.2
121.10133	14.8
123.08062	25.0
123.11612	2.2
125.05965	3.0
128.06201	3.9
129.07011	6.6
130.07785	21.1
131.08563	12.0
133.06471	7.1
133.10121	15.2
135.08041	32.1
135.11690	16.1
137.05960	2.2
137.09685	9.5
141.06947	2.1
142.07765	3.1
143.08557	13.3
145.06462	2.9
145.10118	94.9
147.08038	16.8
147.11661	4.8
149.09592	7.0
151.07527	48.4
153.09076	5.4
155.08502	2.1
156.09218	1.9
157.10075	9.5
159.08044	5.1
159.11717	9.0
161.09590	11.5
161.13297	6.4
163.11180	73.9
165.07050	2.1
165.09117	23.3
168.09271	2.2
169.10081	3.9
171.11676	6.3
173.09633	6.1
173.13231	4.9
175.11186	6.7
177.09077	7.0
179.07024	7.9
179.08490	2.5
179.10661	2.2
181.10207	2.3
181.12190	3.1
182.10831	2.1
183.11708	2.0
185.09529	2.4
185.13234	3.5
187.11185	5.8
189.09196	1.8
189.12779	13.3
191.10706	3.9
191.14304	5.6
193.10176	2.1
195.11711	2.4
197.13246	4.9
199.11122	2.4
201.12767	1.8
203.14296	13.6
207.11974	2.2
207.13847	7.6
209.13220	4.0
209.15393	4.1
213.12753	2.0
215.14328	4.6
221.04503	2.3
221.15361	32.6
223.14836	2.0
225.12814	3.1
225.16376	2.9
227.14290	1.8
233.15288	2.7
240.23216	2.5
241.15904	2.2
243.13759	2.9
257.15268	1.9
263.16339	10.8
268.18292	2.5
269.15332	4.5
271.17242	2.1
286.19257	9.3
287.16479	2.5
325.21683	10.6
343.22662	89.1
344.22995	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	343.1175
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01870	3.3
55.05499	2.3
57.03429	4.1
58.99575	3.4
65.03934	5.1
67.05479	2.6
71.05001	3.3
71.47756	3.9
79.05482	5.3
79.87342	2.1
80.04985	2.6
81.07070	12.9
81.07464	2.5
91.05466	14.6
93.07049	3.6
94.04164	3.4
95.04966	4.1
95.08575	4.0
99.08096	3.5
103.03902	2.7
103.05459	8.4
107.04950	6.0
109.02911	2.0
109.10149	2.2
111.04436	4.9
112.51455	2.1
115.05460	14.3
116.01683	7.8
117.07003	3.6
119.04950	6.8
121.02816	2.0
121.06512	7.0
121.10116	2.1
122.03651	6.9
123.04421	3.1
125.05946	2.7
131.04950	5.6
133.06488	3.4
134.03572	2.4
135.04404	3.8
137.02353	1.9
137.05968	67.1
142.03214	12.9
143.04909	7.1
144.05705	2.8
145.06458	11.3
147.04411	4.6
149.05942	10.8
150.06749	4.0
151.03906	9.1
153.06961	2.3
158.03650	8.9
159.04420	6.7
160.05173	7.9
161.05978	5.9
162.02188	8.7
163.07513	3.7
165.06993	6.6
166.07779	3.5
167.08421	2.2
170.02704	5.0
173.05974	12.1
175.03896	6.3
175.07513	14.2
176.06232	6.7
177.05513	5.3
177.07025	18.2
178.07736	5.2
179.08521	4.9
181.06427	6.2
186.03061	12.5
187.03909	5.0
193.06502	3.9
194.07268	19.0
195.08060	7.7
201.05443	40.9
203.06981	3.1
204.05698	2.5
205.06468	49.0
206.07144	5.0
207.08055	8.6
209.09641	3.0
211.07455	2.6
213.09229	3.0
217.06538	4.7
219.06453	8.1
219.08252	4.5
221.05974	16.4
222.06761	37.0
223.07477	7.9
227.06927	3.9
232.05161	2.7
233.05954	42.7
234.06706	12.5
235.07492	3.3
236.08414	2.8
237.09108	40.6
239.07047	6.9
240.07707	3.3
247.07585	6.2
249.05449	14.4
250.06230	37.3
251.06989	13.2
253.08748	2.7
254.09387	2.5
261.05460	7.0
263.07233	2.8
264.07889	13.0
265.08591	77.5
266.09372	9.2
267.06592	9.3
267.10403	2.8
268.07254	5.7
272.88580	2.7
275.07013	2.3
277.05078	5.5
278.05768	18.5
279.06564	4.5
279.10205	6.5
282.08914	8.0
283.09662	19.0
292.07281	25.1
293.08060	65.1
294.08731	3.6
295.05945	4.2
297.11209	21.5
299.12781	2.6
301.10498	2.6
307.06064	3.9
307.09625	76.7
308.10077	4.4
310.08392	9.3
311.09058	6.5
313.80322	2.5
325.10675	100.0
343.11816	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	343.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24092	3.6
52.89203	3.6
53.03936	8.6
55.01856	7.2
55.05496	11.1
57.03424	7.9
58.02948	4.9
67.05488	16.4
69.07046	10.2
69.83978	23.0
69.84403	8.2
71.04977	7.8
74.10509	4.1
76.37099	4.0
79.05467	19.0
81.07047	41.1
85.02894	6.5
85.06496	5.5
86.99033	4.2
91.05493	32.1
93.07022	14.3
95.04951	8.7
95.08591	16.8
97.06536	6.0
99.08112	6.0
100.11235	14.7
100.87441	3.8
101.11580	4.8
103.03954	3.7
103.05437	10.7
105.07006	11.2
107.04945	13.5
107.08572	4.5
109.06522	4.7
109.10117	10.5
111.04418	7.5
111.91712	4.1
114.09172	6.5
115.05457	23.8
116.01638	5.0
117.06975	7.0
119.04909	13.0
119.08604	5.3
121.06483	12.2
121.10120	7.7
122.03694	5.3
123.04453	8.8
123.11736	5.4
125.05977	6.1
128.06161	4.4
129.06981	10.2
130.04951	5.2
131.04950	10.8
131.08578	9.1
133.02832	6.1
133.10124	8.0
135.04398	6.7
135.11681	8.0
137.05969	87.9
139.03891	11.7
141.06979	4.4
142.03230	6.8
143.04958	10.2
144.05620	4.0
145.06453	14.8
145.10155	5.9
147.04378	12.0
147.08084	5.9
149.05949	14.5
149.13286	5.7
150.06703	4.8
151.03842	11.9
151.07573	9.7
153.05472	7.9
153.07005	6.7
157.06560	5.8
158.03625	7.2
159.04413	5.7
160.05255	6.4
161.06000	12.3
162.02260	7.5
163.03905	10.4
163.07521	6.5
163.11169	11.8
165.06995	9.3
167.07022	17.0
170.02725	5.1
173.06029	13.6
174.06801	11.3
175.03961	6.2
175.07536	19.7
177.05525	6.8
177.06973	20.8
181.06561	6.8
181.08597	24.6
186.03159	11.8
189.06999	7.3
189.09071	25.9
191.06950	5.7
193.06546	5.4
194.07297	28.4
195.07976	4.2
201.05423	46.8
203.07036	4.6
205.06505	49.4
206.07217	5.3
207.08028	9.7
219.06491	14.0
219.08241	8.1
221.05949	25.1
222.06772	36.0
223.07510	4.4
228.12175	7.5
233.06004	38.0
234.06729	12.4
235.07317	5.9
237.09067	36.5
239.07010	8.6
240.07784	8.2
247.07529	10.9
249.05388	20.5
249.09178	5.0
250.06242	49.6
251.06926	16.1
251.20088	10.5
253.08569	13.1
254.09174	6.3
261.05319	7.9
264.07840	19.9
265.08597	79.1
266.09341	10.0
267.06525	13.6
267.10202	4.7
269.04529	5.0
278.05676	22.2
279.06311	12.1
279.09991	10.2
281.08051	9.9
282.08911	10.7
283.09653	28.4
283.12479	5.6
292.07333	22.4
293.08060	76.4
294.08832	5.7
297.11133	28.2
307.09634	82.2
308.09750	4.4
310.08301	13.2
311.09088	11.3
325.06784	4.7
325.10693	100.0
325.14279	5.7
326.10849	7.9
343.04443	14.9
343.11667	22.7
343.15335	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85573	0.8
71.71700	1.5
73.04712	1.0
90.67293	0.8
91.05780	1.9
97.54472	0.9
110.07159	2.3
112.27636	0.9
117.09150	1.2
139.03871	1.4
145.99892	0.8
180.06302	100.0
181.06688	0.9
196.31323	0.9
211.23743	0.9
247.09935	0.9
273.31436	0.9
342.11624	26.3
363.36581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58898	1.4
56.96552	5.2
57.16690	1.0
61.27554	1.1
71.25078	1.3
71.53767	1.8
74.71142	1.1
86.62437	1.1
98.97566	23.9
116.98611	24.9
119.01939	3.1
132.96555	1.6
133.25055	1.0
134.99644	16.3
137.02954	1.7
153.00690	2.9
174.97643	4.7
176.97430	2.8
176.99498	1.0
177.00932	8.3
181.41910	1.3
183.06296	2.3
192.98660	6.7
194.98453	2.1
198.97595	1.5
201.07234	2.9
216.98686	9.7
217.98790	1.7
218.03572	3.9
218.98558	8.2
219.01947	17.9
219.03841	1.4
220.02121	3.7
221.01756	4.6
234.96475	5.2
234.99828	27.6
236.00003	4.7
236.99509	14.5
240.00244	1.1
240.62776	1.1
240.98956	2.6
244.98059	1.7
252.97568	7.3
253.01089	2.9
258.01257	2.0
258.96603	4.0
258.99918	31.5
260.00131	3.8
260.04648	2.3
260.99670	5.4
261.03091	15.5
262.00162	1.3
262.03052	1.5
263.02716	1.6
264.98947	3.1
265.94891	1.5
270.99863	1.3
273.98511	1.4
274.97516	1.6
275.98123	1.6
276.02344	1.8
276.97589	18.2
277.01035	30.0
277.98050	1.1
278.01138	4.8
279.00720	5.6
280.00909	1.5
282.99960	59.8
283.06281	5.0
284.00082	6.7
284.99973	4.0
285.99899	2.7
291.99854	1.4
294.98550	3.2
297.06726	1.4
299.98001	1.7
300.02454	1.4
300.97552	25.3
301.01053	100.0
301.97934	1.6
302.01053	14.2
303.01010	5.9
304.01022	3.3
307.23941	1.4
317.99261	1.5
318.98605	44.8
319.02130	5.5
319.98590	2.2
324.02652	3.9
325.00934	12.1
325.07202	1.3
326.01315	1.2
336.99844	1.3
342.00204	6.0
342.98608	6.3
343.02109	61.0
343.08624	2.5
344.02145	6.2
360.99628	19.5
361.03247	11.2
362.03467	2.5
364.69440	1.4
366.03799	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3198
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
55.05501	15.3
57.07066	16.0
65.03938	2.9
67.05210	1.9
67.05505	21.8
68.88317	2.0
69.07065	44.2
71.08618	8.2
71.46367	2.3
71.72582	3.2
79.05486	14.7
81.07051	79.5
82.07399	2.3
83.08625	18.3
85.10149	3.3
91.05471	8.6
93.07031	31.8
95.08597	83.3
97.10140	7.7
103.05472	3.5
105.07020	26.4
107.08589	40.4
109.09417	3.6
109.10153	63.7
111.11714	3.2
119.08577	28.2
121.10135	39.2
123.08138	2.5
123.11701	39.6
131.08525	5.9
133.10136	26.0
134.80913	2.3
135.11684	29.7
137.13234	24.3
145.10126	10.2
147.11688	25.0
149.13263	22.2
151.14801	3.4
159.11639	11.2
161.13261	17.3
163.14812	19.9
173.13293	7.6
175.14825	13.6
177.16368	9.7
187.14806	6.0
189.16385	13.0
191.17928	14.2
195.06470	3.3
201.16328	4.9
203.17964	25.2
205.19585	3.3
215.17891	8.4
217.19475	12.2
229.19508	6.2
231.21086	8.4
243.21017	4.7
245.22696	4.8
257.22684	9.0
259.24207	3.8
271.24283	3.9
285.25751	7.6
291.10474	2.4
341.13593	2.8
341.17630	5.5
341.26889	7.6
341.31982	100.0
342.32562	4.4
342.37326	7.6
344.04352	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1746
Annotation	3,5-Dihydroxy-2-methoxycarbonyl-6-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
55.01849	2.0
55.05489	5.9
57.03432	2.2
64.55640	2.0
67.05498	10.6
69.03421	3.6
69.07053	3.9
71.70739	2.8
73.02908	2.0
75.04467	3.8
79.05481	4.9
81.07034	9.7
83.08608	1.9
85.40810	1.4
87.74875	1.5
91.05466	5.9
93.07036	4.3
93.54285	1.6
95.04980	3.4
95.08598	6.6
97.02851	1.7
103.05444	5.5
105.07011	6.1
107.04948	9.0
107.08559	3.2
109.06396	2.5
109.10120	2.2
111.04424	2.9
115.05429	2.3
119.08552	3.1
121.10064	2.8
123.04398	2.5
128.06212	2.8
129.06999	2.9
131.04919	8.9
131.08530	2.1
133.06487	2.7
133.10107	3.1
135.04456	1.8
137.05954	20.0
139.03838	2.0
141.06956	3.2
145.06487	2.6
147.07945	2.1
147.52477	1.6
149.05956	2.6
150.58203	1.9
152.06157	2.1
153.06985	2.6
154.07788	1.9
155.08481	2.2
156.05710	3.4
157.06502	3.3
159.08055	2.0
161.05966	4.3
163.07524	6.5
163.08823	1.6
165.06989	6.5
167.07030	4.1
167.08430	1.6
168.05670	3.8
169.06435	5.2
170.07326	3.0
171.08044	4.3
171.97801	1.7
175.07507	3.7
178.07661	2.7
179.07191	1.8
179.08566	5.3
181.06491	7.3
182.07285	7.5
183.08012	5.8
184.05173	4.8
185.06004	1.9
185.09637	2.0
187.07533	9.8
187.11200	1.8
189.09125	2.3
190.07784	1.9
191.06944	1.9
191.08481	3.0
193.06454	3.9
194.07144	3.0
195.08028	6.7
196.05190	7.7
196.08813	1.8
197.05957	5.7
197.09572	2.9
198.06786	3.1
199.07501	11.8
203.08559	4.0
206.07224	1.8
207.06334	2.1
207.08066	8.5
209.05988	3.2
209.09506	2.8
210.06778	10.2
211.07503	22.8
212.04657	4.4
213.05423	4.0
213.09122	3.5
217.08643	4.7
219.08070	4.1
220.08878	3.8
221.05962	4.9
221.09564	6.8
222.06725	1.9
223.07455	5.6
224.04645	2.9
224.08203	1.9
225.05542	3.1
225.09280	13.3
226.06137	3.2
227.06981	17.3
227.10345	1.9
228.07855	2.6
229.04962	2.1
229.08598	2.0
231.08052	3.4
233.09425	1.6
234.06662	3.8
234.10410	2.3
235.07520	10.3
235.11189	2.7
236.08295	3.5
237.09039	4.8
238.06174	4.8
238.09784	2.7
239.07007	25.4
239.10710	3.6
240.07732	6.8
241.04945	2.9
241.08553	13.9
242.05714	2.3
248.08272	3.7
249.09090	7.0
249.12671	8.7
251.07028	3.1
251.10706	2.2
252.07777	4.1
253.08591	36.2
253.11610	2.1
253.12152	1.8
254.09106	2.9
255.10219	4.4
256.07358	4.1
257.08069	9.8
259.09512	14.0
261.09067	2.4
263.10739	3.3
265.08508	5.6
266.09296	6.0
267.10126	17.3
267.13467	3.4
268.10583	3.1
270.08850	2.0
271.09656	47.6
276.07782	2.0
277.08957	2.5
277.12210	20.5
278.12949	2.7
279.10138	3.0
280.10959	5.8
281.08643	1.7
281.11703	6.9
281.15314	10.1
283.09763	3.1
285.11234	25.2
291.10236	3.7
291.13712	4.7
294.12500	2.2
295.09479	2.1
299.12802	4.9
309.11276	4.5
309.14783	47.8
310.15274	3.5
311.12625	1.9
323.12585	4.7
323.16626	1.7
326.15054	4.5
341.13708	12.5
341.17419	100.0
342.17691	5.4
356.81750	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	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03926	1.1
55.05497	1.7
58.28229	0.6
59.71938	0.7
63.85988	0.8
65.03947	1.8
67.05490	1.4
69.07075	1.7
69.45320	7.1
71.04993	6.0
78.50320	0.9
79.05492	3.1
81.07052	2.2
83.08601	0.9
91.05452	5.1
93.07051	2.4
94.04176	3.5
95.04960	1.3
95.08607	1.0
100.11247	3.1
103.05466	1.4
105.78179	0.9
107.04964	2.3
107.08615	0.9
109.06523	2.5
109.10184	1.0
110.03653	0.9
111.04472	2.0
114.42030	0.7
115.05461	2.3
119.04934	1.1
119.08582	1.5
121.10178	1.4
122.03638	8.7
128.06227	1.9
129.06979	7.3
131.04881	4.3
131.08588	1.5
133.02837	5.8
137.05966	100.0
138.06277	2.2
138.13132	0.8
141.06947	1.5
143.04927	2.4
143.08611	1.5
144.05714	4.4
145.06464	2.6
147.04454	1.4
149.05962	5.0
151.03900	3.0
151.07564	7.6
153.05438	1.5
156.05725	0.8
157.06471	5.2
160.05241	5.3
161.05908	1.7
163.07552	2.9
164.04791	1.0
165.05540	5.0
168.05728	1.8
172.05197	4.7
174.06749	8.2
175.07536	18.8
176.08243	0.9
177.05492	8.6
177.09033	4.4
179.07103	4.6
179.08443	1.3
182.15411	2.8
184.05042	0.9
185.06009	1.4
187.07533	31.2
188.08238	0.9
189.09100	11.2
190.07759	1.6
191.06996	1.2
191.08572	3.1
196.05225	6.1
197.05986	3.3
199.07527	3.7
200.08142	1.0
202.07777	3.5
203.08559	13.8
205.06522	3.1
205.08656	2.4
206.07332	1.0
207.07962	1.6
208.08682	0.9
210.14984	3.0
211.07529	22.8
212.04691	2.3
212.08038	1.4
213.03625	0.8
213.05383	4.6
217.08580	14.0
218.07326	1.8
219.08051	9.6
220.08826	7.7
221.06036	0.9
221.09578	3.1
222.06668	1.3
225.05472	2.4
225.09084	1.9
226.06198	1.1
227.07016	20.2
228.07776	3.4
230.07292	0.8
231.08025	15.4
232.08804	4.6
233.05919	4.2
233.09587	1.2
234.06744	1.4
235.07646	2.3
236.08266	2.9
237.09171	3.0
238.09920	0.8
239.06999	14.4
240.07803	17.0
241.04939	2.6
241.08601	1.8
243.10258	0.9
246.06607	0.9
247.07501	7.9
248.08308	26.5
249.09068	2.7
249.18466	1.8
250.06316	2.1
251.07042	1.5
251.10591	3.7
253.08578	2.6
253.12265	1.3
254.09358	1.8
255.06537	12.9
256.07260	10.1
259.07529	4.8
260.08255	2.4
261.05411	1.0
261.09122	3.3
262.06348	1.6
262.09818	1.6
263.07474	1.7
263.10645	21.2
264.07733	2.2
265.08609	5.3
268.07343	5.3
269.08023	1.7
270.05914	1.0
270.08862	30.7
271.09641	46.3
272.10052	1.4
276.07779	12.4
277.08524	5.8
279.07172	1.1
279.10162	10.0
280.07367	1.6
280.10794	1.8
281.08096	2.5
281.11807	2.4
282.08771	1.8
283.09628	11.8
285.11310	1.3
290.09164	1.2
291.10132	60.5
292.10800	4.5
293.08081	6.0
293.11472	1.6
294.08536	1.0
295.09750	1.8
295.13437	0.9
296.10562	5.3
297.11142	2.9
307.09491	1.0
308.10458	6.1
309.11218	2.2
311.12753	9.9
313.14313	2.4
323.12738	38.2
324.13004	1.1
326.27869	1.0
341.13751	21.5
341.20251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.86740	1.6
55.01871	2.3
55.05490	2.9
57.03409	1.9
67.05489	3.3
69.03404	2.3
71.71210	2.6
79.05475	5.8
81.07024	4.3
81.94526	1.6
84.67701	2.1
86.09675	2.4
91.03928	1.7
91.05415	4.5
91.05904	2.0
93.07038	2.2
94.04152	2.9
95.04947	3.8
95.08579	4.4
97.02866	3.7
103.05473	5.6
105.07030	6.1
107.04942	13.0
107.78854	1.7
109.06505	3.3
109.10151	2.3
115.05467	2.0
117.06982	1.7
119.04931	2.0
121.10075	2.4
122.03641	5.1
123.04352	1.9
128.06181	4.7
129.07002	9.9
131.04944	10.2
131.08563	4.0
133.06467	3.2
135.04407	4.2
137.05965	100.0
144.05663	3.9
145.06508	3.3
147.04393	5.4
147.08012	2.2
149.05991	2.9
151.03886	2.1
151.07538	7.8
153.05435	7.2
157.06465	6.6
159.08031	3.3
161.05943	9.0
163.07481	9.6
165.05450	2.2
165.07028	2.8
167.07034	5.9
172.05197	6.2
174.06761	9.0
175.07549	14.1
177.05527	2.5
178.07738	2.7
179.07030	3.3
185.05968	3.4
187.03923	5.3
187.07520	35.9
188.08206	3.0
189.07347	2.9
189.09125	12.7
190.07726	2.4
191.08528	6.8
193.06541	2.6
196.05180	2.1
199.07570	3.4
202.07748	3.8
203.08556	12.9
205.06482	3.6
205.08357	2.2
207.08038	3.2
210.06642	2.7
210.11208	3.1
211.07515	5.9
217.08530	17.8
218.07359	2.5
219.07985	12.4
220.08798	5.4
221.05901	4.0
221.09622	2.8
223.07622	2.6
225.09113	3.0
227.07022	4.8
231.08075	12.3
232.08675	3.4
233.06026	1.8
233.09695	1.8
234.06705	2.5
235.07532	6.1
236.08260	2.4
237.05508	1.8
237.09032	2.6
239.07014	6.0
240.07825	3.4
247.07542	7.5
248.08237	15.2
249.05479	5.9
249.09007	4.2
251.06847	2.4
251.10684	6.4
253.08464	3.4
255.06277	8.8
259.07535	5.7
260.08258	4.0
261.09195	3.9
263.07187	4.4
263.10654	15.2
264.07614	2.6
265.08554	5.9
266.05771	2.6
268.06931	2.3
270.08868	11.3
271.09650	8.0
276.07669	8.9
277.08636	4.4
279.10059	14.5
281.08142	5.5
281.11600	4.2
283.09750	5.4
291.10144	32.5
292.10867	3.2
293.08041	6.0
295.09866	3.9
296.10532	6.7
297.11157	3.8
299.05676	2.3
308.10425	5.5
309.07742	3.4
309.11127	10.7
311.12732	14.6
313.14337	3.0
323.09109	5.5
323.12662	33.1
341.10114	10.3
341.13815	26.9
359.02783	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	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23122	1.4
55.05509	3.3
57.03422	2.4
58.72756	1.4
65.03921	1.7
67.05501	4.9
69.03397	2.7
69.07055	2.0
71.04989	6.2
71.08617	1.8
71.70470	2.9
79.05489	4.6
81.03411	1.4
81.07052	8.2
91.05471	4.8
93.07056	3.7
94.04188	4.1
95.04979	3.9
95.08600	4.4
103.05468	2.6
105.07021	3.6
107.04897	3.1
107.08583	2.6
108.47944	1.6
109.06509	2.3
109.10144	2.1
111.04418	2.8
115.05463	2.8
119.08621	1.8
121.06505	1.3
121.10126	2.7
122.03632	8.4
123.11677	2.3
125.09642	1.4
128.06245	3.2
129.07024	8.9
131.04948	5.1
131.08583	2.5
132.05818	1.4
133.02863	6.2
133.10141	1.9
135.04445	2.7
137.05971	100.0
138.06398	2.5
143.04941	1.7
144.05685	4.4
145.06508	3.2
145.10129	2.0
147.04486	1.4
149.05968	5.5
151.03886	4.8
151.07562	9.1
157.06512	5.0
160.05220	6.2
161.06001	5.0
161.09648	2.0
162.58614	1.6
163.07535	4.1
165.05489	6.1
165.06841	2.1
171.08112	2.0
172.05223	3.8
174.06726	8.2
175.07574	16.1
176.08336	2.1
177.05475	8.3
177.09117	2.0
179.07060	3.9
181.06503	1.9
187.07550	31.2
187.09131	2.8
188.08301	1.6
189.09088	14.9
190.07722	1.6
191.08606	3.8
196.05244	5.9
199.07573	3.1
202.07819	4.2
203.08571	10.6
205.06598	2.7
205.08643	1.6
211.07544	20.6
212.04689	3.3
213.05499	3.1
217.08597	12.8
218.07288	1.8
219.08119	9.6
220.08827	6.9
221.06111	2.5
221.09642	2.4
227.07025	23.5
228.07899	2.7
231.08029	17.2
232.08844	4.0
233.06015	3.4
234.06804	2.0
235.07568	2.5
236.08167	2.3
237.09065	3.5
239.07045	17.2
240.07805	16.8
241.05005	3.6
241.08600	4.3
247.07449	6.9
248.08319	22.3
249.05565	3.1
249.09027	6.3
250.06201	1.9
251.10617	3.8
253.08505	3.2
254.09540	2.2
255.06517	9.4
256.07339	7.2
259.07584	5.5
260.08392	2.2
261.09207	3.3
262.09628	3.2
263.07404	2.6
263.10651	19.9
264.07898	2.4
265.08691	6.6
268.07227	6.9
269.12311	2.4
270.08835	30.8
271.09653	46.7
276.07834	10.9
277.08554	6.9
278.63266	1.6
279.10132	12.0
280.10880	3.5
281.08203	3.8
281.11700	4.1
283.09576	13.3
291.10141	58.7
292.10916	4.2
293.08051	7.5
295.13171	2.0
296.10440	6.1
297.11203	4.2
308.10303	9.0
309.11197	6.5
311.12750	9.3
313.14243	2.2
323.12753	42.5
341.09973	2.9
341.13828	24.9
341.20618	2.2
341.24615	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05464	1.2
71.04985	4.8
71.27660	3.2
76.80534	1.1
77.03934	1.2
79.05461	1.9
81.07054	3.2
91.05482	3.8
94.04184	3.3
95.04964	2.6
103.05422	1.7
105.07049	1.3
107.04949	76.4
109.02890	2.0
109.06514	3.1
111.04488	1.9
115.05487	2.4
117.06986	1.5
122.03640	8.5
125.26521	1.2
128.06215	1.8
129.07004	7.9
131.04919	5.3
133.02826	8.0
137.05974	100.0
138.06163	1.2
143.04849	1.7
144.05708	3.2
145.06483	2.8
146.07231	1.2
147.04388	2.5
147.08061	1.4
149.05983	4.1
151.03899	2.8
151.07542	6.9
153.05501	1.2
157.06471	4.5
158.07233	2.0
160.05177	5.0
161.05910	2.9
162.06720	1.4
163.07541	4.8
165.05518	8.7
167.07129	1.6
168.05675	1.7
172.05196	4.4
174.06714	9.0
175.07532	18.3
177.05478	5.4
177.09042	1.9
179.07036	4.5
185.06038	1.8
187.07532	32.6
189.05496	1.4
189.09055	12.2
191.07008	2.4
191.08571	2.1
193.05051	2.1
196.05191	6.7
197.05968	2.9
199.07571	4.0
202.07793	3.9
203.08536	13.5
205.06468	3.5
205.08459	2.1
206.07268	1.6
207.06526	3.9
211.07515	25.3
211.09373	1.7
212.04655	2.5
213.05534	2.9
217.08545	12.6
219.08096	8.3
220.08791	7.6
221.09615	1.6
225.05420	3.2
225.09099	2.1
227.07030	18.3
228.07768	3.1
231.08047	14.6
232.08899	3.7
233.06026	2.0
233.09645	3.5
234.06725	1.8
235.05817	12.3
236.08316	2.2
237.09073	3.3
239.06995	16.3
240.07828	12.6
241.04840	2.1
247.07590	6.1
248.08351	24.5
249.09027	5.0
250.06300	2.0
251.10699	3.8
253.08546	2.5
255.06474	14.3
256.07278	10.8
259.07507	6.1
260.08249	3.2
261.08951	1.5
262.06363	1.2
262.09857	1.8
263.07413	2.0
263.10678	20.3
264.07803	3.0
265.08539	6.4
266.09061	1.7
268.07306	3.9
269.07983	1.7
270.08865	31.4
271.09628	47.2
276.07782	12.9
277.08542	5.9
279.10214	11.1
280.10913	2.7
281.08139	2.2
281.11670	2.5
282.08972	1.3
283.09668	11.5
284.10178	1.8
285.11194	1.5
291.10126	59.0
292.10861	4.8
293.08133	8.9
295.09619	2.2
296.10379	5.7
297.11267	4.6
305.11548	2.8
307.09692	1.6
308.10455	8.3
309.11249	2.3
311.12799	10.8
313.14270	3.3
323.12738	38.0
341.10117	4.2
341.13782	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01866	1.2
55.05519	0.9
61.81255	0.7
65.03936	0.8
69.03390	0.9
69.07072	0.8
70.25621	2.8
79.05480	3.4
81.07041	2.7
85.06084	0.7
91.05467	6.3
93.07018	1.6
94.04165	3.0
95.04936	1.4
95.08587	1.0
103.05461	6.1
104.06256	0.7
105.03339	1.0
105.07024	5.7
107.04942	2.7
107.08624	0.7
109.06479	2.8
115.05447	3.8
117.07008	2.9
118.04158	0.7
119.04969	1.1
119.08593	2.9
121.06550	1.3
121.10109	0.7
122.03641	8.8
128.06198	2.3
129.06998	3.9
131.04927	6.8
132.05708	3.7
133.06490	4.2
137.05965	100.0
138.06306	2.0
141.06924	0.8
143.04897	1.0
145.06438	1.8
146.03658	0.9
147.04404	5.2
147.08037	6.4
149.05945	1.6
151.07541	0.9
153.01808	1.3
155.04909	0.9
156.05635	1.5
157.06447	1.2
159.08072	2.9
160.05191	2.6
161.05968	10.6
163.07509	5.7
165.06999	1.0
167.06969	1.3
168.05667	0.8
168.24268	0.7
171.07979	1.4
172.05188	1.4
175.07535	42.4
175.46593	0.6
177.09050	1.3
179.07056	1.7
184.05273	1.2
185.06056	0.9
187.07529	7.6
189.09120	2.0
190.07722	3.6
191.08556	7.5
191.10159	1.0
199.07527	9.5
202.07690	4.9
203.08524	7.6
205.06517	1.5
207.07976	1.6
208.08891	1.0
217.08595	1.6
218.07248	2.2
219.08041	10.2
219.10059	1.3
220.08701	2.5
221.09633	1.5
230.07199	0.9
231.08051	7.4
232.08833	1.9
233.09540	0.9
235.07762	1.4
235.10942	1.0
236.08302	2.3
237.09148	1.3
238.09720	0.8
246.06729	0.9
247.07574	4.6
248.08212	4.7
249.09071	1.9
251.10658	10.0
252.07623	0.8
259.07553	4.3
260.08264	1.5
261.09027	0.9
263.10614	3.0
264.07761	2.0
265.08655	1.3
276.07693	1.0
277.08588	3.2
279.10123	8.8
291.10095	6.2
292.10718	4.0
293.08041	1.6
295.09705	0.8
295.13284	1.2
296.10449	1.2
309.11145	2.2
310.11847	0.7
311.12747	7.3
323.12741	4.8
341.10098	1.1
341.13770	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	340.1025
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
54.25054	0.3
55.01870	0.4
57.03428	0.6
61.02909	0.9
61.16551	0.2
66.74464	0.3
69.03429	2.3
71.04976	0.6
71.70437	0.3
71.70862	0.4
72.90872	0.2
73.02918	0.6
81.03409	1.2
81.03889	0.2
85.02900	6.3
87.04485	0.3
90.53024	0.3
91.03961	0.3
97.02886	2.2
97.47207	0.3
99.04447	0.5
100.11260	0.5
103.61708	0.3
104.04996	0.8
109.02859	0.7
122.06026	0.7
122.22476	0.3
127.03874	1.0
132.03539	0.4
132.04451	5.0
137.05980	0.7
145.04922	0.9
178.04985	100.0
179.05327	3.5
187.28169	0.3
322.24774	0.3
340.10254	0.7
340.25980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0865
Annotation	4-O-beta-D-glucosyl-esculetin
Peak:m/z	Relative Intensity
53.03924	0.7
55.01856	0.6
57.03441	0.5
61.02882	0.5
61.24498	0.5
65.03909	0.9
67.05486	0.9
69.03423	1.9
69.07055	0.9
70.59364	1.4
70.59715	1.0
71.04969	0.6
73.04723	0.8
79.05482	0.8
81.03396	0.7
85.02900	2.8
87.43072	0.6
88.34634	0.5
91.05807	4.5
95.04944	1.8
97.02920	2.8
99.04434	1.3
102.28105	0.6
105.03394	0.7
107.04958	0.9
109.02924	0.7
111.04426	2.1
123.04419	12.1
127.03927	1.4
133.01913	1.0
133.02837	9.1
135.04401	4.9
137.05917	2.9
139.03891	18.6
147.04416	0.7
151.03902	6.1
163.03876	1.7
165.05516	0.6
167.03317	0.6
175.07497	0.8
179.03377	100.0
180.03680	1.7
181.04936	1.8
187.07544	1.3
201.05487	0.7
203.03270	0.7
217.08691	0.8
231.06361	0.7
240.04225	0.6
243.06430	1.2
259.05966	0.9
261.07629	1.7
269.04413	3.0
277.07037	0.7
287.05505	3.5
305.06479	2.3
323.12857	0.6
341.08594	3.1
341.13199	0.7
359.02756	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03950	1.4
55.01857	1.1
55.05508	43.8
57.03435	1.8
57.07069	1.6
60.47514	0.8
67.05505	4.4
69.03441	1.4
69.07059	16.9
69.41994	2.7
69.42413	6.6
71.04990	1.0
79.05492	2.1
81.07049	19.8
83.08613	3.9
85.06512	2.0
87.08093	1.0
91.05463	2.1
93.07037	8.0
95.04956	1.5
95.08600	26.1
97.06529	2.5
97.10162	100.0
98.10520	1.1
98.55803	0.9
99.08075	1.1
101.06030	2.4
105.07018	4.6
107.08578	6.8
109.06539	1.2
109.10150	9.4
111.08092	1.5
119.08582	5.2
121.10152	4.7
123.08067	1.8
123.11697	4.0
125.09616	18.9
131.08554	1.0
133.10127	2.7
135.04456	2.1
135.11703	3.1
137.06003	1.6
137.13264	1.5
139.11189	3.2
140.11713	0.9
143.10667	35.9
145.10059	1.5
147.11700	2.9
149.05956	2.1
149.13257	3.0
151.07515	1.1
151.14818	3.7
153.12743	1.2
157.12231	2.9
159.11720	1.7
161.13280	3.4
163.11247	1.2
165.12759	2.1
167.14330	1.9
171.10202	2.5
175.14912	1.4
177.05434	1.1
177.12749	1.6
178.13498	1.1
179.14323	3.4
187.14877	1.3
189.11188	8.5
191.08614	1.8
196.10393	0.8
218.07248	1.2
219.08052	1.5
219.35829	0.9
247.07588	2.1
251.10825	1.2
258.58948	0.9
264.07886	1.3
265.08481	1.3
277.21423	0.9
278.09409	1.1
279.10089	1.6
293.24768	2.4
295.09891	1.0
303.23181	5.7
307.09625	3.0
308.10083	1.4
311.12738	1.7
321.11212	1.6
321.24234	26.4
322.24545	1.3
339.12042	4.0
339.15814	2.0
339.25449	3.4
340.12445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03939	2.1
53.92274	0.7
55.01864	0.9
55.05507	47.8
56.25108	0.8
56.96557	2.7
57.03422	1.2
57.07069	2.2
59.04992	1.0
67.05496	8.4
69.03419	2.4
69.06705	1.2
69.07063	21.2
69.46719	1.8
69.47141	6.2
71.04988	1.4
73.06554	1.4
79.05480	5.5
81.03387	1.1
81.07050	24.1
83.04974	2.0
83.08614	4.7
83.27203	1.0
84.18718	0.7
85.06523	2.7
87.08076	1.6
91.05466	3.4
93.07030	9.2
94.48308	0.8
95.04955	3.3
95.08601	29.5
95.09222	1.5
96.08934	1.3
97.06509	1.9
97.10160	100.0
98.10500	1.4
99.08064	2.4
101.06019	1.8
105.06990	5.5
107.04948	2.0
107.08581	8.7
109.06483	1.8
109.10146	8.8
111.04453	1.1
111.08063	2.7
111.11687	1.8
116.88439	0.7
117.06996	1.1
119.04948	1.7
119.08558	5.4
121.10128	7.4
123.04404	1.1
123.08069	1.7
123.11680	4.6
125.09615	17.2
131.08592	1.2
133.10143	2.6
135.04430	1.9
135.08005	1.3
135.11664	4.2
137.05939	1.4
137.09590	2.0
137.13213	2.4
139.03889	3.4
139.11171	4.3
141.09055	1.3
143.09550	1.8
143.10663	33.2
144.11024	1.0
145.10100	2.1
147.11688	2.9
149.05930	1.9
149.09573	1.0
149.13254	5.2
151.07538	1.3
151.14856	4.0
153.01839	3.0
153.12714	1.1
157.12247	1.9
159.11748	1.6
161.13258	3.7
163.03911	1.8
165.12747	2.3
167.14345	1.6
171.10158	1.6
173.13187	1.1
176.14345	2.1
177.05475	3.3
177.12756	2.3
178.05766	0.8
179.14310	4.4
187.14734	1.8
189.11215	7.7
195.13744	1.3
217.12167	1.2
219.08083	1.7
219.10158	0.9
221.46069	0.8
226.98679	2.0
244.99724	2.9
247.07567	0.9
263.00760	3.4
263.06998	1.1
275.23676	1.8
277.03705	1.5
277.08652	0.9
279.10187	1.8
285.22144	1.0
293.24619	1.8
303.23096	5.7
307.05869	0.8
307.09409	1.5
311.12756	1.4
321.24200	33.0
322.24487	2.7
339.08600	12.0
339.12436	2.3
339.17862	1.3
339.25131	4.3
340.09119	2.0
340.12860	1.2
340.19180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1586
Annotation	Bauhinoxepin B
Peak:m/z	Relative Intensity
53.60764	0.8
55.05502	1.3
60.96165	0.9
65.03916	1.6
67.05495	2.2
71.70002	1.1
73.43513	0.8
79.05486	2.5
81.03387	1.7
81.07038	2.0
91.05463	2.1
95.08591	1.2
95.58656	1.0
98.57761	0.9
103.09998	0.8
104.64187	0.9
105.07022	1.3
107.04970	4.6
109.10125	1.2
110.03660	2.0
111.04436	2.8
115.05453	5.2
121.10172	0.9
125.05968	3.7
128.06218	6.1
129.06995	10.4
131.04933	1.4
133.06465	6.2
135.04378	1.0
137.05986	4.6
139.03853	2.6
141.06972	2.7
143.04909	1.5
144.05719	1.4
145.06448	2.7
147.08006	1.1
147.11702	1.1
149.05928	2.5
152.06239	1.3
153.05460	3.9
153.06821	0.9
154.06242	2.0
155.08572	1.6
157.06491	7.2
157.10086	9.9
161.06052	2.2
163.07536	2.7
165.06976	3.4
166.07864	1.0
167.06998	4.7
167.08430	2.0
168.05669	2.1
169.06447	2.5
170.07233	1.5
171.08098	2.4
176.06134	1.4
177.07014	3.3
178.07800	3.1
179.08548	1.9
181.06476	3.6
183.08093	1.8
185.09579	14.6
189.06992	2.6
190.07841	2.7
191.08516	4.5
193.06525	2.0
193.08575	1.5
194.07260	4.9
195.08040	2.9
197.05962	1.2
199.07527	1.2
202.07747	3.0
203.08624	4.8
204.05849	1.3
204.09303	4.2
205.06514	11.9
205.10078	1.6
206.07259	3.3
207.08057	6.2
207.09879	1.6
208.05162	3.9
208.08598	1.2
209.05991	1.9
209.09644	3.6
210.06696	1.6
211.07492	1.6
215.08574	2.5
217.06439	1.5
217.10159	1.1
218.07208	6.1
219.08023	11.5
219.11670	4.0
220.08649	1.3
221.06023	4.7
221.09564	3.3
222.06705	7.6
223.07558	7.7
223.11092	1.3
225.05536	1.6
225.09149	1.4
227.06992	2.7
228.09430	1.5
229.10124	3.3
231.08018	3.6
232.05177	1.1
232.08789	6.7
233.05983	9.7
233.09509	4.8
234.06721	4.8
235.07573	7.0
236.08240	2.4
236.11797	1.5
237.09053	13.1
238.06093	1.2
238.09645	1.2
239.06990	2.0
241.08609	3.3
245.09595	1.9
246.06735	3.7
246.10349	2.7
247.07520	13.4
247.11171	20.2
248.08118	1.9
248.11842	1.9
249.05466	2.8
249.09151	5.0
249.12656	1.0
250.06256	8.4
250.09877	2.0
251.07060	9.3
251.10721	3.7
252.07961	1.6
253.08603	3.7
257.09592	3.1
259.07446	2.0
260.08405	4.4
261.09061	15.6
261.12766	2.0
262.06308	1.2
263.06992	3.1
263.10556	1.8
264.07785	4.6
264.11441	4.2
265.08578	29.9
265.12183	4.8
266.09274	5.4
268.07248	1.6
273.09015	1.2
274.09796	3.6
275.10632	23.5
276.11319	3.8
277.08585	11.4
278.09338	7.5
279.10172	6.9
279.13763	14.2
281.08008	2.0
282.08990	1.2
283.09641	7.7
289.12103	6.4
291.10196	2.2
292.10873	3.5
295.09564	1.5
296.10422	1.9
297.11157	3.8
307.13257	54.9
308.13892	4.3
311.12762	1.2
324.13559	2.4
339.15881	100.0
340.16211	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	339.1226
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
52.48693	1.4
53.03937	2.1
55.01874	1.6
55.05505	18.1
57.03425	1.7
57.07053	1.5
59.82712	1.3
65.03923	3.0
67.05510	9.3
68.89897	1.2
69.03403	3.3
69.07069	12.7
71.04971	2.2
71.71683	1.9
71.72083	1.7
75.73752	1.4
76.21488	1.3
79.05487	4.3
81.03391	1.4
81.07053	18.6
82.50297	1.3
83.04967	3.1
83.08617	2.3
85.02905	3.8
85.06502	2.2
89.03915	3.1
91.05479	6.3
91.10249	1.2
93.07036	8.6
95.04955	4.8
95.08595	17.3
97.06536	1.5
97.10158	41.1
98.90662	1.2
99.04446	1.9
99.08092	2.0
103.05425	2.1
105.07011	7.5
107.04942	5.8
107.08563	6.1
109.06538	1.5
109.10160	8.7
110.03662	1.8
111.04441	3.1
111.08063	2.0
111.11703	2.3
115.05441	2.6
116.06267	1.5
117.03355	6.5
119.04937	2.0
119.08576	6.1
121.02880	1.7
121.06480	2.7
121.10134	6.8
123.04410	1.2
123.08055	2.1
123.11703	5.2
125.05986	4.7
125.09614	8.8
128.06224	1.4
129.06967	2.3
131.04893	2.8
131.08536	2.4
133.06470	2.0
133.07422	1.2
133.10120	4.5
135.04399	4.1
135.11662	3.7
137.05966	9.9
137.09601	5.1
139.11172	3.1
143.04881	1.5
143.08315	1.4
143.10677	14.6
144.05614	3.0
145.02826	18.0
145.06497	7.0
146.07243	1.8
147.04422	1.8
147.08055	2.5
147.11681	3.7
149.05939	6.1
149.13194	2.7
151.03922	2.8
151.14879	2.3
153.05475	5.3
155.04861	1.4
157.12134	1.9
158.07257	1.4
159.08041	11.8
161.05968	4.5
161.13242	2.5
163.07561	1.4
163.11238	1.8
165.05530	2.0
165.06982	4.1
165.09077	8.0
165.12680	2.2
167.07060	2.0
167.08543	1.5
167.14354	1.3
171.04373	2.7
175.07553	1.5
177.03964	2.8
177.05464	36.0
177.06990	3.4
178.05872	1.9
178.07768	5.0
179.03297	1.7
179.08533	4.4
181.06450	1.8
182.15326	1.2
185.05968	8.5
186.06776	6.6
187.11125	1.8
187.14803	2.4
189.05463	1.4
189.06932	6.0
189.11174	1.9
190.07713	7.6
191.08502	13.9
193.06477	4.1
194.07231	1.9
195.08018	3.3
199.03961	1.7
202.07762	5.1
203.08530	4.4
205.06468	7.7
205.10103	1.7
206.07275	4.8
207.08026	11.9
208.08771	8.7
209.09639	1.4
211.07549	1.9
214.06209	10.4
217.06451	1.6
218.07254	14.1
219.08022	32.7
220.08826	13.5
221.05922	13.7
221.09521	4.7
222.06676	2.8
223.07552	3.0
223.11147	2.4
225.09169	2.7
229.08562	21.3
231.08090	1.6
233.05899	3.5
233.09572	4.2
234.06732	7.7
235.07538	30.5
236.08278	24.6
237.09015	5.9
238.06281	2.6
239.07085	2.1
246.06679	5.7
247.07474	16.8
248.08258	5.1
249.05432	6.3
249.08997	8.0
250.06169	3.4
250.09785	4.8
251.07155	2.6
251.10654	35.3
252.11008	2.1
253.08566	6.5
261.09131	5.4
262.06226	1.9
263.07007	17.2
263.10104	1.6
264.07803	46.4
265.08542	18.3
266.05716	2.3
266.09183	1.4
275.07019	5.8
275.10703	3.7
275.23486	1.4
277.05551	1.7
277.08475	9.1
278.09293	13.8
279.10123	33.5
280.10797	5.9
281.08136	16.4
282.08539	1.3
282.27441	1.4
283.13150	1.4
289.08594	2.7
291.06516	2.4
292.07214	9.8
293.08087	11.5
294.08704	2.4
295.09741	2.1
296.10364	4.3
297.11142	3.8
303.23166	5.3
306.08795	4.1
307.09622	76.3
307.12863	3.1
308.10324	17.0
309.07559	2.8
309.10886	2.3
311.12744	86.1
312.13104	4.4
315.18787	1.3
321.11041	3.6
321.20898	2.2
321.24277	11.6
323.09015	1.8
324.09940	6.9
339.12231	100.0
339.25314	2.5
340.12625	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.01863	0.7
55.05498	5.1
57.03462	0.8
59.92679	0.7
63.02374	0.7
67.05499	4.5
68.53602	0.6
69.03411	2.3
69.07064	6.0
70.90109	1.9
79.05479	2.2
81.03407	1.4
81.07043	8.7
83.04956	1.0
83.08629	1.1
85.02879	2.7
85.06525	1.2
89.03896	6.4
91.05461	3.3
93.03435	0.6
93.07027	5.6
95.04944	2.9
95.08606	7.8
95.66120	0.6
97.02859	2.3
97.06477	0.7
97.10155	8.3
99.04413	1.3
101.05981	0.9
103.05447	1.3
105.07015	2.9
106.17068	0.6
107.04929	2.4
107.08578	3.4
109.02869	1.1
109.06503	1.6
109.10147	7.7
111.04427	0.9
111.08086	0.8
111.11697	0.7
115.05453	0.6
117.03362	25.5
117.07006	0.8
119.04878	0.7
119.08578	2.9
121.10153	3.1
122.10546	0.6
123.08002	0.7
123.11678	2.2
125.05977	1.4
125.09615	1.8
127.03908	1.2
129.06984	1.0
131.04924	1.2
131.08574	1.2
133.06467	1.3
133.10126	1.3
134.03616	1.8
135.04417	3.3
135.11679	1.6
136.90164	0.6
137.05974	4.0
137.09602	8.1
139.11145	2.4
143.08531	1.2
143.10643	2.1
144.05713	1.0
145.02832	56.7
145.06468	1.7
145.10107	1.5
146.03185	1.4
147.04367	0.8
147.08038	1.1
147.11667	1.7
149.05980	10.7
151.03870	1.5
151.11211	0.7
153.05429	0.9
153.12711	0.9
157.06448	0.8
157.10178	0.6
159.08018	1.5
159.11694	1.0
161.06003	1.8
163.03966	1.0
163.07480	1.3
165.09103	13.4
165.12761	0.7
171.04379	0.9
171.07983	0.8
175.03864	0.7
177.05453	100.0
178.05812	3.4
178.07574	0.9
179.03244	1.2
179.08537	1.0
179.10663	1.0
183.10156	1.2
185.05968	1.2
186.05453	2.6
187.07626	1.1
189.05435	1.1
189.06976	1.0
190.07751	2.1
191.08530	1.2
193.06610	1.2
199.07567	1.3
201.05544	1.0
202.07790	0.9
203.06952	1.0
205.04903	1.3
206.07277	1.4
207.06337	0.9
207.08076	1.3
208.08794	1.4
214.06224	1.7
215.06985	2.3
217.08640	1.3
217.12224	0.8
218.07225	2.2
219.08095	4.1
220.08817	2.1
221.05997	3.2
221.09464	0.8
229.08560	3.5
231.06519	1.2
233.06061	0.8
233.08075	2.9
234.06764	1.2
235.07507	4.4
236.08292	2.6
237.09077	2.3
242.92007	0.7
243.06459	1.4
245.08110	0.9
247.07599	3.0
249.05402	1.5
249.09190	1.5
251.10632	5.5
253.08601	1.3
259.09689	1.3
261.07407	3.7
263.07034	2.8
264.07751	5.6
265.08496	4.2
273.07455	0.9
275.07074	0.9
275.10629	1.2
277.08652	1.3
278.09396	1.5
279.10019	4.4
281.08054	2.2
292.07211	1.3
293.07996	1.4
297.11020	0.7
303.08640	1.2
303.23029	1.5
307.09619	9.0
307.13013	1.2
308.10242	1.9
311.09421	1.3
311.12726	10.5
321.09467	3.8
321.24081	3.6
324.09738	1.2
339.08231	1.2
339.12198	15.6
339.16000	3.5
339.25095	0.9
340.12698	1.4
346.04218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.05513	0.4
65.03920	0.3
65.29270	0.3
67.05508	1.0
69.03410	0.9
69.07056	0.8
71.01330	0.6
77.03918	0.4
79.05491	0.8
81.03410	0.6
81.07046	1.5
85.02889	1.2
88.00310	0.4
89.03901	7.1
91.05495	1.2
91.45691	0.4
93.07025	1.0
95.04966	0.4
95.08582	1.5
97.02879	1.7
99.04453	0.6
103.05485	0.8
105.07027	0.8
106.04183	0.6
107.04936	0.5
107.08605	0.9
109.02880	1.3
109.10130	1.0
117.03368	23.4
118.03686	0.4
119.04969	0.4
121.10116	0.8
123.11700	0.9
127.03903	0.8
129.04446	0.5
129.06999	0.5
131.04892	0.7
133.10139	0.5
134.03592	1.8
135.04424	2.3
135.11595	0.7
137.05966	1.5
137.09526	0.7
139.03957	0.5
139.11154	0.6
145.02834	61.4
146.03160	1.6
147.04381	0.7
147.07961	0.4
147.11700	0.6
149.05965	9.7
151.03893	1.9
157.06467	0.4
158.06046	0.6
161.05890	0.9
163.03871	0.7
165.09146	0.4
169.06479	0.7
171.04381	0.6
171.08109	0.6
172.05144	0.6
173.05927	0.5
175.03854	0.7
175.07504	0.5
177.05455	100.0
178.05782	3.0
181.06335	0.5
185.05972	0.4
186.05534	1.8
187.07503	1.1
189.05460	0.8
195.06490	1.1
197.05975	0.6
199.07468	0.9
201.05499	0.9
203.07025	1.3
205.04919	2.1
207.06360	0.5
215.06995	2.5
217.04825	0.4
217.08539	1.3
218.07251	0.6
219.07901	0.6
229.08574	0.6
231.06436	2.0
231.10138	0.5
233.07993	2.4
235.07605	0.8
241.08495	0.6
243.06534	0.9
247.07524	0.5
249.09131	0.5
257.07996	0.5
259.09406	0.7
261.07538	4.0
263.00742	0.5
265.08502	0.6
273.07425	1.0
278.09317	0.4
279.10092	0.6
285.07709	0.6
291.08548	0.6
299.76962	0.4
301.23395	0.4
303.08527	1.1
307.09653	0.9
311.12708	0.8
321.09637	4.5
339.08340	0.4
339.12265	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	339.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.6
61.37148	0.6
61.41547	0.7
65.03924	1.9
67.05489	1.5
68.99792	1.5
69.63683	4.3
69.64100	1.3
73.04748	0.7
73.13647	0.6
79.05473	1.4
81.03374	1.4
81.07011	0.8
83.04964	1.6
85.02897	4.9
89.03918	1.0
91.05473	11.1
93.03392	2.4
95.04955	2.7
97.02901	1.5
103.05450	0.8
105.03397	1.2
107.01327	0.9
107.04924	3.4
109.02867	1.7
109.06499	1.4
111.00763	1.4
111.04437	1.5
117.03379	1.0
119.04931	24.3
121.02834	2.7
123.04411	2.0
127.04070	0.7
133.06471	0.9
135.04408	2.4
137.05992	1.2
139.03862	1.4
145.02814	2.2
147.04395	100.0
148.04768	2.7
149.02330	2.4
149.05948	1.1
149.70854	0.8
151.03900	1.2
153.01820	0.8
159.04373	1.8
161.02293	1.0
161.05960	1.5
163.03931	3.7
165.05447	2.0
171.04463	1.0
173.02370	2.3
175.00276	2.2
175.03877	1.3
177.01826	2.4
177.05470	4.6
187.03874	2.0
189.01790	1.6
191.03384	6.3
193.01369	1.2
194.02065	1.1
195.02779	4.3
201.01660	0.7
205.04962	1.9
207.02904	6.0
215.03322	1.1
219.02866	51.0
220.03244	2.4
225.03926	4.5
233.04422	5.0
237.03915	5.6
245.04561	1.4
257.04053	0.9
261.03934	27.1
262.04446	1.0
291.05054	2.9
292.39337	0.9
297.07300	0.9
303.04947	2.9
321.06128	3.0
339.07129	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	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	3.6
55.01858	9.2
65.03940	3.8
67.05505	3.4
68.99796	14.0
71.16951	8.2
76.79116	3.0
81.03411	5.1
83.01338	3.6
85.02881	4.1
91.05449	4.5
95.04971	7.5
97.02843	6.6
107.04985	3.9
109.02876	8.1
111.04446	7.6
113.57497	3.8
115.50597	3.3
119.04928	5.9
120.15995	3.9
121.02835	5.6
122.03641	6.2
123.04416	13.6
125.02357	8.6
127.03896	8.3
131.04890	5.3
135.04408	6.0
137.02292	6.4
139.03902	100.0
140.04646	12.0
143.04990	4.6
145.02832	3.2
147.04420	9.2
149.02357	7.2
149.06029	4.3
151.03909	13.0
153.01884	5.3
155.03383	55.9
159.04419	7.2
161.05997	4.3
163.03868	30.1
165.01836	4.0
167.03514	4.9
168.04155	6.4
173.02399	4.0
173.05980	6.2
175.03934	8.9
177.05461	99.9
179.03362	7.3
181.04990	9.3
187.03935	17.5
189.05472	10.6
191.03415	15.4
193.05046	8.8
195.02855	3.6
201.05463	6.5
203.03377	50.0
205.04936	51.5
207.06351	3.7
215.03349	29.3
217.04938	7.6
217.12206	3.8
219.02831	9.7
219.43747	4.0
221.04486	11.4
229.04961	8.3
231.02924	12.5
233.04453	57.2
239.03392	14.0
242.02148	10.9
247.06126	9.1
249.03810	4.2
251.05524	32.1
257.04443	13.8
260.03290	6.2
261.03918	5.4
267.02896	14.5
275.05511	7.0
277.03427	10.5
285.03952	9.3
293.06311	3.7
295.04501	26.8
303.05042	21.5
305.50595	3.3
321.06085	24.6
339.07114	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93825	6.0
56.96545	4.6
66.07806	1.2
69.81746	1.1
69.96170	29.1
70.05052	3.0
70.05464	3.7
87.97167	2.4
98.97563	8.3
116.98628	11.2
119.01907	5.1
128.08241	1.4
131.96132	10.4
134.99673	9.7
137.02954	2.1
149.97205	20.2
164.04984	1.2
167.98297	1.5
177.00919	8.9
178.01067	2.7
179.00787	1.8
187.95578	1.1
201.00873	2.0
207.96245	12.0
212.92375	1.3
216.33557	1.4
216.98749	3.6
218.03381	1.3
219.01936	13.1
220.02040	7.5
221.01828	3.2
230.93208	1.3
231.96114	6.8
232.96614	1.5
234.99864	9.4
235.99934	1.4
242.00937	1.4
242.03592	1.2
248.94202	1.7
249.97304	28.3
250.79926	1.5
250.97679	3.0
255.96255	2.1
256.96490	1.9
258.99911	4.9
260.04694	3.0
261.03052	8.5
262.03271	2.8
263.02838	2.9
272.94379	6.5
272.98935	2.2
273.97278	45.2
274.97592	4.7
277.01001	5.2
283.00003	2.6
288.91989	1.4
290.95306	2.8
291.98325	100.0
292.98569	5.7
296.98929	2.6
301.01083	4.6
303.00995	2.1
311.96222	2.2
312.00238	1.3
314.96198	2.0
314.99802	10.8
316.98715	3.3
333.24792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2369
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03925	4.6
55.01863	8.0
55.05504	61.2
57.07051	5.2
63.33209	3.5
64.44193	2.9
67.05483	27.9
69.03416	14.1
69.07063	46.4
70.31290	3.1
70.96932	10.1
71.04986	15.3
72.81137	3.2
79.05483	19.4
81.07047	70.3
83.04521	5.1
83.04975	52.4
83.08604	15.6
85.02898	5.6
85.06557	5.3
91.05479	20.8
93.07034	55.0
95.04948	11.6
95.08600	55.4
97.06523	10.5
97.09593	5.5
97.10166	75.1
98.10544	3.8
99.08107	3.6
105.07014	29.8
107.04243	6.0
107.04945	93.3
107.08587	50.5
109.06503	13.1
109.10136	44.3
111.04462	21.6
111.08063	9.5
111.11687	6.0
113.50471	3.4
118.51397	3.5
119.04861	3.5
119.08581	25.6
121.06481	8.0
121.10138	42.7
123.08050	10.6
123.11689	14.9
125.09614	15.4
131.08571	9.8
133.09198	3.4
133.10085	21.5
135.08041	7.4
135.11685	23.5
135.88344	3.7
137.09605	13.8
137.13275	6.4
139.11166	16.7
143.08549	3.8
143.10667	20.4
145.10120	11.0
147.04413	5.8
147.08061	3.8
147.11667	16.6
149.09569	7.9
149.13202	17.3
151.11194	16.8
153.12679	5.5
157.10020	7.1
157.12155	5.5
159.11674	8.4
161.09637	4.5
161.13213	6.9
163.11121	13.0
165.12634	6.8
167.10695	4.2
171.06554	5.0
173.13312	5.0
173.76231	3.5
175.11142	7.3
175.14755	3.5
177.12619	4.6
179.10748	5.5
179.14230	4.1
181.12250	9.4
185.13190	3.5
193.12222	8.4
195.13713	4.2
199.14731	4.2
207.13631	4.5
217.06520	4.0
231.06273	24.5
231.09511	3.2
233.04202	5.8
251.05225	11.5
255.21115	3.7
273.22208	5.2
277.08966	3.7
291.23169	9.0
293.21252	3.9
301.21567	14.9
319.22665	22.0
319.26102	5.3
337.06607	7.0
337.10483	100.0
337.14496	7.4
337.23605	10.3
337.27231	4.6
338.10806	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2372
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
50.90550	3.2
53.03930	5.8
55.05507	81.6
57.07064	7.2
60.69246	3.0
67.05502	36.3
69.03411	13.0
69.07069	53.4
71.01350	3.8
71.04988	22.8
71.70698	5.0
79.05476	23.7
81.03387	3.2
81.07049	75.5
83.04974	25.3
83.08604	10.1
85.06525	7.9
91.05476	21.8
93.07033	71.4
95.04958	22.5
95.08024	5.1
95.08598	76.8
97.02866	3.4
97.06526	18.1
97.10165	100.0
98.10488	3.6
99.04456	5.0
105.07027	37.7
107.04964	6.1
107.08588	62.2
109.06509	14.6
109.07151	2.8
109.10146	53.4
111.08054	7.5
111.11724	4.7
113.06009	3.7
117.07005	4.3
119.08553	41.9
121.06475	7.1
121.10139	64.5
123.08042	12.7
123.11697	20.5
125.06034	4.3
125.09611	21.2
131.08554	10.0
133.10118	32.5
135.08057	9.4
135.11687	29.4
135.37523	3.1
137.05943	4.1
137.09622	18.8
139.03847	4.8
139.11171	19.8
140.23370	3.0
142.07703	3.5
143.08542	9.3
143.10657	25.0
145.10126	23.1
147.04404	7.7
147.08015	3.8
147.11703	18.2
148.04800	3.7
149.04872	4.5
149.09612	12.3
149.13240	12.3
149.65594	3.3
151.07527	5.8
151.11151	15.8
153.12729	6.4
157.10118	8.6
157.12222	4.7
159.11662	15.0
161.09581	9.5
161.13242	6.9
163.03862	3.1
163.07532	3.2
163.11176	16.4
163.14771	4.4
165.09114	10.3
165.12766	5.5
167.10660	5.2
171.11673	4.4
173.13219	10.5
175.11188	12.6
175.14816	8.5
177.12727	9.8
179.10754	5.8
181.12234	10.2
185.13228	7.0
189.12628	3.6
193.12209	6.6
199.14833	5.7
203.14355	8.0
213.16376	3.9
217.15900	4.5
233.09566	5.9
234.06740	7.1
244.08670	3.6
245.09627	19.4
249.09108	9.3
251.10626	4.7
259.11340	3.9
259.20258	3.1
261.09103	8.6
262.06226	3.4
262.09845	7.5
263.10632	4.9
271.20520	5.0
273.09048	22.9
273.21994	3.9
275.10614	3.0
277.08655	7.3
277.12225	15.7
279.10098	9.3
283.20557	6.6
289.08801	3.2
289.21671	7.1
290.09113	3.5
291.10144	5.9
291.23108	6.0
292.07468	4.3
292.10474	3.8
293.21045	9.9
301.21637	27.0
305.08322	4.1
305.11670	11.7
306.12433	6.3
307.09698	19.9
309.10886	5.5
319.22580	24.8
320.22876	4.2
322.11966	14.3
337.10513	14.4
337.14288	83.4
337.23538	29.8
338.14728	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	337.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05510	5.0
56.51314	0.5
67.05494	1.2
69.03411	0.9
69.07054	0.6
71.04988	0.6
71.72909	0.7
79.05486	1.2
79.23946	0.5
81.07047	1.6
83.04979	27.2
85.02881	1.1
91.05485	1.1
93.07027	1.0
95.04977	1.3
95.08588	1.1
105.07058	0.7
107.04948	100.0
107.08566	0.9
108.05298	2.1
109.06516	0.6
109.10181	1.2
111.03660	1.0
111.04436	19.5
119.08595	0.5
121.06496	3.3
121.10083	0.7
129.05450	1.0
131.08615	0.6
135.08035	0.5
135.11610	0.4
147.04391	0.8
149.05948	2.5
153.05516	0.5
171.06514	4.4
199.07568	0.5
231.06340	1.5
249.47710	0.4
251.05399	0.6
301.21570	0.7
304.27698	0.5
319.22818	0.5
322.11856	0.5
337.10498	3.8
337.16925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01852	0.6
55.05497	5.1
67.05506	1.1
69.03426	0.9
69.07051	1.1
69.73884	1.9
69.74316	1.6
70.83079	0.4
71.04974	0.7
79.05471	0.7
81.07034	0.9
83.04971	27.7
85.02884	1.1
91.05456	1.3
93.07019	0.8
95.04980	0.7
95.08585	0.9
97.04672	0.5
104.10610	0.5
105.07021	0.7
107.04940	100.0
108.05273	2.5
111.04430	21.9
112.99364	0.4
121.06485	3.0
121.10112	0.6
129.05455	1.3
149.05928	3.1
171.06503	4.6
211.51349	0.6
231.06323	1.6
233.04405	0.5
251.05257	0.7
270.73291	0.5
337.10440	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01857	0.5
55.05504	4.7
56.96566	0.5
61.85030	0.3
65.03934	0.4
65.43091	0.3
67.05495	0.6
67.61414	0.3
69.03054	0.5
69.03421	8.0
69.07038	0.4
71.01345	0.3
71.04971	0.6
71.52192	0.3
72.69308	0.2
73.45557	0.3
76.47868	0.3
77.03920	0.3
79.05469	0.7
83.04974	19.2
84.05291	0.8
85.02895	5.7
87.00810	1.1
89.02375	0.6
91.05461	3.1
91.51098	0.3
93.07022	0.7
95.04942	1.1
95.08591	0.6
98.20653	0.5
99.04434	0.3
107.04944	100.0
108.05281	1.8
109.10126	0.6
111.04433	44.5
112.04772	1.2
119.04919	3.9
119.08584	0.3
120.05253	0.8
121.05605	0.4
121.06477	3.2
121.10147	0.4
129.05475	5.5
147.04398	11.8
148.04715	3.7
149.04977	2.2
149.05980	2.3
153.05449	14.1
171.06523	1.7
171.08031	0.8
175.03925	0.6
175.07527	0.7
191.07092	0.3
193.05031	1.4
199.07535	0.9
201.05528	0.4
207.06131	0.3
213.09114	0.7
217.08517	1.9
223.07658	0.5
229.65402	0.3
231.06244	1.0
241.08591	0.9
251.05219	0.5
259.09686	0.6
303.04898	0.6
305.07523	0.3
337.10291	3.5
359.00644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07597	3.4
56.61890	3.4
60.57963	3.6
66.90691	4.0
67.17434	4.1
69.14400	4.4
69.44524	39.6
87.59964	3.4
98.21458	10.1
101.00895	8.2
103.02428	4.7
119.01907	14.2
131.01898	14.4
143.01909	4.7
145.03448	33.3
155.01883	13.7
157.03435	21.6
159.04942	4.6
173.02974	26.5
175.04509	7.9
189.02481	5.0
209.99916	3.6
217.01912	40.2
229.01935	19.2
235.02933	15.2
247.03017	10.3
294.50824	4.2
337.08771	59.8
337.11038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.01570	0.7
53.03952	4.3
55.01878	0.9
55.05505	24.5
57.03430	25.3
57.07066	2.3
62.72436	0.5
65.03925	4.0
66.14413	0.7
67.05499	98.1
69.03433	1.1
69.07065	21.3
71.04984	2.3
71.72666	1.1
73.44612	0.7
75.45946	0.6
77.03886	0.8
79.05486	45.1
81.07050	83.9
83.04965	2.2
83.08611	9.5
85.06533	1.7
91.05474	24.7
93.07038	53.9
95.04956	5.0
95.08598	71.2
97.06529	2.9
97.10160	2.9
99.08115	1.3
104.06351	0.7
105.04510	1.2
105.07024	17.8
107.08582	26.0
109.06516	2.2
109.10149	27.6
111.08088	1.6
117.07001	4.8
119.08569	11.3
121.06472	0.6
121.10133	20.5
123.08058	2.2
123.11687	9.3
131.08556	7.2
133.10112	6.8
135.11678	13.1
137.13269	2.3
145.10110	4.8
147.04399	1.2
147.11673	5.0
148.09023	0.6
149.09583	1.1
149.13260	6.8
151.14919	0.8
159.11688	4.3
161.13239	3.7
163.14850	2.6
173.13284	4.3
175.14873	2.0
177.16364	1.1
187.14777	3.2
201.16438	1.3
243.21086	1.7
261.22101	5.6
317.24728	1.5
329.66443	0.7
335.25784	100.0
336.26099	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03926	4.3
55.01856	1.1
55.05506	22.5
55.05929	1.0
57.03436	25.5
57.07061	2.9
59.24696	0.9
65.03931	2.1
67.05502	89.8
69.06699	1.3
69.07063	20.8
69.55843	5.6
69.56255	2.9
71.04990	2.7
79.05489	41.8
80.77461	1.1
81.03403	1.0
81.07052	82.9
82.07375	1.1
83.04973	2.2
83.08625	7.4
85.06518	1.7
91.05476	22.2
93.07040	52.3
95.04953	4.5
95.08603	68.8
97.06508	4.4
97.10157	2.9
99.08074	1.4
105.07015	12.9
107.08590	26.2
109.06510	2.5
109.09418	1.5
109.10152	27.9
111.08086	2.5
117.06991	4.5
119.08569	13.7
121.10139	22.5
123.08044	3.7
123.11681	9.2
123.30433	0.9
125.09700	1.0
131.08569	9.4
133.10106	8.7
135.11690	13.0
137.13248	2.6
145.10100	6.8
147.11688	5.0
149.13264	6.4
159.11670	5.1
161.13214	4.7
163.14798	3.4
165.12769	1.6
168.12050	1.1
169.00914	0.9
173.13234	5.3
175.14748	1.1
179.14386	2.2
187.14867	2.8
187.91916	0.9
202.20384	1.0
243.21101	3.7
248.39665	0.9
261.22107	10.5
274.10516	1.0
335.25787	100.0
336.26123	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03925	4.3
55.05506	27.7
57.03437	22.3
57.07032	4.4
67.05500	100.0
69.07075	23.3
69.86090	2.8
70.62038	9.2
78.51736	3.1
79.05493	45.0
81.07053	88.2
83.08601	10.5
91.05479	19.4
93.07037	46.9
95.04939	7.2
95.08032	4.2
95.08602	70.7
97.06524	4.5
97.10156	2.8
105.07034	13.1
107.08578	26.3
109.06516	2.7
109.10148	26.7
111.08088	2.5
117.06997	4.3
119.08567	14.2
121.10126	22.3
123.11719	7.6
131.08553	7.5
133.10100	7.4
135.11652	15.4
145.10132	5.7
147.11688	9.1
149.13243	10.0
159.11688	3.6
161.13226	5.0
166.56328	2.5
173.13251	6.5
261.22244	6.5
278.94214	2.9
335.25784	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03926	2.7
53.63076	1.7
55.05507	19.8
57.03434	24.5
57.07053	1.8
65.03934	3.6
67.05498	96.4
68.05801	2.4
69.07066	20.9
71.04971	2.9
71.70403	3.7
71.70774	1.8
72.10556	1.6
72.88773	1.9
77.29858	1.8
79.05486	40.4
81.07052	84.6
83.08608	11.8
90.60262	1.8
91.05476	23.4
93.07038	49.8
94.01217	1.9
95.04958	5.3
95.08597	74.1
97.06490	3.0
97.10162	3.6
105.07032	15.6
107.08576	32.8
109.10142	29.9
112.96108	2.0
113.68200	2.0
117.07003	5.3
119.08588	11.5
121.10127	19.4
123.11692	11.8
131.08527	9.2
133.10133	8.8
135.11681	11.2
137.13239	4.4
145.10085	5.1
147.11658	5.3
149.13290	7.3
159.11670	4.9
161.13274	4.8
163.14781	3.4
173.13222	5.2
187.14809	3.5
243.21008	3.0
261.22223	10.4
261.24673	2.2
267.42264	1.8
316.42072	2.1
335.25793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03925	4.4
54.00763	0.7
55.01863	1.4
55.05237	1.4
55.05506	26.0
57.03431	25.4
57.07056	2.8
63.74427	0.7
65.03936	4.0
66.35894	0.9
67.05499	100.0
69.06699	1.2
69.07063	24.7
69.51078	8.0
71.04974	3.0
73.48434	0.9
79.05485	49.1
81.07049	89.7
83.04967	1.6
83.08610	8.7
83.64606	0.8
85.06530	2.1
85.41331	0.8
91.05469	27.1
93.07034	53.0
95.04970	6.1
95.08598	71.2
96.08907	1.3
97.06514	3.1
97.10155	4.0
99.21745	0.8
103.05451	1.2
104.03252	0.9
105.04509	1.5
105.07022	18.5
107.08585	27.4
109.06486	4.3
109.10142	27.3
111.08080	1.7
115.16208	0.8
117.07013	7.3
119.08560	16.0
121.10130	19.8
121.10980	1.4
123.08072	2.3
123.11700	9.7
125.09672	1.0
129.07001	1.1
131.08545	11.6
133.10126	12.2
135.04387	1.0
135.08046	1.4
135.11691	14.7
137.09578	1.6
137.13225	4.4
143.08554	2.3
145.10141	9.4
147.04401	1.7
147.11664	8.1
149.13261	5.8
155.08559	0.9
157.10133	1.4
159.11673	6.0
161.09500	1.1
161.13251	5.5
163.14828	3.4
171.11775	1.8
173.13260	6.7
175.14827	2.5
177.16440	1.0
183.11810	1.4
187.14801	4.0
189.16402	0.9
197.13330	1.0
211.14749	1.3
221.13251	0.9
243.21094	3.0
261.22025	6.2
335.25806	98.0
336.26147	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.63319	1.7
54.50235	1.9
55.05510	10.8
57.03433	16.0
61.07214	2.0
64.74828	2.0
65.03937	2.9
67.05499	57.3
69.07076	10.5
70.85492	5.2
70.85871	4.1
79.05477	25.2
81.07053	62.3
83.08612	5.4
89.20743	1.9
90.75154	2.1
91.05469	13.3
91.32420	2.0
93.07034	34.0
95.04945	4.0
95.08599	49.4
101.01959	1.8
102.67541	2.3
104.63448	1.9
105.07014	9.8
107.08583	21.3
109.10146	23.8
117.07008	2.8
119.08569	7.9
121.10135	15.6
123.11710	9.5
131.08540	6.2
133.10141	8.7
135.11693	12.8
137.53568	1.9
145.10085	6.0
147.11636	4.5
149.13255	10.1
152.56964	2.2
159.11679	4.8
161.13268	6.4
163.14804	4.5
173.13321	2.4
175.14841	3.2
187.14742	2.9
204.63060	2.3
243.21121	6.2
261.22144	11.8
335.25775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.185
Annotation	Rubrosterone
Peak:m/z	Relative Intensity
55.05499	10.2
55.25826	2.2
57.03433	4.4
57.07053	7.6
58.74560	2.6
63.62714	2.1
63.70480	2.6
67.05502	30.3
68.99796	3.0
69.03432	2.5
69.07065	25.8
71.04990	3.0
71.72259	3.2
77.83741	2.8
79.05502	18.7
81.07050	100.0
83.04951	3.2
83.08605	3.5
85.61050	2.2
91.05472	9.0
93.07021	14.3
95.04948	3.9
95.08599	85.8
97.10183	2.7
105.06991	6.0
107.04933	10.3
107.08570	9.4
108.09384	2.4
109.02957	3.0
109.10148	16.6
111.04435	4.1
111.11700	6.2
119.08566	4.5
121.10126	10.2
123.04420	6.9
123.10804	2.9
123.11692	43.9
124.56453	2.2
131.08533	5.3
133.10107	4.4
135.04413	35.6
135.11606	5.2
137.05936	7.0
137.13234	70.1
138.83905	2.4
139.03870	15.7
145.10104	3.6
147.04407	11.6
151.03899	19.1
151.07518	2.9
153.05446	6.5
159.08049	2.7
161.05925	9.2
161.07191	2.1
163.03885	34.0
165.01796	3.0
167.03357	10.5
169.05045	3.1
171.11671	2.4
173.05954	4.3
175.07613	8.5
177.09068	3.0
179.03357	15.3
187.07533	9.7
189.09059	8.3
195.06503	13.8
199.05971	5.3
201.09076	9.5
203.07097	3.3
211.06027	17.1
215.07056	3.0
217.08528	3.7
242.55510	2.4
257.15311	17.7
275.16483	7.3
285.14871	16.6
289.03384	4.1
291.04935	3.7
303.15884	16.4
317.17386	4.8
335.18530	6.5
335.22131	3.5
335.25961	12.0
335.29617	2.8
336.23422	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48952	1.0
53.03947	1.8
55.01862	1.1
55.05507	11.8
55.11216	1.1
56.25209	1.2
57.03440	7.0
57.07069	5.4
61.49636	0.9
65.03941	1.8
67.01868	1.1
67.05504	44.8
68.99773	1.5
69.07065	21.4
70.24227	2.4
70.24644	3.4
71.08603	1.7
79.05492	19.1
81.07054	100.0
83.04983	1.7
83.08595	5.1
87.72099	1.1
91.05478	10.9
93.07041	21.0
95.04961	3.2
95.08601	70.1
97.06525	2.3
97.10151	2.0
105.07043	6.6
107.04950	4.0
107.08606	12.2
109.02837	2.0
109.10147	18.7
111.04428	1.7
111.11700	4.8
117.06995	3.0
119.04923	1.7
119.08565	6.3
121.06454	1.3
121.10127	11.9
123.04437	7.6
123.11703	37.7
125.02351	1.5
129.06982	1.3
131.04890	1.5
131.06552	1.2
131.08559	6.5
133.10127	6.0
135.04413	10.1
135.11664	4.8
137.05960	3.2
137.13251	53.9
139.03900	12.0
145.06503	1.4
145.10103	4.5
147.04370	6.6
147.08054	1.3
147.11684	3.5
149.05949	1.5
149.13226	2.8
151.03905	13.2
153.05443	3.1
159.08015	1.8
159.11691	2.8
161.06006	6.7
161.13206	2.6
163.03908	14.4
163.14726	1.7
165.01880	1.9
165.05420	2.2
167.03386	9.1
169.05002	1.8
173.05974	3.5
173.13264	2.5
175.07512	5.8
177.05457	1.3
179.03339	9.1
182.94495	1.1
187.07542	4.7
187.14857	3.3
189.09155	1.9
195.06557	8.8
197.04404	2.1
199.05983	7.8
201.09067	4.7
203.07053	2.1
211.06013	13.7
215.07034	2.5
215.10675	2.9
221.07964	1.2
229.08589	2.0
233.08067	1.7
233.15306	1.6
239.14304	2.2
247.09621	1.5
256.16238	1.2
257.15335	11.3
261.11270	1.4
275.16333	3.4
285.14862	8.8
289.03403	2.6
291.04953	1.5
303.15964	7.8
317.17371	3.3
322.49414	1.3
335.18524	3.6
335.25827	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56692	1.0
55.05501	1.6
56.05061	1.2
56.96535	1.3
59.24473	1.0
60.37633	1.0
65.03934	3.8
65.25266	0.9
67.05499	4.9
69.03416	1.2
69.07060	100.0
70.07410	1.2
79.05486	3.2
81.03439	1.1
81.07042	6.9
83.04990	1.1
91.05470	2.1
92.04994	4.8
93.07028	2.3
94.06559	4.7
95.04939	2.7
95.08559	1.7
96.08125	1.6
97.06517	18.4
98.20756	2.8
105.07051	2.5
107.08596	1.6
108.04452	1.6
109.02749	1.1
109.06518	1.4
117.07038	1.7
118.21565	0.9
119.03674	1.2
120.87022	1.0
121.05270	1.7
121.06525	1.4
121.10182	1.5
122.06035	8.6
124.07600	2.5
130.06546	1.3
133.10036	1.3
137.02345	1.0
137.05980	4.0
137.09569	1.6
138.05489	7.6
140.07060	8.8
144.08112	1.3
145.08850	3.0
145.10057	1.9
146.09660	3.9
147.04329	1.8
147.06760	1.5
148.03937	1.7
149.09596	1.4
150.05486	78.1
153.01831	3.2
157.08875	2.9
159.08075	1.0
159.10461	2.2
160.07590	1.9
161.08345	3.3
162.09151	4.0
164.03439	1.6
166.04971	34.7
167.07129	1.1
168.06593	1.7
170.09529	1.6
172.07578	1.8
172.11185	4.4
173.08308	2.6
174.09102	2.2
174.12767	5.5
176.03439	6.4
177.05496	1.0
178.05017	1.5
185.08426	2.2
186.07605	1.6
188.10687	1.5
190.12248	4.5
192.02829	1.2
194.04482	4.0
200.07018	1.4
200.10817	5.1
202.12253	9.9
205.04846	1.3
213.10101	1.8
216.10210	3.7
217.05020	2.4
218.08333	2.2
218.11742	33.1
221.04515	1.6
226.08739	1.0
228.10164	15.9
229.06084	1.4
229.13541	1.9
233.04427	3.2
234.11296	2.6
243.11224	2.2
244.09708	2.6
245.04376	3.8
245.12842	1.5
246.11259	24.6
246.13608	2.0
255.11217	1.6
256.09796	1.9
257.09164	1.3
261.03876	2.1
261.08752	1.2
261.12317	1.2
271.10675	5.1
272.09158	4.7
273.03931	3.2
273.12341	3.6
274.10715	3.0
287.10205	8.9
289.03357	6.4
289.11780	12.1
290.10101	2.0
291.04953	7.6
299.10233	4.6
317.02908	1.6
317.11304	27.0
317.21207	1.5
335.03998	4.6
335.12265	20.3
335.21851	1.7
336.12772	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	335.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01856	0.3
55.05509	4.2
65.03933	0.5
67.05499	0.6
68.99790	0.4
69.03423	0.7
69.07065	0.6
70.74946	0.9
71.04982	0.4
74.43449	0.3
74.92596	0.3
79.05470	0.7
81.07061	1.7
83.04974	21.5
85.02893	0.6
91.05474	11.9
93.07043	0.6
95.04958	1.0
95.08599	1.2
98.20692	0.3
99.04433	0.3
105.07014	0.9
107.04955	1.0
107.08591	1.1
109.06467	0.6
109.10137	1.3
111.04436	11.4
111.07963	0.3
117.06982	0.3
119.04933	27.1
119.08561	0.6
120.05281	0.4
121.02815	0.5
121.10182	0.4
123.08064	0.5
123.11693	0.4
127.07634	0.4
129.05486	0.6
131.08586	0.5
133.06493	0.4
133.10129	0.3
135.08099	0.4
135.11679	0.5
137.09656	0.3
147.04398	100.0
148.04747	1.7
149.09676	0.3
151.11201	0.6
153.01805	0.5
159.11685	0.3
165.01897	0.3
165.05511	0.5
171.06544	1.0
177.05513	0.4
179.03337	0.5
195.06439	0.6
197.06078	0.3
205.04890	0.9
213.09258	0.4
217.04945	1.3
221.04414	0.3
233.04449	1.1
245.04449	1.0
261.03833	0.7
273.03903	1.1
289.03479	2.2
291.04965	2.7
317.02853	0.4
317.21021	0.6
325.28833	0.3
325.39606	0.3
335.03955	1.5
335.11688	0.9
335.16409	0.4
335.22372	0.4
347.16718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.0
57.00097	0.4
65.03928	0.6
69.03423	5.5
83.04973	6.1
85.02884	1.0
91.04929	0.7
91.05469	8.4
111.04430	22.7
112.04789	0.4
119.04929	21.6
129.05466	1.6
147.04390	100.0
148.04720	1.8
153.05453	9.0
162.23952	0.4
165.05489	1.4
171.06483	0.9
233.07948	0.6
272.25848	0.6
325.22702	0.3
334.29468	0.4
335.11301	3.3
335.29813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
64.48904	0.2
65.03927	0.6
69.03051	0.3
69.03421	5.2
70.89053	0.3
83.04972	6.5
85.02898	0.7
87.00813	0.5
89.02381	0.3
91.05468	12.0
111.04433	20.9
119.04931	26.2
120.05250	0.5
121.01055	0.2
129.05484	1.6
147.04393	100.0
148.04718	1.5
153.05453	8.9
153.06691	0.5
165.05435	1.5
171.06607	0.6
233.08029	0.3
275.09033	0.3
335.11237	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	335.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
65.03909	0.6
69.03419	5.3
71.01357	0.4
82.37105	0.3
83.04974	7.3
85.02885	0.4
87.00823	0.5
91.05468	9.4
93.74410	0.3
107.04892	0.4
111.04436	21.6
114.44566	0.3
119.04935	24.7
120.05260	0.4
129.05486	1.7
147.04396	100.0
148.04759	1.4
153.05457	8.9
165.05450	1.9
171.06523	0.7
186.52895	0.4
217.79831	0.4
229.33568	0.4
233.08144	0.4
279.73331	0.3
335.11212	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	335.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01872	0.4
55.05507	5.1
64.10593	0.2
65.03936	1.0
69.03425	0.5
78.73662	0.2
79.14958	0.2
83.04975	24.9
84.05294	0.2
85.02915	0.4
91.05474	11.6
95.04987	0.5
104.61435	0.2
105.41753	0.2
107.04935	0.6
111.04434	12.0
119.04936	27.7
120.05221	0.3
129.05495	0.4
135.04472	0.2
147.04396	100.0
148.04724	2.1
163.03909	0.3
165.05539	0.2
169.04910	0.2
171.06529	1.2
171.07776	0.2
173.06024	0.3
185.09529	0.2
187.07478	0.3
213.09067	0.4
245.99268	0.2
275.09158	0.4
303.15808	0.2
334.29544	0.3
335.11203	0.6
335.29919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73188	0.2
55.01894	0.2
55.05506	2.1
65.03922	1.2
69.03424	5.1
70.93855	0.3
81.07040	0.3
83.04970	8.2
85.02902	1.1
87.00797	0.4
89.02386	0.3
91.05471	10.5
95.04964	0.3
105.06985	0.2
107.04938	0.2
111.04431	21.5
112.04757	0.3
119.04932	26.7
120.05266	0.5
121.10123	0.2
123.11743	0.2
129.05463	2.1
147.04393	100.0
148.04723	1.2
153.05447	8.2
165.05473	1.5
171.06499	0.7
217.04961	0.2
229.27696	0.2
233.04427	0.3
233.08122	0.4
239.27731	0.2
273.03995	0.3
275.09113	0.6
289.03268	0.4
291.04874	0.6
335.11224	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	335.0735
Annotation	GroPIns
Peak:m/z	Relative Intensity
61.77587	6.0
64.73917	7.6
70.36133	30.3
131.60994	6.5
141.22469	6.1
335.07321	100.0
335.09683	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
60.79633	0.3
65.03926	1.0
69.03427	4.5
70.84030	0.3
70.84377	0.9
78.01048	0.3
79.05464	0.5
83.04971	9.5
85.02879	0.9
87.00848	0.4
89.02381	0.3
91.05474	9.8
95.08604	0.3
96.14838	0.3
111.04432	19.8
119.04935	26.8
120.05254	0.6
122.09815	0.3
129.05475	2.3
137.80847	0.3
147.04396	100.0
148.04697	1.5
151.11157	0.3
153.01880	0.4
153.05455	8.5
165.05400	1.4
171.06509	1.1
203.24980	0.3
205.79268	0.3
214.07076	0.3
233.08128	0.4
289.03293	0.6
317.21313	0.3
335.04205	0.9
335.11209	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70675	0.3
50.75340	0.3
55.05507	4.9
65.03929	1.1
67.05475	0.3
69.03410	0.7
71.04993	0.5
71.45869	0.4
81.07044	0.4
83.04975	23.4
83.54051	0.3
85.02885	0.5
88.11251	0.3
91.05473	12.2
92.61689	0.3
93.07016	0.4
95.05002	0.6
99.04462	0.4
100.11269	0.4
107.04946	0.8
110.05960	0.3
111.04437	11.5
119.04935	27.8
129.05470	0.7
141.11469	0.3
147.04398	100.0
148.04733	1.7
153.01805	0.8
165.05560	0.4
171.06517	1.2
187.07445	0.3
220.06036	0.3
222.50203	0.3
245.04495	0.4
273.03973	0.4
277.68527	0.3
289.03464	0.9
291.04938	0.8
317.02914	0.4
335.03900	0.8
335.11047	0.5
335.22577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01857	13.3
56.96561	56.2
57.03435	22.2
61.02923	19.3
69.03424	44.0
70.03751	4.8
70.06557	4.7
70.93311	11.4
70.93667	4.2
70.98105	9.2
71.01350	4.6
71.04984	4.4
72.32213	3.6
73.02916	18.4
81.03422	21.5
82.67171	3.5
83.04977	5.8
83.35528	3.4
84.04482	6.0
84.08153	8.1
84.96019	12.9
85.02895	100.0
86.03251	3.9
87.04456	11.0
88.99151	11.7
95.85835	3.6
97.02885	48.8
98.03203	4.7
98.96920	3.8
98.97569	76.2
99.04442	7.1
107.00191	4.5
109.02870	8.9
110.97557	15.8
112.99110	26.2
113.03467	41.9
115.03918	9.3
115.82143	4.0
116.98613	43.1
119.01871	14.7
122.03199	4.1
123.05540	10.9
123.30173	4.1
124.99144	4.6
127.03908	23.8
128.98582	30.8
131.00153	34.7
131.01868	9.4
133.03447	5.1
133.04947	15.0
134.99612	10.9
140.98613	4.2
143.00130	16.8
145.03468	11.3
145.04933	7.5
146.99626	33.7
149.01230	29.2
153.01736	5.0
155.01872	4.5
158.99619	23.3
161.01155	18.1
162.98972	4.1
165.00659	18.5
170.99658	7.9
173.01224	8.3
173.02953	10.1
175.02837	12.0
176.03300	6.0
177.00723	26.2
178.04881	18.2
179.02249	4.6
183.91684	3.8
185.02890	4.1
187.00327	7.4
187.04420	4.7
189.00740	18.8
189.02209	4.2
191.02237	10.5
193.03795	4.8
197.03065	5.7
201.00677	11.8
203.02287	6.2
207.01711	8.8
211.04912	5.3
213.03346	6.6
213.05183	10.5
214.98671	4.6
219.01683	40.5
221.05179	4.7
222.03804	5.7
223.01205	5.2
223.04439	3.6
229.01408	8.9
231.59981	4.3
232.04677	5.6
235.06622	5.9
237.02777	72.2
248.99133	5.8
251.04407	8.5
255.03804	7.8
271.02747	4.5
275.04318	7.8
293.05414	19.4
303.05609	10.5
317.04984	5.5
335.06827	50.6
335.13260	8.9
336.06903	4.0
337.08008	20.8
338.08505	4.4
355.09042	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	335.0392
Annotation	Hibiscetin
Peak:m/z	Relative Intensity
51.81226	0.3
52.46914	0.3
54.42291	0.3
54.46952	0.3
55.01850	0.4
67.01848	0.5
68.99776	3.6
69.03418	0.9
71.00974	0.3
72.81425	0.3
81.03406	0.4
85.02863	0.4
94.16140	0.4
97.02853	0.8
103.05444	0.3
105.07081	0.4
107.04887	0.4
109.02866	0.7
111.00783	3.1
111.04423	0.5
113.02358	1.8
119.04924	0.4
121.02861	2.3
121.06478	0.5
123.00727	0.3
123.04427	0.6
125.02337	3.0
126.03128	0.4
127.03891	1.9
131.04898	0.3
137.02295	3.0
139.03880	1.0
141.01825	3.3
142.02577	1.4
147.04367	0.9
149.02327	1.4
151.03897	0.5
153.01807	20.6
154.02159	0.7
155.02249	0.5
155.03384	0.4
161.05930	0.4
163.03873	2.2
164.04240	0.4
165.01836	2.6
166.02650	2.0
167.03371	1.3
169.01297	4.1
177.01830	0.5
177.05391	2.1
179.03389	2.8
181.01292	3.2
181.04861	0.4
183.02881	0.9
183.05367	0.3
187.03865	2.2
189.05414	0.4
191.03377	4.1
193.04956	0.7
195.02873	5.9
203.03397	0.6
204.04144	0.4
205.04922	5.5
207.02849	1.5
208.03699	0.5
209.04478	0.5
215.03305	3.1
217.04955	0.5
219.02878	2.4
221.04428	0.7
223.02373	1.2
229.72089	0.4
232.03590	0.6
233.04396	5.7
233.06619	0.5
243.02794	2.5
245.04414	0.6
247.02394	1.6
260.03207	0.8
261.03909	12.6
271.02319	1.9
271.10852	0.4
279.05173	0.3
288.02725	0.9
289.03375	15.7
291.05002	0.8
299.01831	0.7
306.03534	1.7
316.99460	0.6
317.02866	8.0
317.06256	0.6
317.11203	0.8
335.03928	100.0
336.04251	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	335.0393
Annotation	Hibiscetin
Peak:m/z	Relative Intensity
55.01867	0.9
55.32693	0.4
62.75402	0.3
68.99780	3.2
69.37177	1.1
69.37597	2.7
71.01317	0.4
73.98546	0.3
79.01839	2.0
79.93209	0.3
81.03389	0.5
84.86497	0.3
85.02900	0.4
93.03360	0.6
95.01307	1.0
97.01662	0.4
97.02888	0.9
107.01286	0.7
109.02866	1.7
111.00816	0.6
111.04434	0.7
113.02341	0.6
121.02849	1.2
123.00731	1.8
123.04395	0.7
125.02367	2.9
126.03050	0.5
127.03890	0.6
131.04924	1.2
137.02292	1.9
139.00237	0.8
139.03897	2.6
141.01791	0.6
143.03400	2.3
147.04410	1.5
149.02310	0.6
150.06328	0.3
153.01810	29.3
159.04375	1.6
163.03902	1.5
165.01834	2.3
166.02713	0.5
166.99788	0.4
169.01305	11.5
171.02885	0.4
173.02252	0.7
177.01874	0.4
177.05476	1.3
179.03354	1.2
181.01314	3.3
181.63043	0.3
182.02049	0.8
183.02904	0.5
185.00739	1.7
187.03885	2.9
191.03383	1.9
195.02878	1.2
205.04907	3.1
207.02910	0.5
209.00775	0.4
211.02267	0.8
214.91570	0.4
215.03375	4.2
217.04962	1.1
219.02863	2.0
221.04384	0.7
223.02283	0.6
233.04404	5.8
235.02394	0.6
237.03922	0.5
243.02844	3.0
245.04442	1.4
247.02393	0.8
251.05612	0.5
260.03220	0.5
261.03925	8.2
262.04544	0.5
265.03510	0.5
271.02377	2.9
273.03885	1.4
279.04962	1.0
289.03394	19.8
290.03705	0.8
291.04962	2.7
299.01767	1.2
300.02713	0.4
306.03644	1.1
317.02881	14.7
318.03220	0.8
335.03934	100.0
336.04178	3.1
355.35995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
52.41667	0.2
55.01872	1.3
55.41325	0.2
65.03928	0.4
67.05508	0.2
68.99784	3.2
69.73200	1.5
71.01351	0.5
76.06841	0.2
79.01842	0.5
79.05441	0.2
81.03397	0.5
81.20009	0.2
83.72363	0.2
85.02888	0.3
87.49889	0.2
90.81906	0.2
91.68824	0.2
93.03361	0.5
95.01305	0.7
95.04942	0.4
97.02882	0.6
99.00797	0.4
103.05430	0.2
107.01331	0.2
107.04898	0.3
109.02859	1.8
111.04439	0.7
113.02345	0.7
121.02867	0.8
123.00790	0.8
125.02336	1.8
127.00240	0.5
127.03918	0.4
131.04901	0.8
133.02826	0.5
135.04451	0.4
137.02307	1.2
139.00273	1.0
139.03902	3.3
141.01801	0.5
142.02628	0.2
143.03395	0.7
145.02791	0.3
147.04414	0.5
149.05983	0.2
151.00211	0.2
151.03995	0.4
153.01814	10.7
154.02385	0.2
159.04407	0.6
163.03912	1.6
165.01849	1.6
166.99789	0.4
168.00562	0.3
169.01312	19.4
170.01718	0.2
171.02852	0.6
173.02301	0.3
175.03865	0.3
177.05437	0.6
179.03381	1.3
181.01294	4.2
182.02034	0.4
185.00797	2.1
187.03917	1.4
191.03384	1.1
192.30008	0.2
193.01372	0.4
195.02901	0.6
203.03351	0.3
205.04935	1.6
207.02953	0.4
209.00786	0.4
209.04474	0.3
210.01665	0.3
211.02359	0.8
215.03383	2.5
219.02888	1.1
223.02354	0.5
223.05948	0.2
233.04425	4.5
235.02405	0.8
237.03935	0.6
243.02898	1.6
245.04509	0.3
247.02367	0.5
248.03119	0.3
249.03851	0.3
251.05539	0.6
260.03116	0.5
261.03934	7.0
262.04416	0.2
271.02264	1.2
271.10455	0.4
275.01898	0.2
279.02399	0.2
279.04947	1.1
287.10172	0.3
288.02652	0.3
289.03412	5.4
299.10336	0.4
306.03790	1.7
307.03967	0.2
317.02838	1.2
317.11368	0.6
335.03940	100.0
336.04291	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	333.1905
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03942	4.0
55.01864	4.7
55.05503	5.1
55.80723	1.8
57.03423	10.4
57.07073	18.1
59.05002	14.3
61.02916	14.0
61.99845	2.4
65.67049	1.7
67.05502	12.2
68.99796	2.8
69.03423	34.4
69.07067	12.7
69.85255	1.9
71.05002	4.6
71.70337	2.1
71.70750	3.4
73.02896	4.8
79.05486	2.5
81.03413	15.2
81.07040	6.6
83.04943	2.8
83.08596	7.2
85.02898	100.0
85.06538	15.9
87.04472	3.1
91.03954	2.8
91.05467	3.5
93.07015	9.8
95.04971	5.3
95.08598	61.6
97.02879	28.0
97.06532	8.8
98.98463	22.9
99.04499	3.8
99.08083	18.4
100.98852	2.7
105.07006	3.6
107.04990	2.6
107.08582	14.5
109.02894	10.7
109.06503	12.0
109.10148	22.5
111.08074	12.2
113.09635	68.3
119.08629	2.8
119.16014	2.1
123.04398	5.4
127.03906	23.6
127.11190	45.9
135.11664	19.5
137.05919	4.0
137.13205	5.5
139.03915	6.9
145.02937	2.2
145.04951	17.6
147.04327	3.2
153.01834	18.9
153.05551	2.5
153.12732	98.9
155.14294	12.8
163.03917	4.6
165.05423	3.7
167.06970	3.1
171.13786	53.6
176.98909	3.1
177.12715	3.0
179.03371	5.1
195.13788	3.3
203.03435	3.1
213.14934	3.3
219.02969	2.7
226.10907	3.0
233.04675	2.2
261.03891	4.2
270.09973	6.5
272.11557	4.2
273.12445	2.8
283.10614	2.6
289.03366	3.8
301.03424	5.9
301.11850	34.2
302.12210	2.5
305.02863	4.7
318.03638	6.0
333.02289	11.7
333.05969	21.4
333.09851	4.2
333.14569	7.8
333.19107	5.1
334.02972	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	333.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81178	0.2
60.24444	0.3
60.37319	0.2
65.03929	0.8
67.05487	0.7
69.44989	3.1
70.06532	0.3
70.83995	0.3
74.28409	0.3
77.72547	0.3
78.03521	0.3
81.07027	0.9
85.01146	0.4
91.05472	10.4
93.06996	0.4
95.08577	0.6
98.97530	0.3
98.98460	4.6
100.11237	0.5
105.06959	0.3
107.08567	0.7
109.06516	0.5
109.10162	0.5
119.04930	24.0
119.08578	0.5
120.05275	0.5
121.06475	0.4
121.10118	0.5
123.07983	0.4
131.04889	0.8
137.05956	1.5
139.03914	0.9
147.04393	100.0
148.04733	2.2
153.01807	1.0
159.11725	0.3
163.03911	0.8
167.03442	0.5
167.07051	0.9
173.06116	0.3
176.98920	0.7
203.03407	0.4
210.15002	0.5
217.04944	0.4
219.02884	0.6
245.04706	0.4
259.09885	0.3
273.03882	0.5
273.14703	0.4
274.47476	0.3
287.09125	0.7
288.09940	0.4
301.03479	0.4
318.03717	1.0
333.02399	0.4
333.05988	6.1
333.09695	0.6
333.20706	0.5
334.06549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.5
57.14978	1.1
59.05025	1.2
60.04508	2.9
61.49540	1.1
63.30128	1.3
67.01865	3.7
67.05487	3.7
69.03429	10.6
69.07063	2.6
70.10343	6.2
71.04974	1.3
79.05492	3.4
79.36304	1.2
81.07057	7.2
91.05492	2.8
93.07043	4.7
95.04897	1.3
95.08603	6.3
97.06525	8.6
98.98464	10.7
105.07014	2.2
107.04942	35.7
107.08593	9.6
109.06513	3.7
109.10177	5.9
111.08073	5.3
119.08553	4.1
121.06495	4.0
121.10154	2.2
123.04449	1.7
123.11694	2.2
125.09619	5.7
131.08583	2.4
133.10118	1.4
135.04405	100.0
135.08020	3.4
136.04742	1.6
137.05954	11.7
137.09612	3.8
143.08531	2.4
147.04402	2.3
149.05893	6.3
149.09642	2.5
151.03888	3.1
153.01755	1.4
153.05460	13.9
159.08041	1.9
161.05930	3.4
161.09647	2.9
163.03896	93.7
163.07513	6.2
164.04210	2.1
173.06055	1.1
175.07527	11.6
177.05464	5.6
177.09079	7.0
185.06071	1.9
185.09634	1.3
187.07538	4.3
189.05417	1.7
189.09081	12.5
195.06517	22.6
199.07458	1.6
201.09102	1.3
203.07010	2.7
203.10815	1.5
213.09119	4.2
214.57182	1.2
215.07040	3.6
217.08543	4.2
217.12285	2.9
219.06476	1.6
227.07063	1.8
227.10713	2.4
227.14192	2.2
229.12073	1.5
231.10178	2.5
231.13916	1.3
233.07996	1.5
235.09796	1.7
237.12852	1.9
241.08632	2.6
243.10231	2.5
245.15529	1.7
247.09787	1.8
254.24025	1.3
255.13730	17.2
256.14023	1.6
259.09784	1.6
273.14847	31.5
273.17743	2.3
274.15253	1.7
283.13278	15.5
301.14334	51.3
302.14566	2.6
315.15887	4.7
333.06110	1.9
333.20844	1.7
333.28110	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0965
Annotation	Dihydrotricetin 7,3'-dimethyl ether
Peak:m/z	Relative Intensity
51.83072	0.7
55.01854	2.1
55.05491	1.4
65.03914	1.8
67.05495	1.6
67.47166	0.9
68.99770	1.7
69.03424	22.5
69.53573	0.7
71.69945	1.1
79.05482	3.1
80.87076	0.9
81.03437	1.0
81.07032	1.9
84.04483	0.8
85.02879	1.3
91.05459	1.9
93.07010	1.0
95.04961	2.5
98.98462	13.7
100.98876	0.8
101.16488	0.7
107.04935	4.8
109.02921	1.0
109.06525	1.0
109.69724	0.8
111.00795	0.8
111.04444	1.3
111.95100	0.8
117.03393	0.7
121.02840	0.9
123.04412	5.6
125.05994	0.9
127.03909	0.9
131.04916	1.7
133.02803	2.2
133.39972	0.7
135.04391	8.7
137.05937	4.3
139.03888	92.6
140.04219	2.9
141.05452	5.4
145.02812	1.5
147.04395	2.7
149.05945	3.1
151.03905	3.5
153.01817	6.2
153.05453	7.8
155.03371	1.1
159.04419	4.0
161.05952	1.7
163.03888	23.2
164.04230	1.3
165.01830	3.4
165.05466	100.0
166.05786	3.1
167.03503	0.8
167.07022	3.4
175.03781	1.0
176.98872	1.4
177.05452	10.6
179.03387	1.5
181.04945	13.6
182.36171	0.7
183.02902	5.6
185.05992	0.8
189.05458	2.4
193.05031	1.4
195.02812	1.1
195.06512	7.2
195.08261	1.5
203.03383	1.0
205.04909	2.2
207.02876	1.4
223.06015	2.1
247.05983	1.1
273.07483	1.1
315.08823	3.2
333.05963	5.4
333.09781	17.3
334.09851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0813
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03926	4.1
54.85997	2.4
55.01866	4.6
56.96546	12.5
57.03414	4.3
60.29199	2.3
61.02907	6.4
67.05502	3.5
69.03434	14.0
69.46648	16.9
69.47073	7.7
72.08129	3.0
73.02891	2.9
81.03410	16.1
84.08134	3.8
84.96028	3.3
85.02906	32.8
87.04440	3.3
97.02887	15.1
98.97568	16.3
98.98460	28.8
99.04415	4.4
107.01315	16.3
108.08099	38.4
109.02863	32.7
109.08459	32.4
110.03168	2.7
113.04608	2.7
116.98601	9.3
119.01879	4.3
123.05539	4.6
124.07570	3.7
125.02351	19.1
125.07925	7.6
127.03901	55.0
128.98582	5.1
134.05969	5.1
134.99652	6.2
135.06351	5.5
136.06168	9.5
136.07597	4.4
137.07893	4.7
141.06444	29.5
143.01814	3.3
143.03491	3.2
145.03448	10.5
152.05658	9.8
152.07047	22.1
153.01816	33.9
153.07407	24.9
158.99657	4.5
161.02950	4.8
169.03490	5.5
169.05891	10.4
170.08069	3.2
170.99551	2.9
171.02878	100.0
171.08450	3.6
175.82361	2.6
176.98917	2.7
177.00700	6.0
187.04474	6.0
189.00685	4.1
202.05717	8.2
221.05031	5.2
227.04019	7.2
237.02745	5.6
248.99063	4.2
251.06227	3.0
284.98877	2.7
301.10117	3.2
315.12671	32.9
333.06436	9.7
333.14090	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0601
Annotation	Laricitrin
Peak:m/z	Relative Intensity
63.06924	0.1
65.03923	0.4
67.01845	0.4
68.99781	1.7
69.58453	1.2
69.58781	0.2
70.76549	0.2
81.03400	0.8
96.91453	0.1
98.98450	0.2
104.92005	0.1
105.03370	0.1
105.06994	0.2
107.04920	0.3
108.02078	0.6
108.96200	0.1
109.02863	2.5
109.06458	0.1
111.00786	2.0
111.04434	0.3
121.02830	0.5
121.06492	0.3
123.04428	0.9
126.03046	0.3
126.41467	0.1
127.03911	0.2
131.04909	0.1
132.78542	0.1
133.02815	0.3
133.06497	0.2
137.02328	2.3
138.03084	0.5
139.03891	4.1
140.04648	0.3
147.00713	0.1
147.04391	0.3
149.02315	0.4
149.82468	0.1
150.03123	0.1
151.03885	0.3
152.01035	0.4
153.01816	14.5
161.02324	0.3
161.05971	0.4
165.01826	3.8
166.02588	0.9
167.03383	3.4
167.07030	0.4
170.02126	0.3
171.04405	0.4
175.03899	0.3
177.05417	0.4
178.02560	0.3
178.37810	0.1
179.03389	1.2
182.31668	0.1
183.02896	0.9
188.04614	0.4
189.01822	0.2
189.05447	1.0
191.03387	0.3
192.04163	0.2
193.04964	1.4
195.02899	0.4
199.03862	0.5
200.04590	0.2
203.03387	0.6
205.04910	1.5
206.05707	1.2
207.02875	0.3
208.03650	2.0
210.01581	0.3
213.05388	0.3
215.03355	0.2
216.04179	1.5
217.04939	5.9
218.05247	0.2
219.02863	8.0
220.03363	0.2
221.04529	0.4
227.03380	0.4
229.04948	0.5
231.02928	0.4
231.06505	0.4
232.03581	0.2
233.04417	3.9
234.01582	0.3
234.05176	1.2
241.04956	0.6
243.02856	1.6
244.03654	3.3
245.04434	7.4
246.04799	0.2
247.02397	0.8
249.03943	0.4
255.02888	0.8
259.05975	1.4
261.03894	2.4
262.04617	0.5
272.03107	1.2
273.03906	6.8
274.04507	0.2
277.07068	1.3
280.26590	0.2
283.02328	0.2
284.03015	0.2
285.03879	0.3
287.05496	1.8
289.03412	4.1
290.04166	2.9
300.02536	0.8
301.03403	10.3
302.03961	0.4
304.05859	0.8
305.05905	0.2
315.05045	0.5
317.02567	0.2
318.03677	16.3
319.04007	0.5
333.06009	100.0
334.06332	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.06
Annotation	Laricitrin
Peak:m/z	Relative Intensity
50.67900	0.2
55.01860	0.2
65.03928	0.3
68.99780	1.8
71.01349	0.2
76.36854	0.2
79.05503	0.2
81.03410	0.6
93.03392	0.3
97.87434	0.2
98.98454	0.8
108.02084	0.6
109.02866	2.0
111.00798	2.0
111.04396	0.3
113.75616	0.2
115.05460	0.3
117.92772	0.2
121.02835	0.8
121.06470	0.3
123.04399	0.6
125.02363	0.3
126.03103	0.4
136.01607	0.2
137.02338	2.1
138.03079	0.6
139.03886	3.9
140.04668	0.4
147.04453	0.2
151.03876	0.4
152.01019	0.3
153.01814	14.6
153.05431	0.3
157.05002	0.4
160.05200	0.2
161.02341	0.2
161.05940	0.4
165.01811	3.0
165.05473	0.2
166.02573	1.3
167.03395	3.0
167.07004	0.4
170.02040	0.2
171.04387	0.3
175.03891	0.5
177.05440	0.5
178.02504	0.4
179.03343	1.1
183.02921	1.2
188.04669	0.5
189.05444	1.2
191.03441	0.4
192.04076	0.2
193.04958	1.5
195.02869	0.3
199.03931	0.5
203.03377	0.6
205.04959	1.3
206.05724	1.3
207.02881	0.4
208.03687	1.9
213.05478	0.4
215.03368	0.3
216.04173	1.6
217.04955	6.3
218.01962	0.3
219.02867	8.8
220.03510	0.3
221.04427	0.4
227.03433	0.7
229.04898	0.3
229.43782	0.3
231.02983	0.3
231.06421	0.3
232.03436	0.3
233.04437	4.3
234.01616	0.4
234.05208	1.1
241.04893	0.8
243.02872	1.9
244.03636	3.5
245.04431	8.2
247.02338	0.7
249.03880	0.3
255.02841	0.8
259.06055	1.3
261.03906	2.9
262.04636	0.5
269.04529	0.2
271.02393	0.2
272.03131	1.2
273.03915	5.7
274.04440	0.3
277.07010	1.5
285.60007	0.2
287.05460	2.3
289.03421	4.0
290.04196	2.9
300.02551	0.8
301.03400	10.9
302.03900	0.4
304.05817	1.0
315.05014	0.7
317.02814	0.3
318.03683	16.1
319.03931	0.3
333.06012	100.0
334.06378	3.6
349.27609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03941	1.4
56.96561	3.8
57.03430	1.5
61.02933	4.2
65.03922	0.9
67.05500	2.3
69.03421	8.0
70.01605	1.3
70.02010	2.5
71.04967	0.9
73.02907	2.0
79.05479	1.4
81.03410	2.4
81.05784	0.7
81.07046	0.8
85.02909	8.2
87.04442	1.2
88.94501	0.6
93.05785	0.8
97.02885	4.6
98.97574	3.2
98.98441	2.0
99.04475	1.6
106.06549	4.1
108.08113	100.0
109.02872	1.7
110.29749	0.7
110.97521	0.7
114.99342	0.6
116.98578	1.7
119.01850	0.9
123.05544	0.8
123.06796	4.3
124.07585	15.8
126.02617	0.7
127.03910	1.8
128.02339	0.7
128.98590	1.5
134.06029	9.6
134.99637	0.7
135.02985	0.7
136.06178	0.9
136.06366	1.0
136.07565	15.0
139.43523	0.6
140.02284	0.7
143.00102	0.9
145.04982	0.8
146.99559	1.2
152.07060	69.1
153.01875	1.5
153.07372	1.1
154.08621	1.4
158.99629	0.9
169.03471	0.7
170.08154	7.3
170.99632	0.8
171.02966	0.8
177.00616	1.0
189.00777	1.2
193.00163	0.9
213.03386	1.7
220.04108	1.7
229.04688	1.7
237.02859	0.9
291.03690	0.8
309.04868	1.2
314.12314	34.5
332.13376	48.4
333.01346	0.8
333.13422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.1
57.03430	3.9
57.07073	50.3
59.89155	1.4
65.77108	1.7
67.05504	11.1
68.36287	1.5
69.07064	10.5
70.04227	8.1
70.06589	8.9
70.83769	1.6
71.06923	2.3
71.08257	2.2
71.08624	37.7
75.04462	2.2
76.16124	1.4
81.07059	15.3
83.08617	12.9
85.10172	18.6
88.07593	8.9
89.07963	3.3
91.05473	2.4
95.08599	30.5
97.10169	5.9
98.98462	100.0
100.98871	2.3
102.09151	2.1
103.09517	1.5
106.08646	4.7
107.08938	2.1
109.10146	15.4
111.11653	1.5
116.99487	4.5
123.11678	5.0
125.13270	1.7
145.10156	2.0
174.99254	4.6
175.03925	2.2
176.98897	7.3
239.23724	6.9
247.09708	2.3
257.24786	2.6
313.27338	26.7
313.32941	5.2
331.33960	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
56.96565	3.6
61.02913	8.6
69.03425	16.8
71.62479	6.0
81.03435	4.9
85.02907	82.9
86.09705	3.7
91.03957	5.2
97.02897	20.1
98.98463	100.0
107.04947	28.5
109.02883	3.5
111.46507	3.3
123.05554	5.6
127.03889	19.4
136.06152	5.9
145.04965	36.8
150.98567	3.4
153.01826	11.8
153.05530	11.9
154.02153	6.4
163.06091	5.0
170.08130	7.2
176.98975	6.9
179.03430	12.5
180.03706	12.4
180.08653	10.1
219.06520	4.2
221.62276	3.2
240.01776	2.9
258.04837	4.2
263.35406	3.5
286.01758	3.4
332.13211	4.4
334.28336	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.9
57.03431	6.7
57.07072	100.0
58.67167	1.9
58.87064	1.8
59.29455	2.1
67.05498	23.2
68.99773	1.8
69.07070	16.1
70.06581	4.8
71.08626	65.9
71.09027	3.1
71.39838	2.0
75.04453	3.1
79.05508	2.4
81.07054	30.9
83.08612	19.1
85.06511	2.6
85.10178	33.5
88.07627	6.1
95.08019	3.4
95.08599	43.6
96.61179	2.4
97.10158	9.7
98.98459	35.2
106.08652	3.1
109.10145	26.0
111.11683	6.0
123.11690	7.8
125.13333	2.1
137.13229	4.0
144.13925	2.3
172.34773	1.9
176.98871	3.5
185.04439	14.5
221.22675	2.6
229.13895	2.0
239.23724	17.1
257.24768	4.1
271.09619	4.8
313.27347	51.7
313.32956	5.0
331.30206	3.3
331.33984	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05505	9.7
57.03424	4.3
57.07069	78.5
59.73901	1.6
67.05495	21.5
69.07068	15.9
70.04433	11.6
71.08624	61.3
75.04458	3.3
81.07047	31.8
83.08611	23.8
85.10165	30.9
91.05477	1.9
93.07040	3.1
95.08593	49.6
97.10155	10.7
98.98457	100.0
99.11686	2.3
100.40376	1.9
100.98919	3.3
109.10141	21.7
111.11692	3.6
116.99474	2.2
123.11684	7.8
125.13267	2.2
131.04892	2.7
137.13205	2.7
151.14807	1.9
174.99220	3.9
175.03857	5.2
176.98924	7.1
185.04471	2.3
196.88730	1.9
221.22777	3.4
221.26108	1.9
239.23659	16.7
257.24753	6.5
271.09601	1.8
313.27350	55.1
313.32788	2.4
314.27515	2.5
331.33969	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01855	1.4
67.05473	2.2
69.48580	9.2
79.05463	3.1
81.03376	1.0
81.07051	1.7
86.88171	1.0
87.50958	0.8
91.05481	20.2
93.07027	1.4
94.04175	1.9
94.06586	1.3
95.04948	3.6
95.08577	1.2
98.98464	100.0
100.98845	2.1
103.05443	3.1
105.07007	4.1
106.06538	1.8
107.04949	5.6
108.04478	1.8
108.08154	1.1
109.06509	1.6
111.04453	1.2
112.49163	1.0
115.05442	2.4
116.99483	3.4
117.07001	2.2
119.04924	10.6
120.08013	1.0
121.06545	5.2
122.03655	5.5
123.04396	4.4
128.06203	3.9
129.07014	9.6
131.04921	4.9
131.08543	1.2
133.06464	1.5
134.05962	0.9
135.08025	4.5
136.05193	2.3
137.05980	43.6
145.06447	1.8
147.04388	3.0
149.05977	7.6
151.03954	1.9
151.07542	49.2
151.08766	2.4
152.06190	3.3
153.01854	8.7
154.07747	1.2
157.06509	6.7
158.97820	1.0
161.05980	8.6
161.09590	1.3
162.05478	2.0
163.03859	1.8
163.07559	11.5
165.07008	6.1
165.09106	3.1
166.07748	2.0
167.08539	10.2
169.06424	1.5
174.06799	3.4
174.99239	4.7
175.03857	3.0
175.07430	2.1
176.98935	7.0
177.06842	1.7
177.09084	2.1
178.07744	3.6
179.03386	15.4
181.06377	2.7
182.07155	1.6
187.08766	1.2
188.32745	1.0
189.06664	2.3
189.09122	16.0
191.08476	1.2
192.09308	1.6
193.06444	3.4
193.10112	4.5
194.07176	1.3
195.08040	16.0
196.08739	2.5
197.05952	3.3
197.09561	1.6
201.05502	1.0
201.10234	2.7
203.08260	2.5
207.08087	1.6
207.10143	2.8
209.06009	2.2
209.09653	2.5
210.06783	5.3
211.07472	2.3
212.08246	1.8
215.08278	5.0
215.11778	1.6
220.08870	1.2
221.05994	5.1
221.09586	5.1
223.07480	6.9
224.08264	2.7
225.05357	1.6
225.08998	6.4
227.10635	16.6
229.09837	5.3
237.05138	1.3
237.09059	1.7
238.06192	3.2
239.07063	1.0
239.11665	1.3
240.07701	2.3
243.11287	1.7
249.09094	2.5
253.08611	8.3
253.12204	7.9
255.10176	15.6
257.09125	3.8
257.12817	2.7
267.10278	3.9
269.08118	2.4
269.11642	2.0
271.10678	3.4
272.10257	1.7
275.13831	2.0
281.11673	2.6
284.10297	1.4
285.11212	9.4
287.12747	20.1
287.17755	1.3
295.10757	1.3
301.14349	1.3
303.05020	1.8
303.13422	1.4
313.03531	1.1
313.08398	1.6
313.11142	5.8
313.14523	3.5
313.17477	1.3
331.04404	4.2
331.12759	44.2
332.12994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01857	2.4
58.97381	1.5
65.49178	1.3
67.05527	1.3
67.35170	1.2
68.86597	1.2
69.69377	2.6
69.69783	8.2
70.40775	1.3
79.01859	2.4
79.05484	3.5
81.07044	3.5
84.94780	1.3
91.05474	25.0
94.04198	2.2
95.04956	5.7
95.08600	2.1
97.02871	1.4
97.06477	1.9
98.98456	100.0
100.98877	2.8
103.05441	6.9
105.07008	6.3
107.04947	16.7
109.06506	3.7
109.10148	2.3
111.04427	1.7
115.05438	3.7
116.99492	4.1
117.06955	1.5
119.04939	13.4
121.06524	10.2
122.03635	4.5
123.04422	6.4
125.02336	1.3
128.06209	4.6
129.07027	10.0
131.04918	6.5
131.08525	1.4
131.65067	1.7
133.02849	2.9
133.06474	2.3
135.08038	7.2
136.05173	2.3
137.05962	57.4
139.03893	1.6
143.03366	2.1
145.06462	4.4
147.04375	2.1
148.05138	1.8
149.05969	14.2
150.06740	2.4
151.03941	3.8
151.07529	61.9
152.06207	4.5
153.01816	30.4
153.06853	1.9
154.02161	1.7
157.06459	8.5
161.05960	33.8
161.09613	8.4
163.03889	2.5
163.07526	24.2
164.08105	1.6
164.35870	1.4
165.06996	9.7
165.09135	2.8
166.07788	3.0
167.08566	12.3
174.06717	4.2
174.99200	2.0
175.03899	4.0
175.07545	3.3
176.98836	8.7
177.05476	2.0
177.08989	1.6
178.07753	4.5
179.03377	51.6
179.08533	1.5
180.03821	2.4
181.06517	3.4
181.08546	2.1
182.07260	4.5
189.09081	32.5
191.08545	1.4
193.06476	5.5
193.10150	4.9
194.07109	2.1
195.08026	15.5
197.06006	3.3
202.14359	2.3
203.08475	1.6
207.08182	3.0
207.10088	13.0
209.05922	3.6
209.07973	3.2
209.09720	2.2
210.06737	7.2
211.07469	2.6
212.08342	3.2
213.05472	1.9
221.05992	9.7
221.09520	8.1
223.07498	9.8
224.08363	2.7
225.09068	8.3
227.07092	1.9
227.10623	20.2
229.04947	4.6
237.05417	1.5
237.09058	1.7
238.06218	4.5
240.07726	3.3
241.08626	2.0
249.09062	2.8
252.07793	2.2
253.08582	10.6
253.12137	10.5
255.06332	1.8
255.10144	22.6
257.04495	3.2
267.02756	1.6
267.10156	4.1
269.08087	3.2
270.08545	1.8
272.10315	2.8
281.11655	2.9
284.10611	1.9
285.11151	15.0
287.12781	26.8
303.05081	4.8
313.03397	3.6
313.14200	9.3
316.09103	3.8
331.04645	9.4
331.11569	8.6
331.15167	3.1
331.18637	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
57.03408	1.4
65.03920	1.8
67.05479	2.1
71.70699	2.1
79.05472	4.3
81.03418	9.6
81.07044	2.8
85.06520	1.7
91.04940	2.2
91.05479	29.6
94.04185	3.6
95.04945	8.8
98.98458	100.0
100.98885	2.1
103.05464	3.8
105.07022	4.8
107.04954	14.7
109.06510	4.7
115.05443	2.9
116.99487	3.8
117.07022	1.9
119.04945	16.3
121.06490	6.3
122.03648	8.1
123.08000	1.9
127.37184	1.3
128.06198	3.6
129.07011	13.9
130.67183	1.4
131.04935	4.9
131.08578	2.9
132.99535	1.7
133.06468	2.5
135.08035	5.4
136.05193	5.2
137.05971	88.0
143.04919	3.0
145.06494	4.9
146.03642	2.0
146.07257	2.6
147.04318	2.7
147.09149	3.0
149.05956	15.7
151.03964	3.4
151.07532	95.1
152.06244	4.9
153.01820	8.4
153.06938	2.4
157.06490	13.3
158.07367	1.9
161.05969	14.4
161.09581	3.3
163.03897	2.7
163.07549	22.1
165.06970	12.0
165.09113	6.3
166.07780	2.8
167.08525	17.4
169.06433	2.5
174.06740	7.9
174.99229	3.9
175.03888	2.4
175.07457	3.7
175.08766	2.6
176.98872	7.8
177.05466	2.4
177.06970	2.7
177.09097	3.8
178.07793	6.1
179.03391	16.0
179.08504	2.9
181.06470	4.5
182.07281	4.8
183.08018	1.9
188.95340	1.7
189.07387	1.8
189.09094	37.1
191.08568	2.2
192.09338	2.1
193.06473	6.8
193.10100	8.8
195.08055	27.2
196.08749	2.6
197.05949	5.8
197.09663	2.1
202.07738	3.3
203.08618	2.6
206.07260	2.6
207.08325	2.1
207.10106	3.5
209.05916	2.3
209.09592	5.2
210.06743	10.1
211.07513	5.8
212.08408	3.7
221.05975	8.5
221.09547	13.2
223.07524	13.0
224.08322	5.3
225.05476	2.5
225.09076	11.6
227.06998	3.2
227.10634	29.6
229.08406	1.6
237.09039	3.0
238.06270	5.5
238.09935	2.7
239.07013	3.8
239.10664	2.0
240.07875	3.7
249.09138	6.4
252.07823	2.2
253.08578	18.2
253.12280	19.7
255.07474	2.3
255.10144	36.4
256.10669	2.3
267.10159	5.4
269.08023	5.1
270.08755	2.8
272.10437	4.6
281.11630	10.2
284.10217	2.4
285.11203	24.0
287.12766	47.3
299.12619	2.2
303.13345	1.8
313.14340	13.9
320.90005	1.6
331.04480	6.9
331.11990	6.6
331.15485	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	331.1537
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
55.01862	1.8
65.03931	3.2
70.00504	6.0
70.00925	3.5
72.84131	1.6
79.05479	4.4
81.07053	4.3
86.22234	1.5
91.05470	36.4
94.04187	4.5
95.04962	8.5
96.96774	1.5
98.98457	84.3
99.43047	1.5
100.98855	2.2
103.05454	4.4
105.07024	6.9
107.04964	13.0
109.06514	6.2
111.04396	2.6
115.05468	2.9
116.99486	2.5
117.07015	2.8
119.04932	22.8
119.74030	1.7
121.06472	8.1
122.03642	10.5
123.04452	2.2
128.06190	8.0
129.07014	16.0
131.04947	5.5
131.08534	1.7
133.06514	3.3
135.04483	1.7
135.08038	7.6
136.05223	3.5
137.05962	97.1
138.06296	1.7
143.04805	1.5
145.06502	5.1
146.07275	1.8
147.04428	8.5
148.05161	1.9
149.05971	15.0
151.03932	3.5
151.07527	100.0
152.06224	5.4
152.07884	2.0
153.01816	8.2
153.06979	3.8
154.07658	1.7
157.06488	15.7
161.05988	17.1
161.09601	3.5
163.03859	3.3
163.07524	28.8
165.06956	16.2
165.09119	5.4
166.07809	4.4
167.08556	20.5
169.06461	3.4
174.06709	9.4
174.99275	2.2
175.04005	2.3
175.07553	3.7
176.98952	6.0
177.05397	2.1
177.06984	2.4
177.09076	4.3
178.07767	9.3
179.03384	24.5
179.08577	2.5
181.06500	9.5
181.10109	1.9
182.07300	5.8
183.08022	2.0
186.06979	1.8
187.07603	1.8
189.09097	38.6
192.09349	2.8
193.06461	7.4
193.10161	10.4
194.07199	4.9
195.06444	3.2
195.08060	30.9
196.08823	2.9
197.05966	8.0
197.09535	2.3
199.07521	2.2
202.07848	2.5
203.08578	3.1
206.07336	3.2
207.08217	2.5
207.10184	6.1
209.05780	2.7
209.09639	3.4
210.06645	11.5
211.07536	5.1
212.08244	5.9
220.08775	3.1
221.06055	11.8
221.09575	14.7
223.07472	12.3
224.08305	6.9
225.05461	3.6
225.09088	11.3
226.06145	1.7
227.06976	4.9
227.10635	29.8
231.08031	1.9
235.07494	2.3
237.09088	3.7
238.06267	7.1
238.09818	3.0
239.07086	2.9
240.07768	4.7
241.08490	3.2
241.12219	3.2
249.09120	4.8
252.07787	2.2
253.08611	19.2
253.12148	21.3
254.09441	1.7
255.06735	2.1
255.07214	2.6
255.10139	31.5
255.12636	2.3
267.10101	7.4
269.08075	5.2
272.10501	2.8
281.11722	8.2
284.10660	1.9
285.11160	21.8
287.12766	48.6
299.12805	2.7
313.14401	13.7
331.04489	3.7
331.11737	3.2
331.15393	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	331.1173
Annotation	Odoricarpan
Peak:m/z	Relative Intensity
52.03919	0.4
53.03932	0.8
55.05503	0.6
61.29735	0.3
63.85403	0.3
65.03935	0.4
67.05479	0.5
68.99769	1.0
69.03403	0.7
69.73067	0.6
69.73479	2.2
70.70541	0.3
79.05490	2.8
81.07047	24.1
83.01329	14.7
83.04970	3.0
83.67585	0.3
89.20359	0.3
91.05469	1.5
93.07020	0.9
95.04933	0.4
97.06513	1.6
98.98456	32.9
99.08057	1.0
100.98897	0.9
103.05471	0.9
105.03341	0.4
105.07025	0.5
109.06507	7.6
111.04417	1.3
116.99478	1.3
121.06464	0.5
123.04402	1.1
125.05977	7.3
127.07549	17.4
131.04892	3.0
135.04405	0.8
137.05968	1.2
139.03947	0.4
147.04404	0.4
149.05966	5.9
151.03886	0.3
151.07452	0.6
152.04680	5.8
153.01797	1.3
153.05440	4.9
157.04881	0.6
163.03859	0.7
167.03304	0.4
167.06990	3.0
174.99266	1.3
175.03914	1.2
176.98947	2.3
177.05460	5.0
179.03412	1.7
185.04443	0.7
195.06512	100.0
196.06856	2.0
201.08957	0.4
209.08029	0.9
213.07561	37.2
214.07904	0.9
221.08116	2.8
229.08746	0.5
243.10162	0.5
247.09697	0.7
271.09723	0.7
272.10284	0.6
284.84726	0.4
289.10455	0.5
308.35345	0.4
313.10736	0.4
313.14432	0.4
331.04715	1.4
331.11719	51.2
332.12177	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	331.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.07069	1.7
67.05500	3.4
68.97585	1.2
68.99784	2.9
69.03407	2.3
69.74062	8.0
71.04994	1.3
76.23151	1.4
81.07034	2.2
83.01325	1.5
83.08601	1.2
87.04472	1.6
91.05461	6.2
95.04960	1.5
95.08556	1.8
98.20775	1.7
98.98460	100.0
99.04433	8.8
100.98882	3.1
103.05463	35.2
105.07013	7.6
107.04956	1.8
107.08600	1.8
111.04395	1.5
116.99480	2.0
117.07011	1.8
119.08622	1.4
125.05945	1.7
131.04918	80.0
131.08611	1.2
131.53694	1.1
132.05310	1.5
135.04396	2.4
139.03856	5.6
140.01077	1.3
147.04372	2.2
152.08601	1.1
153.01802	6.4
157.01315	6.2
159.04488	1.4
161.05968	1.7
169.10168	1.4
171.04373	1.4
173.06013	1.8
174.99272	2.0
175.03879	4.1
176.98911	7.1
179.03363	4.0
183.08035	1.8
185.04437	40.7
186.05205	6.2
187.07411	1.6
201.05495	2.2
211.07545	1.8
219.06589	1.4
223.66364	1.2
229.08476	1.9
243.06497	4.7
243.10210	6.2
244.07315	1.7
244.10831	3.5
247.09772	1.2
252.99992	1.2
269.11896	1.7
271.09641	26.5
271.13242	21.4
271.15894	2.2
272.10419	16.2
273.11362	1.2
289.14304	18.3
313.14484	2.1
313.21667	1.3
325.47015	1.3
331.15387	1.7
331.30331	2.0
331.33896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1172
Annotation	5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
56.60998	1.5
60.46491	1.4
66.70900	1.6
68.99790	1.8
69.03427	2.2
70.65814	6.5
71.04989	2.0
77.90318	1.7
90.89596	1.7
91.05457	7.3
98.98469	19.8
99.04462	12.4
103.05460	37.6
105.07050	9.2
111.04397	3.7
124.68562	1.7
131.04918	100.0
132.05241	2.8
139.03896	9.0
145.88458	1.7
147.76999	1.6
149.46553	1.5
153.01811	4.5
157.01334	9.1
158.75269	2.0
167.03349	2.6
176.98979	2.1
185.04425	41.7
186.05225	6.4
201.05452	2.2
243.06488	10.2
243.10144	6.7
244.10890	5.5
271.09662	35.5
272.10397	24.7
272.99332	2.4
273.56168	2.4
312.91953	1.7
331.11636	3.4
334.29694	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	331.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07225	0.4
53.03929	1.1
55.01865	1.0
55.05505	1.1
57.07060	0.8
63.82640	0.4
67.01867	1.1
67.05499	2.8
68.99783	5.7
69.03430	0.5
71.71273	0.5
72.77535	0.5
79.05471	1.0
81.03410	2.6
81.07042	2.3
85.06513	1.1
87.70007	0.4
91.05463	1.2
93.06992	0.6
94.88520	0.4
95.04946	2.0
98.98462	60.6
99.04417	0.8
100.98863	1.4
103.05463	17.5
105.07030	4.3
112.98732	0.6
113.05986	2.1
116.99497	1.8
130.99768	0.6
131.04922	59.6
132.05219	1.3
140.01080	1.1
141.05450	2.1
141.06967	0.5
145.10144	1.0
153.01831	1.4
167.03337	2.3
167.07155	0.5
173.05965	2.4
174.99196	2.0
175.03932	2.5
176.98926	4.7
179.03421	2.2
183.06535	5.8
183.08101	0.5
185.04446	100.0
186.04803	1.6
217.04991	2.8
225.05566	0.5
229.08600	2.1
243.06540	0.8
243.10098	0.5
247.09698	0.8
252.99702	0.9
253.08614	0.6
269.11731	1.6
271.09644	51.6
272.10049	1.4
299.12631	0.9
313.10730	1.3
331.04416	1.1
331.08054	0.8
331.11743	1.4
331.22427	0.7
331.26245	0.7
352.17926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
58.96133	0.2
61.19141	0.2
67.63649	0.2
69.40266	0.2
70.28053	0.4
70.28450	0.5
81.07091	0.2
84.54311	0.2
93.95075	0.2
95.08609	0.2
98.21377	0.3
98.98458	19.3
100.98893	0.5
103.43851	0.2
105.06987	0.2
107.80878	0.2
108.02102	0.2
116.99513	0.7
129.07053	0.2
131.04900	0.4
140.01106	0.3
153.01817	3.3
154.02602	0.4
174.99243	0.6
175.03964	0.5
176.98888	1.6
177.05435	0.3
178.02609	0.6
179.03395	2.1
179.07117	0.3
185.06023	0.3
186.89786	0.2
201.05458	0.2
203.03447	0.4
213.05423	0.6
214.06241	0.4
229.04915	0.6
241.04883	0.7
242.05699	4.2
253.04904	0.6
255.02643	0.2
257.04459	0.6
258.05219	5.5
259.05820	0.3
269.04388	0.9
270.05209	13.2
271.05719	0.6
271.09381	0.5
273.03946	3.2
273.06622	0.4
274.04327	0.2
285.03888	1.5
286.04700	1.9
287.05481	6.9
288.06256	0.2
298.04471	0.3
299.02328	0.2
299.05533	1.3
301.03406	3.2
302.04193	4.4
303.04617	0.3
313.03397	3.0
314.03735	0.2
315.04962	57.8
316.05640	6.8
316.09305	0.2
317.05957	0.2
331.08081	100.0
332.04620	0.2
332.08417	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	331.1021
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
55.01867	0.5
57.03427	0.4
58.58976	0.4
67.01852	1.0
67.05495	1.0
68.99787	1.4
69.03419	1.4
70.52702	0.7
70.53117	1.5
73.02928	0.4
79.01852	2.1
81.03426	0.7
81.07036	0.6
83.04986	0.5
85.02899	2.1
86.09676	0.5
92.20669	0.4
95.04954	2.4
95.08564	0.5
97.02885	1.3
98.98460	63.1
100.98884	1.7
105.03391	0.6
109.02905	0.7
116.99448	2.1
123.04408	8.6
125.02340	1.6
127.03920	3.3
133.02872	0.8
137.05957	1.1
143.03374	2.3
149.02313	0.8
151.02681	0.8
151.03902	15.4
151.07582	0.6
153.01820	35.2
154.02168	1.3
155.04922	1.2
161.02390	0.5
167.08536	0.4
169.04955	100.0
170.05280	2.4
173.05960	0.5
174.99269	1.5
175.03889	1.7
176.98906	4.5
179.03384	85.6
180.03697	2.8
183.04388	1.5
189.05496	0.6
201.05428	1.4
211.03955	0.8
213.05476	1.2
229.04939	4.8
230.05313	0.5
239.03342	1.1
241.08601	0.5
247.09679	0.5
252.99617	0.8
257.04416	3.9
258.04578	0.5
260.99887	0.6
261.03864	0.5
267.02960	1.2
275.05490	1.0
285.03922	1.8
295.02313	0.5
303.05005	3.8
313.03418	3.1
331.04489	11.1
331.12469	0.6
331.19077	0.4
332.04904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	(+)-Hydroxypisatin
Peak:m/z	Relative Intensity
51.02374	0.6
53.03938	0.7
55.01861	0.5
67.05494	1.1
68.99786	0.4
69.03437	0.3
69.97795	0.8
69.98208	0.6
77.03924	0.8
91.05468	0.6
95.04942	1.4
98.98459	12.9
105.03381	2.2
105.04507	0.3
107.04951	0.5
111.04448	0.3
116.99422	0.2
119.04918	0.5
123.04421	100.0
124.04762	1.1
127.03863	0.4
137.02321	0.6
137.05952	1.6
147.04366	0.7
149.05925	0.5
151.07539	1.6
153.01819	7.4
157.06509	0.3
159.04393	0.4
161.05968	0.5
163.03862	1.2
163.07477	0.5
165.06978	0.4
174.99205	0.5
175.03857	0.4
176.98946	1.0
179.03439	1.5
185.04463	0.4
187.03809	0.2
189.09100	0.6
195.07950	0.3
207.03020	0.3
208.03659	1.6
209.04434	34.0
210.04745	0.6
210.06599	0.3
211.07361	0.3
227.10654	0.4
253.08582	0.3
253.12143	0.3
255.10150	0.5
257.07959	0.3
267.06564	1.6
271.07211	0.4
285.07578	2.0
285.10849	0.4
286.04160	0.3
287.12704	0.5
295.06000	0.5
313.07056	4.0
331.08093	45.6
332.08438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0807
Annotation	3,8-Dimethylherbacetin
Peak:m/z	Relative Intensity
55.05476	0.3
60.18629	0.2
62.15074	0.2
65.03932	0.5
67.05484	0.6
68.99845	0.3
69.03414	0.3
70.06320	1.0
75.31100	0.3
76.08349	0.2
81.07034	0.5
83.01318	0.5
83.04977	0.6
92.02611	2.0
93.03387	1.7
93.07001	0.4
95.04960	0.3
98.20625	0.3
98.98458	28.3
100.98890	0.7
105.03369	0.3
105.06992	0.3
109.10163	0.3
111.04420	0.8
112.05237	0.3
113.18295	0.3
116.99484	1.0
121.02867	2.0
123.04388	0.5
131.04890	1.2
140.04680	2.4
151.03862	1.5
153.01845	1.6
153.05408	1.2
163.03961	0.3
166.02567	0.4
167.03383	20.6
173.64867	0.3
174.99174	1.4
175.03896	0.9
176.98953	2.2
177.05476	0.5
179.03410	2.5
183.02864	0.3
195.06490	1.6
203.07065	0.3
213.05666	0.3
213.07545	0.5
214.06282	0.6
215.06992	1.0
216.78853	0.3
217.04926	1.7
226.06137	0.3
231.06520	3.4
232.07262	1.2
233.04378	0.7
241.04921	0.5
242.05692	3.7
243.06506	5.4
245.04417	0.8
247.09682	0.4
252.99658	0.7
259.06009	3.7
260.06793	2.4
270.05325	0.3
271.06018	3.0
271.09393	0.5
274.04599	0.7
287.05457	3.6
288.06241	5.7
298.04697	0.7
299.05478	5.0
299.12735	0.4
301.03253	0.3
302.07806	0.4
315.04971	0.6
316.05759	22.8
317.06018	0.4
331.08087	100.0
332.08377	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	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36856	1.4
52.27916	1.4
53.03945	4.5
55.05505	69.7
57.03432	28.2
57.07084	7.8
65.03941	3.2
67.05499	89.4
69.07062	86.3
69.84020	8.5
71.04987	11.9
71.08635	2.4
79.05477	26.4
81.07049	100.0
83.04955	3.6
83.08614	45.0
85.06530	6.3
91.05473	12.7
93.07037	29.0
95.04912	2.3
95.08598	86.2
97.06523	11.1
97.10155	30.2
98.21449	3.1
98.98457	74.7
99.08080	4.6
105.07014	13.8
107.08570	14.8
109.06487	1.7
109.10143	39.5
111.08073	5.2
111.11710	11.9
113.09602	1.9
116.99540	2.1
119.08592	14.7
121.10140	23.2
122.99524	1.9
123.08061	3.0
123.11677	13.3
125.09604	4.0
125.13284	2.5
133.10118	14.9
135.11688	20.3
137.09592	4.4
137.13266	4.8
139.11162	5.9
141.08928	1.8
144.33838	1.6
147.11671	11.4
149.13243	6.5
151.11223	4.1
153.12715	5.1
155.10678	1.7
161.13231	7.7
163.14742	2.1
165.12827	2.2
165.82423	1.8
174.99191	6.9
175.14838	4.4
179.14342	2.3
179.25378	1.7
217.19437	6.9
235.20477	12.2
253.21680	2.8
304.15155	1.6
309.24225	8.5
327.25262	88.9
328.25729	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	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01859	1.7
55.05510	78.4
57.02424	1.3
57.03174	2.0
57.03433	30.9
57.07077	9.5
58.44436	1.2
61.61732	1.3
65.03940	2.1
67.05502	88.3
69.07065	91.6
69.83426	10.6
71.04989	12.0
71.08619	3.4
79.05051	1.6
79.05489	27.8
81.07054	100.0
82.23162	1.3
83.04961	4.1
83.08617	49.4
85.06520	8.7
85.10176	2.3
91.05476	20.1
93.07043	36.7
93.28969	1.4
95.04964	2.4
95.08603	87.4
97.06518	11.3
97.09594	2.8
97.10162	27.2
98.97837	2.3
98.98461	45.4
99.04388	1.6
99.08081	3.8
101.06004	1.6
101.57542	1.3
105.07026	12.7
107.08587	19.9
109.06530	2.7
109.10147	37.2
111.08070	7.7
111.11700	12.4
114.96359	1.5
115.07566	2.2
119.08567	11.7
121.10136	18.9
123.08042	2.4
123.11698	14.8
125.09624	3.7
125.13197	2.0
132.12628	1.3
133.10109	13.5
135.11688	23.0
137.09601	5.2
137.13252	6.7
139.11171	4.1
147.11678	11.0
148.23787	1.5
149.13211	8.7
151.11195	3.4
151.14799	3.1
153.12718	5.5
161.13263	8.7
165.12737	2.1
174.99210	5.2
175.14748	3.6
179.14305	3.2
217.19489	11.0
218.27428	1.6
235.20601	13.4
253.21642	3.3
283.30270	1.5
309.24109	8.5
327.25281	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01854	2.0
55.05515	6.8
57.03426	1.5
57.07075	2.0
65.33301	1.3
67.05497	15.7
69.03433	2.0
69.07068	8.2
69.89574	8.0
79.05495	12.7
81.07053	13.8
83.08627	2.4
85.06541	2.0
91.05474	17.7
93.07039	34.0
93.07599	2.6
95.04959	43.3
95.08602	25.7
97.06521	10.1
98.98460	100.0
105.04484	1.9
105.07031	22.9
107.08593	16.8
109.06502	4.1
109.10131	10.1
115.05437	2.8
116.99475	2.8
117.07015	7.0
118.69294	1.7
119.06018	1.3
119.08572	29.2
121.06532	9.1
121.10120	15.5
123.08063	5.8
123.11672	4.8
128.06209	2.7
129.07013	5.0
130.07803	1.8
131.08566	11.6
133.10133	19.2
135.08069	3.8
135.11685	5.0
137.09573	2.8
142.07761	6.0
143.08585	8.2
144.09386	1.8
145.06409	1.8
145.10112	17.0
147.11673	6.7
152.06200	12.2
153.07014	10.9
155.08591	3.0
156.09329	2.5
157.10144	12.4
158.10829	2.0
159.08067	2.8
159.11690	17.4
161.09572	8.1
161.13266	4.1
168.05733	4.1
169.10107	7.1
170.10872	2.0
171.11694	7.8
173.09608	1.7
173.13300	6.6
174.99217	11.1
175.14801	9.7
181.10146	2.6
183.11732	5.3
185.13226	5.4
187.11203	3.1
187.14825	5.7
192.09357	2.3
194.10962	2.3
197.13274	4.8
199.14841	5.7
209.13286	2.8
211.14871	3.7
213.16324	2.1
215.02675	2.4
219.62451	1.4
223.14758	2.1
225.16373	2.6
228.09387	3.7
233.03615	9.1
234.03902	1.7
235.14908	2.1
243.17508	1.7
251.04610	7.2
253.15891	2.0
309.22122	4.6
327.07809	38.4
327.22974	8.3
328.08167	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	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
54.98664	1.9
55.01850	3.0
55.05505	13.2
57.03435	3.2
57.07056	5.5
59.04965	1.9
65.03929	2.1
65.25664	1.9
67.05499	25.8
68.89416	1.8
69.03405	3.1
69.07060	12.6
71.04979	2.5
71.46032	4.2
75.04250	2.0
78.60768	1.8
79.05492	14.5
81.03393	4.2
81.07052	19.5
83.04937	2.9
83.08603	4.0
85.06528	3.7
91.05478	28.0
93.07037	51.3
95.04960	53.6
95.08601	38.6
96.16461	1.8
97.06526	12.3
98.98460	100.0
103.05454	3.0
105.04472	2.6
105.07021	42.8
107.08575	28.8
109.06495	6.9
109.10158	17.9
113.66216	2.7
115.05449	5.8
117.07014	12.6
119.08571	47.9
119.57322	1.8
121.06498	13.5
121.10126	19.7
123.08078	9.7
123.11697	5.5
128.06230	4.7
129.06990	7.4
130.07785	3.5
131.08563	22.7
133.10110	30.2
135.08057	10.0
135.11656	10.3
137.09555	2.7
142.07767	8.3
142.39804	1.9
143.08571	14.4
144.09344	5.9
145.06564	2.7
145.10117	26.6
147.08002	4.1
147.11734	9.9
149.09616	2.9
155.08505	6.4
156.09337	6.0
157.10117	19.3
158.10863	4.7
159.08017	4.6
159.11690	25.6
161.09650	11.1
161.13261	4.0
165.07045	2.4
167.08487	2.7
168.09250	2.6
169.10123	10.1
170.10899	3.3
171.11754	10.3
172.12469	3.7
173.13248	14.0
174.99255	9.4
175.11211	2.2
175.14789	10.1
181.10092	5.3
182.10878	2.5
183.11684	9.3
185.13228	6.8
187.11124	6.7
187.14798	11.0
193.10068	2.5
194.10922	2.4
195.11673	3.1
196.12488	2.0
197.13249	8.3
199.14774	7.4
203.14070	2.8
205.10014	1.8
205.15935	2.2
209.13191	4.9
211.14815	6.6
213.16316	2.3
215.14282	3.2
217.15872	3.5
221.13365	2.1
223.14798	4.0
225.16296	3.7
235.14764	2.7
239.17876	2.3
261.16104	2.0
270.06735	1.9
291.21082	2.1
309.22159	4.8
327.23044	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	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.01857	1.2
58.29167	0.5
59.51941	0.6
67.05501	0.8
68.70847	0.6
69.03418	0.9
70.65831	1.9
79.05469	3.2
81.07055	1.5
85.06525	0.8
91.05463	4.7
93.07030	1.2
94.04191	1.7
95.04957	1.2
98.98460	100.0
103.05459	20.0
105.07018	9.2
107.04948	6.6
109.06477	3.2
115.05449	2.3
116.99487	2.6
117.07018	4.0
119.04877	0.9
120.05751	0.7
121.06490	6.5
122.03642	7.1
122.07263	2.2
129.06982	1.3
131.04915	25.8
133.06480	34.5
134.06813	1.0
135.08035	11.2
137.05965	92.2
138.06284	2.3
140.01080	1.0
143.04929	1.4
143.08516	1.0
144.05682	0.7
145.06454	7.9
147.04356	1.0
147.08037	3.8
148.08878	0.7
149.05977	1.4
151.07544	10.6
154.07631	0.7
157.06467	2.8
158.07210	0.8
159.07944	0.7
161.05931	1.0
162.06781	0.6
163.07533	52.3
164.07874	1.7
165.06972	0.8
171.08032	1.0
174.99234	10.6
175.07561	3.7
177.09126	1.0
187.07503	1.7
189.09027	2.0
191.10625	0.7
202.07671	0.8
203.06993	1.1
203.10629	2.0
207.08073	1.0
217.09947	1.1
220.08827	0.9
225.09061	0.7
233.09711	0.7
235.11150	2.6
245.09587	1.9
248.08302	0.8
250.99907	1.6
263.10623	2.8
267.10434	1.1
285.24747	0.6
295.09888	1.1
295.13217	10.4
296.13589	0.7
327.08585	1.2
327.12152	2.6
327.15833	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	326.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92257	0.4
55.05494	1.1
56.05027	0.8
57.03424	0.6
58.06617	0.4
67.05479	1.0
68.05009	0.8
68.40611	0.4
69.07053	1.3
69.73993	3.0
76.28883	0.4
79.05486	2.7
80.05000	1.4
81.03411	0.6
81.07056	2.6
83.08612	0.5
84.04498	5.9
85.02395	0.7
85.02895	10.7
91.05445	1.4
93.07039	5.5
94.06556	1.2
94.33607	0.4
95.08575	1.2
96.04461	0.6
96.08146	0.5
98.02420	0.6
98.06063	0.6
98.98457	53.6
99.66876	0.4
102.05534	1.3
103.05468	1.4
105.07040	1.5
107.08566	3.1
108.08110	21.5
109.08901	1.1
109.10149	0.6
110.09692	2.3
114.05520	1.8
116.99475	1.5
119.08602	0.9
120.08096	0.6
122.09657	10.7
123.10442	1.7
123.11649	0.5
124.11195	0.5
130.05000	0.6
131.03371	0.7
131.04926	1.0
133.06483	2.7
133.10112	1.2
134.09621	0.9
135.08000	0.8
135.11696	5.6
136.11194	3.2
137.05974	7.2
140.01080	0.6
140.10672	0.5
142.05013	0.9
142.12248	0.5
145.06445	0.6
148.11160	0.4
150.12766	23.6
151.03929	0.5
151.07510	0.9
151.13553	8.2
152.14348	7.0
154.15955	0.4
161.13278	0.6
163.07549	2.7
168.10182	0.6
174.99194	6.1
180.10181	0.6
180.87517	0.4
190.15955	1.2
194.08318	0.4
208.09656	0.4
208.13371	1.5
210.07622	1.1
228.12325	1.5
236.16350	1.2
238.10733	1.0
240.12273	0.6
250.99957	0.9
252.12306	1.6
263.10736	0.5
264.15912	0.6
280.15399	1.0
282.16977	100.0
283.17322	0.9
284.18564	3.5
295.13177	0.5
326.19586	53.6
327.19885	0.7
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
55.05511	0.8
56.05042	0.5
57.03440	0.9
67.05497	1.5
68.05003	0.5
69.07057	1.1
69.72114	4.1
75.35954	0.5
77.22428	0.5
79.05486	1.8
80.05015	2.0
81.03405	1.7
81.07060	2.6
82.06601	0.7
84.04507	6.0
84.08136	0.6
85.02907	9.6
91.05472	1.1
93.07026	5.0
94.06561	0.8
95.08603	1.0
95.40075	0.5
98.02414	1.1
98.98463	87.6
102.05559	1.0
107.08566	2.6
108.08113	19.2
109.08889	1.0
110.09682	1.5
114.05519	1.3
116.99513	3.5
119.08581	0.8
121.14967	0.6
122.09673	9.0
123.10472	1.5
130.05022	0.7
131.03371	1.3
133.10149	0.9
134.09657	0.7
135.11684	4.3
136.07539	1.9
136.11208	3.3
137.05942	0.6
142.04984	1.2
144.68098	0.5
148.11232	0.7
150.12776	23.2
151.13567	7.5
152.14339	7.6
174.99203	9.7
178.15865	0.6
179.06955	0.5
190.15939	0.8
191.08141	1.0
192.08484	2.1
208.13359	1.5
210.07640	2.0
218.15297	0.9
228.08833	0.6
228.12396	1.5
236.16405	1.8
251.00079	2.2
252.12312	1.2
264.15997	0.6
265.01706	0.5
268.32834	0.5
280.15466	0.9
282.16992	100.0
283.17273	1.8
284.18570	1.7
308.13272	0.8
308.18503	0.8
326.19608	69.5
327.20013	1.8
336.77176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35410	1.3
53.03931	3.7
55.01851	2.6
55.05251	1.8
55.05507	34.0
57.03432	22.3
57.07053	3.8
65.03931	3.4
67.05498	100.0
69.07065	35.3
70.06107	8.2
71.04973	4.0
72.07697	1.2
72.85688	1.3
79.05487	49.8
81.07050	96.7
82.07372	2.0
83.04951	4.3
83.08167	2.3
83.08614	22.6
85.06514	4.9
91.04939	2.3
91.05471	31.8
93.06439	3.0
93.07037	56.7
95.04942	4.1
95.08596	86.6
97.06529	11.5
97.10164	9.3
103.05505	1.5
105.04513	1.6
105.07026	20.0
107.08580	32.4
109.06524	2.0
109.10143	37.7
111.08086	9.9
111.11633	1.4
117.07027	3.2
119.08572	15.4
121.10134	45.5
123.08092	2.6
123.11720	13.2
125.09633	2.9
131.08571	10.4
133.10121	26.0
135.11696	30.7
137.09590	4.0
137.13231	2.8
139.11201	3.2
145.10138	7.7
147.11652	6.6
149.13278	9.8
149.96498	1.4
151.11127	6.7
153.04524	1.7
159.11702	4.4
161.13208	1.9
163.11086	1.6
165.12733	1.6
167.14351	1.9
173.13277	5.0
187.14824	2.7
215.17940	16.4
233.18977	16.6
235.20518	5.5
237.16602	1.4
251.19995	12.4
307.22733	5.4
325.23718	56.0
326.24026	2.2
349.35556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	3.6
54.37567	1.3
55.05509	29.1
57.03438	19.9
57.07078	8.2
57.07304	2.5
62.15249	1.5
65.03905	4.4
65.18726	1.7
67.05502	100.0
68.80413	1.3
69.03360	1.3
69.07063	42.1
70.11512	7.0
71.04955	4.6
79.05488	51.4
81.07053	96.0
83.04950	3.0
83.08615	24.1
85.06500	4.0
88.02346	1.5
88.07630	2.2
91.05472	28.5
93.07042	62.1
95.04929	3.4
95.08601	88.4
97.06520	15.3
97.10165	6.7
99.08070	3.4
105.07037	13.8
107.08590	30.9
109.10144	37.5
111.08094	11.1
117.06984	2.5
119.08570	13.6
121.10140	43.5
123.08016	2.4
123.11712	15.7
125.09538	2.7
131.08543	9.2
133.09238	1.5
133.10120	22.1
135.11693	26.4
137.09644	7.2
137.13191	2.7
145.10106	9.4
147.11688	7.9
149.02238	6.4
149.13281	9.0
151.11197	7.5
153.12575	1.9
159.11572	5.5
162.69565	1.5
165.12665	1.8
173.13156	4.4
187.14734	2.0
193.04987	11.8
195.13766	2.0
205.19395	1.7
210.64017	2.4
215.17921	16.4
224.65575	1.9
226.58951	1.9
233.18983	16.9
235.20404	3.4
251.19987	11.4
307.22437	3.7
325.23416	69.2
325.76004	6.3
326.23779	3.3
326.39908	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54465	0.9
55.05494	2.0
56.05034	1.0
57.03448	0.9
67.05518	1.1
68.05023	1.4
69.07047	1.3
70.06573	1.5
70.94739	2.0
70.95107	1.9
78.86124	0.9
79.05466	2.8
80.05009	2.9
81.07045	4.4
82.06583	1.8
84.04497	13.1
84.08126	2.0
85.02415	1.1
85.02900	18.0
86.06063	7.8
88.59377	1.0
89.66806	0.9
91.05447	2.0
93.07040	7.1
95.01334	2.0
96.08101	1.1
98.06043	3.2
102.05560	10.7
107.08588	3.3
108.08110	46.9
110.09650	5.5
112.03973	1.6
113.02363	1.2
119.08562	1.0
121.10120	1.6
122.09666	3.9
123.10419	2.3
123.11687	1.6
124.11253	1.3
130.04997	84.2
133.10095	1.2
134.09641	2.6
135.11674	6.8
135.27757	0.9
137.05910	1.7
150.12779	15.8
151.13544	2.9
152.14336	100.0
153.14688	2.2
154.15894	4.7
164.40337	1.1
178.15889	3.4
186.03178	1.2
190.15971	1.2
191.03375	3.2
192.13899	1.0
193.05026	1.1
196.16972	37.2
197.17294	1.8
205.06487	1.6
216.85480	1.1
221.04370	2.3
223.02377	2.7
235.18045	3.7
236.16524	1.6
237.19556	1.5
247.02403	3.1
250.06367	1.2
264.15982	16.9
265.03491	2.1
265.08609	2.3
266.17532	1.7
281.18591	83.3
282.18884	4.1
283.20297	2.4
292.07333	1.7
293.08087	1.4
307.04382	5.8
307.09647	2.6
307.20123	1.5
308.18597	4.5
325.05722	1.7
325.21204	87.6
326.21552	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	324.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34739	0.6
51.55861	0.5
54.36903	0.6
55.05498	0.6
60.04489	1.4
70.77350	1.2
70.77705	1.4
71.04993	0.8
75.75849	0.6
79.05463	1.1
80.04985	1.0
81.07035	1.8
81.13046	0.6
83.01316	2.2
91.05476	12.1
105.03407	1.1
105.07043	1.1
106.06573	4.6
107.08504	0.7
107.31188	0.7
108.04472	6.7
115.05434	4.5
117.06977	3.3
128.06183	2.3
129.06955	2.3
131.08531	0.8
141.06941	4.6
143.08556	2.7
145.06390	0.8
150.05498	7.7
152.06200	39.4
153.06769	1.5
155.08560	1.2
157.06496	4.9
157.10107	0.9
159.08012	0.8
165.06993	31.2
166.07779	13.7
167.07076	2.2
167.08546	36.0
168.09099	1.1
169.06544	1.6
176.06206	0.9
177.06976	4.6
178.07617	1.5
179.06026	0.7
179.08514	1.6
180.09366	0.8
181.06418	1.2
181.10106	3.6
183.11581	0.8
185.09615	1.8
185.13127	0.6
187.07547	0.9
191.08420	1.0
194.07246	1.8
194.10960	0.9
195.08038	100.0
196.08424	3.9
199.11140	5.5
204.09384	0.8
209.09601	2.0
209.13310	1.1
212.10701	0.6
213.09065	2.3
219.10010	1.3
219.11806	1.2
220.09680	23.3
221.09999	0.9
222.10370	1.6
223.11153	0.8
227.10645	10.6
229.12202	1.0
230.26834	0.6
237.12720	5.0
241.12209	1.0
255.13751	2.7
265.12161	6.7
265.33664	0.6
279.37018	0.6
282.14963	3.1
283.13254	18.7
324.13043	2.5
324.15948	49.2
325.16339	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	323.2578
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03947	3.4
53.23624	2.2
55.01866	3.1
55.05507	50.2
57.03435	3.5
57.07067	10.7
59.04985	2.5
59.87923	2.2
67.05502	31.3
69.03417	5.3
69.07061	50.1
69.18119	2.1
71.04996	5.5
71.72712	2.2
79.05476	21.1
79.76744	2.2
81.03432	2.4
81.07049	100.0
83.04968	25.2
83.08607	17.8
85.06529	7.0
91.05452	15.9
93.07034	41.1
95.04975	4.3
95.08598	77.6
97.06512	15.0
97.10166	33.0
99.08083	5.7
105.07040	17.5
107.08592	37.5
109.06487	7.2
109.10137	35.5
111.08080	14.1
111.11697	8.7
115.11136	2.4
119.08576	19.7
121.06479	2.5
121.10131	30.8
123.08047	4.2
123.11694	59.4
125.09614	9.7
131.08548	4.2
133.10135	21.7
135.11702	18.5
137.09586	5.3
137.13228	14.4
139.11163	17.7
143.08588	3.0
145.10135	2.4
147.11708	11.4
147.99304	2.1
149.05954	8.7
149.09572	4.4
149.13240	21.4
151.11157	5.6
151.14774	3.2
157.12207	10.8
159.11664	5.2
161.13297	12.2
163.14803	9.2
165.12778	3.5
165.16388	2.9
173.13232	2.9
175.14822	5.2
177.16373	3.7
179.14352	2.7
181.09929	2.6
187.11128	2.5
189.16382	7.3
195.17609	2.5
203.18021	4.3
221.21552	2.4
235.16951	2.4
259.24265	5.4
269.22507	3.7
277.25229	15.6
287.23572	2.8
305.24756	29.1
323.08929	7.4
323.12683	7.0
323.22412	4.9
323.25806	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	323.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.4
51.02373	0.6
53.03947	3.6
55.05496	1.1
67.05485	1.4
69.03403	0.5
69.07051	0.9
70.06168	0.9
70.06588	1.8
77.03926	0.9
79.05473	0.5
81.03407	1.1
81.07032	1.8
83.04973	0.6
89.03918	1.1
91.05473	1.3
93.07019	1.0
95.04954	8.4
95.08590	1.6
97.10149	1.0
105.03382	100.0
106.03698	1.4
107.04927	0.6
107.08561	0.7
109.10117	0.5
109.42455	0.4
111.04418	0.5
115.05412	0.5
117.03354	3.6
118.06508	0.5
121.10178	0.5
123.11687	0.8
130.06519	7.8
131.04855	0.4
131.08513	0.6
133.10146	0.6
135.04381	0.6
135.11684	0.4
137.05986	1.5
142.06526	1.3
143.07332	0.6
145.02832	11.6
146.06020	0.8
149.05959	2.9
149.13155	0.5
160.07558	6.6
167.14960	0.4
170.05983	5.5
171.07999	0.5
177.05453	19.7
188.07126	1.4
202.08617	7.3
231.06534	1.2
245.10757	1.3
247.05949	0.6
263.11783	36.0
264.12134	1.4
273.10205	0.7
291.11255	2.6
305.10071	1.1
305.12918	1.4
306.11316	0.4
323.09439	0.5
323.13156	1.4
323.16321	1.5
323.19690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2577
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03925	2.3
55.01867	2.8
55.05505	55.7
57.07065	7.1
57.92596	1.8
61.88914	1.4
67.05498	20.9
69.03413	2.8
69.07062	44.0
71.72339	2.8
79.05484	12.7
80.45971	1.5
81.07049	59.6
83.04972	13.7
83.08614	14.4
85.06524	3.3
91.05466	10.9
93.07037	26.0
95.04929	3.8
95.08596	53.5
96.08853	1.7
97.06522	7.5
97.10161	100.0
97.41094	1.6
103.81252	1.4
105.07011	14.9
107.08589	21.7
109.06503	6.1
109.10159	23.9
111.08063	7.5
111.11705	7.4
114.30910	1.5
117.07040	1.8
119.08579	10.0
121.10143	18.7
123.08078	4.3
123.11697	46.3
124.12000	1.6
125.09611	22.8
129.06966	1.8
131.08548	2.8
133.10133	12.1
135.04399	2.7
135.11684	12.2
137.09604	2.8
137.13251	4.6
137.43536	2.0
139.11168	11.3
142.05034	1.8
143.08565	2.2
143.10637	4.3
145.10109	1.5
147.11697	6.9
149.05946	4.9
149.13252	15.9
151.07593	1.6
151.11119	2.1
153.12762	2.8
157.10114	3.6
157.12234	54.2
159.11674	4.3
161.13298	4.1
163.14815	3.7
165.12759	3.7
169.10098	2.1
173.09523	1.7
173.13344	1.6
177.12801	2.1
185.11755	1.9
186.62646	1.5
189.16386	2.9
191.18004	1.8
193.15967	2.0
203.12776	9.2
203.17902	2.5
210.48734	1.5
277.25262	6.8
287.23590	1.7
291.23203	5.0
305.24796	16.0
323.13040	3.1
323.25900	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	323.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67243	0.4
53.03939	0.7
55.01867	0.4
55.05500	1.0
57.38568	0.4
67.05487	0.5
69.03438	0.6
69.88081	1.3
69.88496	1.5
81.07058	1.0
83.04967	2.9
84.26537	0.5
85.02898	1.0
86.12281	0.4
89.03914	5.6
91.05441	0.5
95.04942	0.9
95.08591	0.7
105.03387	5.7
111.04442	2.6
117.03373	21.5
118.03699	0.5
119.08457	0.5
131.04921	0.6
134.03618	1.1
135.04399	1.7
137.05968	5.9
145.02835	57.5
146.03247	1.0
149.05978	8.9
163.03912	0.7
171.04384	0.6
177.05458	100.0
178.05824	2.3
186.05486	2.0
205.04730	0.5
217.08624	0.6
231.06522	4.4
247.06024	2.0
263.11725	1.5
278.75436	0.5
287.09039	0.5
305.10205	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	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.95070	0.5
63.28173	0.5
63.77654	0.4
64.34552	0.4
64.74426	0.5
67.05489	0.7
69.07048	1.1
79.05471	1.0
81.07046	2.6
83.01315	0.9
85.53891	0.5
91.05465	1.8
93.07035	1.0
95.04948	1.3
95.08592	0.7
96.05737	0.5
98.20691	1.4
103.05443	1.4
109.06509	0.7
113.05986	1.9
117.06989	0.8
119.08587	0.7
121.06484	0.5
123.04404	0.6
124.05215	5.8
128.06194	1.4
129.07056	0.6
131.04886	3.3
135.04402	0.9
135.08034	0.7
139.03888	3.0
139.57303	0.5
149.05974	3.0
152.03575	0.5
152.04630	2.5
156.34471	0.5
167.03387	20.4
177.05414	0.9
180.04173	4.9
181.04922	2.1
192.13437	0.4
195.06467	1.1
198.05209	4.8
201.09091	0.5
245.09535	1.0
247.07671	0.6
261.09253	0.9
262.09857	2.0
275.07169	0.5
277.12320	0.7
279.10168	1.1
280.10889	1.7
289.08658	1.7
290.09326	6.6
291.10001	1.6
291.19595	1.0
305.11667	1.1
307.09622	25.6
308.10403	36.6
309.10797	1.2
323.12753	100.0
324.13068	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	323.0758
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
53.03926	3.7
55.01858	3.4
65.03924	4.3
67.05492	6.0
68.99773	5.7
69.03414	6.4
70.50108	2.2
70.50481	4.9
74.87491	1.5
78.03764	1.5
79.05489	10.1
81.03395	3.8
81.09924	1.5
83.04958	4.0
85.02889	2.6
91.05463	5.3
93.03368	3.6
93.25172	1.3
95.04957	7.8
97.02888	23.8
99.04438	7.8
102.03758	2.2
102.24284	1.2
105.15926	1.6
107.04942	11.8
109.02863	2.7
111.00771	3.2
111.04440	15.4
112.25053	1.6
119.04938	7.1
121.02867	3.5
121.06482	2.0
123.04441	14.4
127.03924	7.9
131.04918	2.1
133.06393	1.5
135.04430	11.2
137.05977	3.3
139.03894	100.0
145.06465	2.2
147.04413	20.4
149.02338	2.5
149.06001	4.2
149.07417	9.3
150.03084	2.1
151.03891	22.9
153.01755	2.7
153.05540	2.5
153.98933	1.5
155.03372	16.8
156.03735	1.9
157.06470	2.2
159.04446	3.2
161.02151	2.5
161.05963	1.8
163.02533	1.6
163.03889	28.3
165.05449	2.6
167.03445	2.6
169.04958	2.9
173.05937	2.0
175.03880	2.9
177.05435	4.7
179.03395	12.5
181.03551	2.3
181.04955	25.6
184.05205	1.7
185.04210	2.3
185.05865	2.3
187.07544	1.8
188.04633	1.8
189.05458	3.4
191.07016	2.8
193.05003	2.0
201.05482	5.6
203.03372	2.5
203.06891	1.7
206.05739	1.9
212.04677	8.8
213.05472	5.4
215.06996	4.5
216.04164	3.0
217.04939	3.3
219.06454	1.7
231.06512	4.6
240.04146	11.2
241.04962	4.7
243.06531	11.2
245.04507	2.8
259.05969	8.9
261.07596	14.9
269.04462	38.7
277.07004	5.8
277.17899	1.5
287.05460	31.7
305.06528	12.9
323.07431	6.4
323.12228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51151	5.6
52.56057	6.0
55.06947	5.8
59.25594	7.3
70.49279	21.0
87.17671	6.2
137.64514	6.2
141.82106	6.5
155.01993	6.7
161.02936	17.2
208.55666	7.2
323.07312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0758
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
53.03949	1.4
55.01863	1.9
65.03936	2.0
67.01862	2.6
67.05505	2.1
68.99780	5.8
69.03419	2.8
71.46301	2.1
78.35159	0.8
78.95972	0.8
79.05490	3.4
81.03407	2.0
83.04990	1.6
91.05481	1.2
92.03420	0.8
93.03397	1.8
95.04964	3.8
97.02885	6.4
99.04436	2.3
107.04948	6.7
109.02869	1.7
111.00798	1.2
111.04437	4.5
117.03352	1.2
117.46255	0.8
121.02876	1.7
123.04430	7.6
127.03922	5.4
131.04823	1.0
133.02795	1.6
135.04399	10.2
137.02309	2.4
139.03888	100.0
140.04375	1.4
145.02795	1.5
147.04382	3.4
149.02342	1.2
149.05945	1.3
149.17596	0.9
149.85298	0.9
151.03905	6.7
153.01840	1.0
153.05399	1.0
155.03375	42.3
156.03729	3.7
157.06441	0.9
159.04419	0.9
163.03886	28.7
165.05502	1.2
167.03383	2.7
169.05026	1.8
171.04443	0.9
173.05972	1.2
175.03909	2.0
177.05457	1.7
179.03371	5.7
181.04932	15.8
187.07700	0.9
189.05508	1.7
193.04971	6.4
199.03760	1.3
201.05432	2.5
203.03448	2.5
212.04668	1.9
213.05428	3.1
217.04955	2.6
227.03497	1.3
231.06642	1.5
240.04227	2.8
241.05009	1.6
243.06493	3.3
245.04443	5.3
259.06000	3.0
261.07520	4.4
263.10229	2.1
269.04449	10.6
277.06985	1.9
287.05450	9.9
305.06378	6.4
320.06488	1.0
323.07336	1.5
323.12494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05503	6.5
57.03178	1.1
57.03436	14.9
67.05487	1.2
71.25073	1.2
71.25413	1.8
74.45700	0.9
79.05489	1.3
80.04999	2.0
81.07065	1.3
82.06557	1.7
84.04509	1.6
85.02396	1.9
85.02899	27.5
91.05466	3.4
93.07035	2.6
94.06561	11.2
95.04969	1.4
95.08613	1.3
96.36151	0.9
97.19939	0.8
105.07007	1.7
106.06547	2.8
107.07325	1.6
107.24425	0.9
108.08098	1.4
116.10669	0.9
117.05720	1.0
117.07008	2.4
118.06528	3.2
119.07338	1.2
119.08551	3.2
120.08092	9.0
121.08838	1.5
121.10175	1.1
122.09683	5.2
124.90948	0.9
128.06277	1.1
129.07005	1.4
130.06459	1.5
131.07283	3.2
132.08072	8.5
133.08926	0.8
134.05945	1.0
134.09651	13.5
135.10448	2.2
136.11208	7.8
138.09131	3.2
142.07787	1.0
144.08070	2.9
144.77863	0.9
145.08856	2.5
146.06021	1.2
146.09622	6.1
147.06732	1.5
147.10422	1.5
148.07556	7.2
149.05939	1.0
150.09125	4.8
157.10104	1.3
158.08484	0.8
158.09627	5.8
159.10426	2.4
160.07542	2.3
160.11221	7.6
161.08333	1.8
162.09131	4.2
164.07060	1.9
172.07510	1.0
172.11256	0.9
173.12032	1.1
174.09077	1.9
174.12775	9.6
176.10735	2.9
178.08659	5.3
183.10408	0.8
184.11235	2.2
186.09145	4.1
188.10730	6.3
190.08606	1.7
190.12320	1.1
191.13034	3.1
192.06567	4.2
192.10121	1.1
192.13788	13.4
194.08153	2.5
194.24332	1.0
202.12273	6.8
204.10213	14.4
205.07361	2.3
206.08101	17.2
206.11674	4.4
210.07768	1.0
212.14345	1.9
216.10251	2.6
216.13924	3.4
218.11650	2.2
220.13319	6.8
224.09175	5.8
229.10875	1.1
230.11751	1.6
230.15331	7.8
231.15816	1.0
232.09705	5.4
234.11223	17.3
234.13531	1.0
235.11499	1.3
240.13945	1.1
244.09645	1.4
248.12840	6.1
250.10756	15.1
252.12396	5.1
258.10501	1.0
258.14917	19.6
262.10760	22.2
263.13745	1.0
266.13885	8.4
273.09702	1.6
276.15927	34.2
277.16180	2.0
280.11777	11.3
286.14398	1.8
291.10669	2.4
304.15414	27.4
305.15894	2.1
322.16473	100.0
323.16675	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.7
55.05503	6.7
57.03423	11.9
57.87440	2.6
61.02878	3.1
67.05484	10.1
69.03419	10.8
69.07058	6.0
71.01341	3.9
71.04966	2.8
71.28535	6.0
72.36273	2.5
73.49264	2.4
79.05489	30.6
81.07047	41.2
85.02891	8.1
86.76921	2.5
91.05483	15.2
93.07031	7.1
95.01317	14.7
95.04945	10.5
97.06517	21.6
105.07024	3.6
107.04942	4.3
107.08595	6.9
109.06509	33.1
111.04424	5.8
111.08091	3.2
113.02287	5.7
117.07040	5.0
119.04929	6.4
119.08564	13.0
121.06492	7.7
123.08057	4.4
123.63266	2.5
125.06000	3.8
129.06955	3.5
131.08548	4.5
133.06459	3.0
135.08031	5.7
137.05937	5.1
139.03961	6.4
141.01831	3.4
147.08026	8.2
151.07510	3.5
153.01822	8.0
154.02113	3.4
154.15436	2.5
155.02286	4.3
155.07043	5.5
156.02562	3.5
163.07553	16.6
165.09093	20.4
167.07077	7.1
175.07536	5.3
181.08597	8.0
183.10123	4.7
191.07014	3.2
193.08609	32.0
197.04477	7.9
199.09656	18.1
209.08057	14.4
211.09616	15.3
227.09161	8.2
237.07492	8.9
255.08603	100.0
276.04684	3.4
300.42258	3.1
322.05212	38.6
323.05457	3.7
323.09036	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	322.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05008	2.4
56.96545	3.2
57.98780	0.9
58.99312	1.3
58.99583	20.8
60.05624	0.8
63.67017	0.8
68.99770	1.0
69.03403	1.8
69.12579	0.7
70.06581	3.4
71.70385	1.1
73.01144	1.4
76.02225	100.0
78.64592	0.9
80.05006	1.4
81.03400	1.3
83.04971	0.9
83.06089	1.0
84.04499	40.4
84.95986	0.9
85.02885	3.4
86.99034	3.6
88.02197	2.9
90.05550	37.3
90.06108	1.9
97.02864	2.4
98.06058	1.0
98.34494	0.9
98.97566	2.4
100.02199	1.3
107.04948	1.6
109.02865	0.9
109.29848	0.7
111.00797	1.6
111.04399	0.9
112.07574	3.4
114.03740	1.8
116.01674	26.5
116.98557	1.2
123.04410	2.0
124.02197	1.3
125.06005	0.9
127.03907	16.3
130.03314	1.2
130.05006	12.6
133.02808	1.1
136.06145	1.0
137.05956	1.3
139.03893	8.8
142.02228	1.1
142.03227	12.3
144.01131	24.0
147.04440	2.1
149.05972	1.2
151.03871	3.8
153.01845	1.6
155.03398	12.2
158.02617	1.0
158.99675	0.9
160.04265	2.4
160.09682	3.7
161.03723	1.5
163.03900	2.4
170.02734	4.1
176.03763	36.7
179.03360	5.1
187.05341	2.9
193.06413	46.6
199.05476	1.3
203.03398	2.4
215.04950	4.2
233.03685	1.9
233.05890	21.5
241.04897	0.9
257.95917	0.9
259.07480	2.8
269.04517	1.2
287.05408	5.6
322.10501	3.2
322.14627	1.3
322.18732	2.6
323.11392	0.9
340.08612	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	321.9928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95089	0.2
56.24543	0.2
56.96560	2.8
69.84696	0.2
71.70234	0.3
71.95264	0.4
72.08140	0.4
89.67730	0.2
98.97575	8.3
99.54435	0.2
116.98611	8.4
119.01919	2.4
122.97862	0.3
134.99651	7.7
137.02948	0.7
140.00218	0.4
140.98846	0.4
153.00720	1.1
158.01245	0.5
158.99866	0.5
174.97679	0.4
177.00941	14.5
178.01038	1.0
182.99777	1.9
185.23232	0.2
192.98628	0.4
195.01962	0.3
200.02527	0.4
201.00876	4.3
202.01083	0.3
205.05495	0.3
212.92220	0.3
216.98683	0.8
218.03662	0.6
219.01990	100.0
220.02095	7.0
221.02185	0.7
224.02515	0.6
230.93346	0.6
232.93002	0.8
232.96568	0.4
233.03632	0.3
234.99709	1.4
235.99901	0.4
236.99501	3.0
237.03099	0.5
238.95523	0.7
242.03590	6.9
243.03804	0.5
256.96588	7.3
257.96875	0.5
258.99786	2.9
259.99979	0.6
260.04669	0.6
261.02957	2.3
262.95471	0.4
263.03049	0.4
265.05225	0.6
265.69183	0.3
272.91779	0.2
272.94235	1.6
273.94476	0.3
274.94113	2.9
274.97662	3.4
276.97818	0.4
277.00858	4.0
277.03741	0.5
278.01117	1.1
279.00671	0.6
279.95407	0.3
279.98209	1.5
280.96463	1.3
283.00104	0.3
288.92111	0.5
290.95459	0.9
292.95184	2.0
297.99301	0.6
298.18607	0.4
298.97650	31.7
299.05142	1.2
299.18781	0.7
299.97687	2.3
301.00980	0.6
303.98178	0.3
316.95184	1.6
316.98782	1.0
317.95068	0.4
321.99234	4.5
322.99524	0.4
325.92734	0.3
328.44135	0.4
330.93619	0.4
334.92758	0.3
334.96915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63965	1.7
57.07074	1.6
58.83378	1.6
60.04514	2.3
61.01132	5.0
67.05512	2.0
72.04510	16.9
78.03790	10.0
80.91481	1.4
85.95782	1.3
88.02186	3.2
91.05391	2.0
95.04961	2.7
99.05550	5.9
102.03745	9.8
103.01491	2.0
103.02161	31.3
113.05972	2.2
113.54579	1.7
114.03737	6.7
114.05516	40.0
118.33398	1.3
120.04787	23.8
124.07571	2.6
131.06325	3.1
132.04765	10.6
139.03903	2.6
142.08614	4.8
143.03383	2.0
149.07428	16.1
153.01805	9.4
155.03398	1.9
159.05818	8.9
174.05812	4.9
175.05327	2.3
191.08473	100.0
201.07121	1.8
236.60825	1.5
239.32669	1.6
261.12772	1.7
275.05380	1.8
300.77090	1.6
303.13718	32.2
312.68304	1.6
321.04980	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	321.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95210	0.4
63.42891	0.4
70.83545	1.5
95.06084	0.5
97.02896	0.4
101.00902	0.6
111.05526	0.7
119.01919	3.1
123.05530	0.5
131.01944	0.7
133.03438	0.8
141.06573	0.9
159.06322	0.5
159.07648	0.8
160.09650	0.7
161.03006	0.5
168.99873	0.5
173.02914	0.7
180.55533	0.4
187.00958	0.9
198.35051	0.5
205.02017	0.5
215.00360	0.7
223.32855	0.4
233.05109	0.6
247.02901	1.0
321.11572	100.0
322.11841	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	319.0996
Annotation	PHENOLPHTHALEIN
Peak:m/z	Relative Intensity
53.01194	0.5
53.74198	0.5
70.63673	2.4
73.55539	0.5
97.80309	0.7
124.70570	0.7
131.75066	0.6
133.10478	0.6
152.11256	0.6
157.04736	2.1
157.23094	0.6
168.15384	0.6
185.04243	0.8
187.04547	1.2
245.06352	1.5
301.08871	8.6
319.09998	100.0
320.10349	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.4
56.96556	15.2
57.03418	3.2
61.02915	5.8
61.56706	1.5
69.03420	4.3
70.57584	1.4
70.87640	3.9
70.98125	1.5
73.02908	2.8
81.03406	2.0
84.96037	2.0
85.02903	7.4
94.71259	1.5
97.02897	4.7
98.97581	11.7
101.00860	2.4
110.07209	2.0
110.97570	2.8
112.99167	1.9
115.02418	2.3
116.98606	5.3
117.68385	1.6
119.01894	8.6
126.02589	1.5
127.03886	2.5
128.02344	2.4
128.98601	4.0
131.00157	3.3
131.01830	3.5
133.01698	1.6
133.03455	9.5
137.02762	2.0
143.00154	1.8
143.01878	2.5
145.03464	2.7
146.99638	6.1
147.01418	1.8
149.01175	2.2
149.02977	3.3
153.01877	4.4
157.03506	2.3
157.04723	1.6
158.99644	3.1
159.05066	2.1
161.01166	2.5
161.02911	5.9
165.00700	2.1
167.99881	1.5
173.02934	3.3
175.02956	2.6
175.04544	3.8
177.00673	2.6
187.04430	2.2
189.00726	3.0
191.04005	2.2
201.00690	2.7
201.96716	1.6
203.03989	2.3
219.01785	4.9
220.04247	2.1
221.05052	4.3
237.02975	3.4
237.58232	1.8
245.05334	1.7
251.04393	1.9
259.06665	4.8
263.85709	1.5
287.02426	2.3
301.08975	9.4
318.60950	4.0
319.04346	3.1
319.10022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0446
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
50.73286	0.2
50.85097	0.2
51.66765	0.2
55.01868	0.6
58.28262	0.2
65.03931	0.4
67.01860	0.5
68.99786	3.4
69.03426	0.3
70.67982	0.4
70.68342	0.5
81.03411	0.6
88.15528	0.3
93.03392	0.6
97.02872	0.6
105.07032	0.3
107.01315	0.2
107.04935	0.4
109.02863	2.4
111.00792	4.5
111.04442	0.7
115.05439	0.5
117.07043	0.3
121.02859	0.4
121.06490	0.5
125.02347	0.8
125.76857	0.3
126.03150	0.5
127.03928	0.6
133.02838	0.4
133.06445	0.5
137.02336	4.4
139.03886	0.9
143.03366	0.6
143.67973	0.2
147.04355	0.6
151.03893	0.2
153.01816	21.7
161.02277	0.4
161.05986	0.5
165.01828	6.1
166.02599	0.8
171.03012	0.2
171.04427	0.9
173.06032	0.3
177.05469	0.7
179.03374	3.0
183.02879	2.0
189.05434	2.0
193.01358	0.5
194.02106	0.4
195.02837	1.4
199.03912	1.1
203.03349	1.7
207.02859	0.7
208.03615	0.2
217.04951	8.2
219.02876	0.5
221.04443	0.8
227.03421	1.0
229.04964	0.4
231.02827	0.8
232.03694	0.4
233.04445	0.5
235.02374	0.3
235.05994	0.8
244.03653	0.7
245.04428	9.5
246.04803	0.3
255.02953	1.1
259.02359	0.3
263.05536	1.3
272.03146	0.4
273.03925	8.8
283.02087	0.3
290.04227	2.0
291.05032	0.5
301.03445	2.1
311.37537	0.3
319.04462	100.0
320.04791	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0444
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01854	0.4
65.03928	0.8
67.01862	0.5
68.99783	3.6
69.03438	0.4
69.05101	0.3
69.57913	0.5
69.58335	1.9
81.03400	0.6
93.03414	0.4
102.52267	0.3
105.07021	0.3
109.02875	2.5
111.00789	4.8
111.04436	0.5
115.05444	0.6
121.02862	0.5
121.06491	0.6
123.04422	0.4
125.02336	0.6
126.03110	0.6
127.03883	1.0
128.16194	0.3
133.02812	0.5
133.06442	0.4
137.02312	4.2
139.03873	1.0
143.03384	0.5
147.04396	0.5
149.02342	0.4
153.01811	23.4
153.05396	0.6
161.02330	0.3
161.06024	0.9
165.01831	6.3
166.02603	1.3
171.04375	0.7
175.03888	0.5
177.05507	1.0
179.03366	2.5
181.01363	0.3
181.02994	0.3
183.02864	1.7
189.05440	2.2
191.03407	0.4
193.01337	0.6
193.04997	0.4
194.02161	0.4
195.02869	1.6
199.03934	0.9
203.03342	1.7
207.02835	0.7
208.03555	0.3
217.04964	8.7
219.02910	0.6
221.04507	0.8
227.03313	0.7
229.04968	0.4
231.02887	0.6
232.03719	0.5
235.02365	0.7
235.05936	0.4
244.03732	0.6
245.04433	10.9
246.04680	0.3
255.02844	1.0
263.05472	1.1
273.03928	8.8
273.06946	0.4
290.04263	1.6
291.04733	0.5
301.03476	1.9
319.04459	100.0
320.04834	2.5
339.18002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0443
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01856	0.5
61.91687	0.2
65.03930	0.7
67.01863	0.4
68.99422	0.3
68.99785	4.8
69.03417	0.5
70.95052	0.9
79.01837	0.4
81.03410	0.6
89.85914	0.2
93.03374	0.6
97.02892	0.5
103.34244	0.2
105.06991	0.4
107.01350	0.3
109.02864	2.3
111.00796	4.5
111.04440	0.7
121.02847	0.6
121.06474	0.5
125.02351	0.7
126.03110	0.4
127.03889	0.8
132.97711	0.2
133.02847	0.5
133.06406	0.3
135.04198	0.3
137.02318	4.2
139.03902	0.5
143.03410	0.4
147.04385	0.9
149.02383	0.4
153.01819	24.1
154.02115	0.4
161.02362	0.3
161.05980	0.7
165.01822	6.6
166.02576	1.2
171.04425	1.0
175.03894	0.7
177.05394	0.8
179.03389	2.6
183.02869	2.1
187.03842	0.3
189.05470	2.1
191.03452	0.3
193.01300	0.8
195.02908	1.6
199.03844	0.7
203.03409	1.5
207.02884	1.0
208.03651	0.3
216.04214	0.5
217.04941	9.8
219.02895	0.6
221.04466	0.8
227.03354	1.1
229.04948	0.6
231.02884	0.6
232.03627	0.7
235.02377	0.4
235.05943	0.8
239.01872	0.2
244.03665	1.0
245.04433	9.8
255.02899	1.2
263.05475	0.6
272.03113	0.5
273.03909	7.4
290.04126	2.2
301.03433	1.5
302.61176	0.3
319.04459	100.0
320.04770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0444
Annotation	5'-Hydroxymorin
Peak:m/z	Relative Intensity
55.01859	0.7
56.23148	0.2
65.03928	0.9
67.01849	0.8
68.99782	5.8
69.03416	0.6
70.82953	0.2
71.16170	0.4
71.16496	0.2
79.01846	0.7
81.03398	1.1
93.03396	0.6
93.20965	0.2
95.01314	0.3
97.02869	0.7
104.28102	0.2
105.03407	0.3
105.07015	0.3
107.04929	0.2
109.02864	3.6
111.00787	6.5
111.01508	0.4
111.04420	1.2
115.05452	0.5
119.04926	0.2
121.02842	0.7
121.06482	0.8
123.04382	0.3
125.02335	0.9
126.03136	0.7
127.03928	1.1
133.02841	0.7
133.06476	0.6
135.04427	0.2
137.02322	5.9
139.03923	1.1
143.03394	0.5
147.03320	0.2
147.04330	1.2
149.02354	0.5
149.05960	0.3
153.01808	34.3
153.05403	0.6
159.04321	0.3
161.02342	0.7
161.05988	1.4
163.03957	0.5
165.01820	9.1
166.02599	1.6
171.04381	1.1
175.03915	0.7
177.05431	1.4
179.03375	4.7
183.02890	3.1
189.05452	4.0
193.01312	0.7
193.04973	0.6
195.02856	2.3
199.03868	1.2
201.05516	0.3
203.03403	2.2
207.02841	1.7
208.03537	0.4
209.04544	0.3
216.04248	0.5
217.04935	12.3
219.02888	0.9
221.04439	0.9
227.03348	1.6
229.04955	0.9
231.02867	1.2
232.03696	0.4
233.04367	0.5
235.02470	0.8
235.06010	0.7
239.01776	0.3
244.03693	1.0
245.04431	14.4
249.04091	0.2
255.02890	2.0
259.02240	0.3
263.05527	1.8
272.03183	0.4
273.03903	12.6
290.04172	3.5
291.04950	0.5
301.03397	2.6
319.04446	100.0
320.04709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0444
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01857	0.3
65.03930	0.5
67.01854	0.5
68.99789	3.7
69.03413	0.4
70.40746	0.7
70.41419	0.2
71.01349	0.2
79.01839	0.4
79.05491	0.2
81.03409	0.8
81.07042	0.2
83.04952	0.2
85.02888	0.3
93.03383	0.4
95.08556	0.2
97.02888	0.6
103.05465	0.3
105.03375	0.4
105.07029	0.3
108.95836	0.2
109.02866	2.1
111.00804	4.9
111.04462	1.0
114.63770	0.2
115.05456	0.5
117.07018	0.3
120.08054	0.2
121.02877	0.6
121.06483	0.6
123.04436	0.3
125.02332	0.7
126.03104	0.6
127.03906	1.0
133.02835	0.7
133.06491	0.3
137.02328	4.4
138.09142	0.2
139.03914	1.3
139.09514	0.3
143.03415	0.4
146.05940	0.2
147.04398	0.7
149.02330	0.4
151.03880	0.5
153.01817	23.4
153.05383	0.4
154.02139	0.3
156.10185	0.8
157.10576	1.1
161.02367	0.4
161.05997	1.1
165.01830	5.7
166.02644	1.0
167.03380	0.2
171.02977	0.4
171.04451	0.8
175.03868	0.5
177.05417	1.0
179.03377	2.6
183.02914	2.0
188.04617	0.2
189.01878	0.3
189.05455	2.1
191.03406	0.3
193.01398	0.5
193.05011	0.3
195.02866	1.3
199.03914	1.2
203.03386	1.2
207.02873	0.9
207.06696	0.2
209.04553	0.2
216.04192	0.3
217.04958	7.7
218.05251	0.3
219.02913	0.8
221.04404	0.7
227.03462	0.9
229.04967	0.6
231.02907	0.6
232.03662	0.4
233.04239	0.2
235.02388	0.6
235.05988	0.4
239.01680	0.2
244.03477	0.8
245.04446	9.6
246.04858	0.3
249.03815	0.2
255.02910	1.2
262.04596	0.3
263.05423	1.0
273.03922	8.2
274.04367	0.2
279.26852	0.2
283.02374	0.4
283.10986	0.2
290.04193	2.2
291.05014	0.4
301.03351	2.2
301.11719	0.8
319.04468	100.0
320.04776	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33546	0.3
54.13567	0.4
55.01856	0.4
55.05506	0.9
57.03424	1.3
57.34652	0.3
61.02908	1.7
61.72481	0.4
67.05491	0.8
68.05001	0.6
68.99772	0.6
69.03426	3.3
69.07046	1.0
69.66296	0.4
70.06573	0.7
71.04980	0.7
71.70793	0.6
72.08115	0.5
73.02912	0.6
79.05482	1.0
79.80396	0.4
81.03397	1.4
81.07045	0.5
82.02924	0.7
82.06564	0.6
83.04983	0.5
83.08585	0.4
84.22311	0.5
85.02905	6.4
87.04478	0.6
91.03947	0.6
91.05460	0.8
93.07027	1.5
94.06554	0.5
95.08596	1.7
96.04494	3.2
96.08137	2.3
97.02873	3.5
97.05251	2.2
97.06502	1.8
100.07610	1.3
109.02866	0.7
109.06504	0.8
110.06034	5.7
110.09654	3.3
111.00769	0.7
111.08074	1.1
119.45387	0.4
120.08140	1.2
121.06500	1.2
125.08370	0.8
126.09147	8.3
127.03905	1.6
138.09125	19.6
139.03894	0.7
139.07475	1.4
140.03398	1.3
145.04932	1.5
152.10689	0.6
153.01802	3.5
156.10188	100.0
157.10597	2.2
163.03899	0.6
165.01834	0.9
168.10222	1.3
180.10121	0.6
189.05550	0.5
198.11272	0.9
199.08325	0.4
202.01619	0.8
207.02821	0.5
214.10492	0.4
216.03604	0.5
217.04970	0.7
222.11209	0.6
245.04564	1.0
258.04117	0.5
272.02710	1.0
273.04044	1.2
287.10187	0.6
288.10577	5.1
300.10413	0.4
301.03323	0.7
301.11804	1.0
318.03397	0.5
318.11548	1.3
318.15509	2.0
319.04471	12.8
319.12482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.30111	1.6
55.01843	3.6
55.05500	19.2
57.03429	2.9
57.07068	8.5
57.27908	1.7
59.04981	5.2
60.04522	26.4
61.04850	4.0
65.03922	7.5
67.05153	3.6
67.05502	64.3
69.03411	3.6
69.07047	7.7
70.06577	4.6
70.99904	2.2
71.00244	3.8
71.04989	3.1
72.05307	1.9
78.77587	1.9
79.05491	12.1
81.03370	2.1
81.07054	27.9
83.04977	9.8
85.06549	2.8
88.07620	5.8
91.04942	2.4
91.05476	32.8
93.07042	17.4
95.04967	23.8
95.08604	23.6
97.06501	6.2
99.43152	1.6
102.09165	3.6
103.05459	3.4
105.07028	24.4
107.04912	2.7
107.07931	3.4
107.08585	44.0
109.06514	19.4
109.10149	100.0
111.03670	3.0
111.04435	52.1
111.08047	2.2
117.07022	5.2
119.04933	20.8
119.08575	51.9
120.05270	1.8
120.21859	2.0
121.06481	4.6
121.10146	4.7
123.08038	15.2
125.06008	4.1
129.06963	2.1
131.04904	10.5
131.08530	5.6
133.06482	3.1
133.10117	9.0
135.04396	9.3
135.08055	10.4
135.11702	2.5
137.05986	2.7
137.09605	78.0
139.07474	2.0
142.07710	3.1
143.08507	4.1
145.10094	5.7
147.04399	57.9
147.08015	4.6
147.11639	4.0
148.04720	2.8
149.09590	5.1
151.06374	3.4
151.07532	42.5
153.05452	17.8
155.08531	2.7
156.09399	3.4
157.10158	3.4
159.08023	3.0
159.11632	5.2
161.09566	8.1
163.03915	6.5
163.11166	5.0
165.09061	4.1
167.07047	6.6
169.10066	3.4
171.11656	5.2
173.09679	3.0
173.13185	3.7
175.07578	4.2
177.09039	2.8
181.08542	5.3
181.10023	2.0
182.10963	1.9
183.11633	5.1
185.13266	2.2
189.12744	15.1
194.09818	2.5
195.06491	5.2
199.11029	3.0
201.09108	2.4
201.12721	2.3
207.13768	18.8
211.07581	2.7
215.14276	2.8
217.12279	2.4
221.15404	1.8
223.14787	1.8
225.12706	4.6
230.19557	1.8
233.15242	2.4
237.14824	5.9
239.10783	2.3
243.13779	8.9
256.26364	6.9
257.15259	5.8
261.14719	3.7
281.26706	2.4
299.12701	2.6
299.16794	1.9
299.19934	8.8
299.27646	4.0
317.03033	3.6
317.06516	11.8
317.21069	67.0
317.28680	13.5
318.30014	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	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.05511	9.9
57.03428	1.6
67.01862	5.5
67.05488	7.2
69.03423	2.5
69.07067	19.1
70.07923	8.2
74.58895	1.3
79.05479	6.2
79.27649	1.4
79.54451	1.5
81.07051	15.0
83.04961	3.7
83.08627	7.6
91.05447	9.0
93.07028	7.7
95.04948	3.5
95.08592	15.4
97.02895	2.0
97.10149	2.7
98.20834	2.1
105.07011	13.6
107.04942	36.5
107.08595	10.1
107.95326	1.3
109.06556	2.5
109.10148	19.8
111.04462	2.8
111.07279	1.5
111.11724	2.7
113.75345	1.5
117.07011	4.7
119.04939	2.5
119.08601	9.5
121.06505	5.6
121.10114	11.7
123.04356	1.8
123.08083	1.9
123.11670	4.7
128.06299	1.7
129.07057	2.5
131.08557	5.0
133.06458	4.6
133.10098	6.8
135.04404	91.6
135.08069	4.6
135.11713	3.0
136.04779	1.7
137.05923	6.8
137.09700	1.8
141.06944	2.2
143.08557	3.6
145.06490	6.4
145.10124	6.2
147.04347	3.4
147.08083	3.6
147.11682	4.9
149.06004	7.5
151.07457	2.1
153.05461	15.3
154.91174	1.5
155.08539	4.7
157.06497	2.3
157.10120	3.5
158.07246	2.9
159.04440	2.1
159.07999	7.0
159.11642	2.8
161.05986	17.0
161.09595	5.1
161.13298	2.2
163.03885	96.1
163.07547	3.7
167.08559	2.1
169.10130	4.5
171.08049	3.2
173.05981	14.7
173.09570	6.9
173.13275	1.8
175.07529	24.2
177.05453	3.9
177.09106	4.9
183.08037	2.9
183.11670	2.6
185.13118	1.5
186.06807	2.5
187.07530	23.0
187.11182	3.4
188.08278	1.6
189.05443	4.8
189.09103	11.6
193.08549	1.6
195.06528	43.2
197.09656	3.1
197.13275	5.9
199.07547	2.7
199.11147	3.0
199.14740	1.6
201.05476	5.8
201.09093	25.6
203.07019	6.2
203.10625	3.0
207.06445	1.4
211.07484	1.7
211.14809	4.9
214.09857	4.7
215.07037	12.1
215.10699	5.8
215.14346	3.1
217.08603	4.2
219.06483	1.9
221.08131	5.8
224.11914	1.9
225.12820	5.7
227.10655	2.4
229.08565	12.2
229.15947	3.0
233.08028	6.1
235.09607	4.0
239.14221	10.0
242.13007	3.9
243.13913	4.1
247.09647	10.8
249.11127	2.9
257.15353	100.0
258.15594	3.4
261.11151	7.7
264.23267	1.4
267.13779	9.5
285.14844	55.4
286.15250	2.4
299.16388	4.7
299.19904	3.0
317.03091	3.1
317.06442	14.6
317.17459	26.2
317.21072	4.6
317.24637	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	317.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11845	1.9
55.05494	8.3
57.07061	3.1
60.04523	3.7
66.86401	2.0
67.01868	3.9
67.05499	13.9
69.03403	4.7
69.07064	25.1
70.03533	10.7
70.06602	2.0
79.05481	10.4
81.07050	83.3
83.08602	3.7
91.05464	9.1
93.07048	10.0
95.04934	4.0
95.08609	16.4
98.20773	2.3
105.07011	11.1
105.33232	2.0
107.04945	20.2
107.08604	9.5
109.06484	5.0
109.10155	25.5
111.11717	7.3
112.78761	1.9
117.06998	3.2
119.04889	2.2
119.08573	6.3
121.06485	9.0
121.10131	6.5
123.04399	4.5
123.11700	3.0
129.07051	3.3
131.04929	1.9
131.08569	4.9
133.06471	3.0
133.10152	5.8
135.04413	54.7
135.08038	3.8
135.11670	2.9
137.05948	8.0
137.09605	3.6
141.06964	2.6
143.08582	2.8
145.06444	4.5
145.10123	6.5
145.23555	1.9
147.04387	7.6
147.08000	4.8
147.11630	2.8
149.06003	13.6
151.07475	2.6
153.05437	11.2
155.08534	5.8
157.10097	3.0
158.07237	7.0
159.08043	7.1
161.05963	20.1
163.03899	64.9
163.07520	4.9
169.10104	3.4
171.08121	2.6
173.05980	9.8
173.09648	7.9
175.07532	12.0
177.05443	10.3
177.09068	12.1
183.07991	2.2
185.09520	3.1
187.07565	17.9
187.11151	4.1
189.05519	2.3
189.09097	8.5
195.06500	28.7
197.09613	3.3
201.05490	2.3
201.09096	52.3
203.06984	4.7
207.06517	3.3
209.08044	3.5
211.14742	4.1
212.23798	3.0
215.06985	13.4
215.10646	9.4
219.06514	8.8
221.08093	4.3
223.09692	2.2
227.10599	2.8
229.08563	30.4
229.15936	3.5
233.08095	6.8
239.14221	5.4
242.13049	5.7
243.06694	2.2
243.09985	2.6
243.14037	2.3
247.09665	6.6
255.24216	6.7
256.22733	7.5
257.15341	100.0
258.15659	3.2
261.11285	16.1
274.27554	3.5
285.14853	43.6
289.03317	3.6
299.20132	3.0
302.04349	2.3
317.02899	6.8
317.06546	22.1
317.17441	16.7
317.21109	9.6
317.28748	3.6
317.32455	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	317.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54028	0.8
54.31349	0.7
55.05501	3.8
57.07067	1.2
60.04523	16.8
61.04847	2.6
67.01859	3.5
67.05496	8.2
69.03397	1.0
69.07068	6.7
70.74220	2.7
79.05493	3.1
81.07054	4.9
83.08612	1.5
91.05463	2.9
93.07027	3.7
95.04951	1.3
95.08604	5.6
105.07019	3.6
107.04945	28.9
107.08595	5.0
109.06519	2.0
109.10149	17.3
110.10480	1.1
111.11677	1.7
119.08606	4.8
121.06525	1.3
121.10160	4.3
123.08043	1.8
123.11720	3.9
131.08565	2.0
133.06491	1.0
133.10130	1.7
135.04405	96.9
135.11670	1.1
136.04742	2.1
137.05954	4.8
137.09615	7.4
145.10069	1.7
147.04405	5.2
149.05991	2.7
151.07556	3.9
153.05449	10.4
159.08076	2.2
159.11668	1.0
161.05968	3.4
161.09702	1.2
162.65584	0.8
163.03893	100.0
164.04279	1.9
165.05440	1.3
173.05983	3.2
173.13347	1.0
175.07542	4.4
177.05466	1.3
177.09019	1.0
187.07503	5.0
189.05482	1.1
189.12746	1.6
195.06520	46.2
201.09056	5.5
203.07065	1.4
207.06512	1.9
207.13818	1.7
215.07063	4.8
215.10663	1.5
221.08081	1.6
229.08603	2.9
233.08134	2.4
247.09621	4.4
256.26407	1.5
257.15347	36.4
258.15692	1.6
261.11316	1.8
281.26691	2.0
285.14865	15.3
299.20102	1.4
299.27902	1.5
317.02530	0.9
317.06406	1.3
317.17404	5.2
317.21124	6.6
317.28839	7.9
318.30115	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	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05504	5.7
65.03942	2.1
67.01884	2.0
67.05506	11.5
69.03413	2.3
69.07058	14.8
73.49151	1.9
79.05480	12.9
81.07050	100.0
83.01323	7.1
83.04980	5.4
83.08618	3.5
88.64630	2.1
91.05470	9.7
93.07045	10.0
95.04945	4.8
95.08616	10.0
95.09109	2.5
97.02857	2.2
97.06513	2.0
103.05489	2.3
105.03377	11.5
105.07029	12.0
107.04947	13.4
107.08587	8.9
109.06493	4.9
109.10149	21.4
111.04436	4.8
112.85290	2.0
119.08568	10.7
121.02882	2.3
121.06505	10.4
121.10155	5.7
123.04393	3.5
123.08028	2.1
123.11716	2.9
127.07510	6.9
129.06886	2.5
131.04922	6.5
131.08562	4.4
133.06483	3.9
133.10101	6.9
135.04410	26.3
135.08000	4.1
135.11707	5.6
135.19894	1.7
137.05952	4.5
137.09608	5.3
139.03830	2.4
143.08568	3.0
145.06436	3.0
145.10109	10.9
147.04375	5.3
149.05975	13.2
149.09602	2.0
149.54855	1.8
151.07620	2.1
152.04642	2.2
153.01782	2.1
153.05458	4.7
155.08510	4.0
157.10153	2.3
158.07230	4.2
159.08043	5.9
161.06010	5.7
161.09587	3.3
161.13234	2.1
163.03886	24.9
163.07564	6.5
167.03398	2.7
167.06984	2.7
169.10185	3.8
171.08023	2.8
173.06006	5.7
173.09665	8.5
175.07590	9.4
177.05484	8.4
177.09111	17.9
179.03340	2.3
182.01971	2.8
183.08130	2.9
187.07565	10.9
189.09132	2.7
191.03276	2.2
195.06497	33.2
195.08192	3.0
197.04483	18.4
197.09590	3.4
201.09105	48.4
203.06920	3.5
205.05029	2.4
211.14764	4.2
213.07582	11.3
214.09973	2.3
215.07007	8.3
215.10727	7.5
219.06567	2.8
227.10625	3.7
229.08586	31.2
229.15805	2.3
233.04472	2.4
233.08049	5.5
239.14192	2.5
242.13002	6.2
243.10152	4.0
247.09636	4.7
257.15356	80.9
258.15744	2.0
261.03952	2.0
261.11243	16.9
267.13696	2.2
285.14835	34.4
299.12747	29.4
300.13004	4.0
317.02875	13.7
317.06546	14.3
317.17429	11.6
317.21146	8.6
317.24542	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	317.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90391	1.0
55.01868	2.1
55.05498	2.7
57.03428	2.2
60.91442	1.1
67.01891	1.1
67.05488	4.8
69.03392	1.4
69.07064	6.1
71.72860	1.6
71.73229	1.9
72.11303	1.1
79.05461	3.6
81.07043	10.8
82.86753	1.4
85.02879	2.9
90.15791	1.1
90.81715	1.2
91.00880	1.1
91.05464	3.3
93.07024	4.9
95.04970	2.5
95.08562	5.5
97.06487	2.3
103.05437	1.4
105.07017	13.7
107.04941	2.7
107.08585	3.5
109.06503	1.9
109.10123	4.6
111.04420	1.9
115.03904	4.6
116.57652	1.1
117.06967	1.8
119.08554	7.1
121.10104	1.9
125.20911	1.4
129.06996	2.2
131.04907	3.4
131.08553	13.9
133.10126	2.5
135.04396	6.2
135.08029	2.0
137.09583	1.7
139.07552	1.3
141.06947	2.8
143.08562	7.8
145.06638	1.1
145.10126	3.6
147.04480	1.7
147.08052	2.7
147.11639	1.7
149.09694	1.5
154.07762	2.7
155.08533	24.2
156.09326	1.9
157.10144	3.6
159.08029	1.2
159.11659	2.2
163.03912	6.4
167.07100	1.2
167.08542	2.8
169.10123	32.5
170.10892	1.7
171.08049	1.8
171.11691	1.4
173.05896	1.7
174.06322	1.7
179.08531	4.0
180.09270	1.3
181.10097	6.8
182.10873	2.8
183.08122	2.1
183.11678	32.0
185.08139	2.2
185.13182	4.4
191.08551	2.2
192.09309	2.4
193.10051	4.1
195.06474	5.0
195.11664	2.6
196.12502	5.7
197.09631	3.7
197.13235	5.3
199.07408	1.5
199.11319	1.3
201.09151	1.9
206.10872	5.4
207.11621	1.6
211.07520	1.6
211.14803	18.8
215.14250	1.7
221.13252	18.2
221.53644	1.3
225.12758	2.1
227.10683	1.2
239.14284	83.1
240.14684	2.4
243.14005	1.4
249.12653	7.6
257.15335	6.4
267.13773	100.0
268.14246	1.8
281.08167	1.1
285.14850	16.9
299.16492	15.4
299.19778	1.8
312.56793	1.3
317.02856	6.8
317.06531	7.5
317.09854	1.2
317.17233	3.4
317.20447	1.8
317.22940	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	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37950	0.8
55.05499	6.1
58.24010	0.8
67.01850	5.2
67.05497	5.8
69.03407	1.8
69.07052	6.8
72.92288	0.9
75.24503	0.8
75.72207	0.9
79.05482	4.2
81.06610	1.5
81.07052	19.2
83.08609	4.5
91.05466	4.1
93.07030	5.3
95.04940	2.0
95.08590	7.7
97.10154	3.6
103.05454	1.5
105.03398	1.0
105.06992	3.5
107.04944	31.1
107.08585	4.9
109.06454	2.3
109.10143	14.0
117.06982	1.4
119.04925	1.2
119.08566	2.5
121.06504	4.3
121.10136	6.2
121.30949	0.9
123.04375	0.9
123.11734	1.8
131.04921	2.2
131.08545	2.7
132.05217	0.9
133.06487	2.6
133.10141	1.5
135.04405	99.9
135.07974	1.9
135.11661	2.2
136.04747	1.7
137.05951	4.1
141.07062	1.2
143.08591	2.0
145.06496	2.7
145.10104	3.4
147.04355	3.1
147.08038	1.5
149.05913	7.2
151.07506	1.1
153.05457	13.7
155.08560	2.4
158.07245	2.0
159.08072	5.3
161.05956	8.6
163.03896	100.0
163.07533	3.1
164.04190	1.7
165.05434	1.2
171.07953	1.4
173.05974	8.5
173.09624	5.6
174.06389	0.9
175.07538	14.5
177.05501	4.6
177.09087	4.7
183.08047	1.0
185.09583	1.0
186.06781	1.5
187.07529	16.2
187.11139	1.6
188.08165	2.0
189.05429	4.2
189.09045	4.7
195.06514	48.1
196.06827	2.1
197.04344	1.3
197.09676	1.4
197.13132	1.0
201.05574	2.3
201.09102	26.4
202.09644	1.1
203.07030	3.9
209.08093	1.9
211.14745	1.3
214.09776	1.4
215.07028	15.4
215.10614	3.6
217.08626	2.6
219.06595	4.9
221.08139	2.6
229.08585	14.7
229.15839	1.3
229.34763	1.0
231.28575	1.1
233.08052	4.9
235.09608	6.1
239.14401	1.2
242.12990	2.4
243.10182	2.1
247.09660	12.5
257.15347	55.7
258.15735	2.5
261.11221	10.3
285.14822	24.2
286.15222	2.1
317.02814	2.7
317.06500	3.3
317.17465	15.0
317.20895	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.7
57.07062	0.9
59.04998	1.1
62.21824	0.6
67.01849	4.6
67.05495	3.5
68.99804	0.7
69.03400	0.8
69.07049	3.1
71.25319	1.6
75.97721	0.7
79.05483	2.4
81.07044	5.8
83.08593	1.1
91.05476	1.9
93.07045	4.0
95.08585	4.7
105.03399	1.1
105.06994	2.3
107.04940	29.3
107.08566	3.8
109.06475	1.0
109.10146	9.5
111.04424	1.7
119.08585	2.1
121.02859	0.7
121.06507	2.7
121.10139	5.4
123.04443	0.9
123.11691	2.1
131.04871	1.0
131.08530	1.5
133.10159	1.2
135.04399	89.6
135.11682	1.5
136.04720	0.9
137.05942	2.9
145.06459	1.2
145.10196	1.3
147.04373	1.6
149.05925	3.9
151.03900	0.6
153.01694	0.8
153.05458	10.9
155.08626	0.8
157.10130	0.6
158.07181	0.8
159.08020	1.7
159.11659	0.9
161.05963	2.6
161.09596	0.9
162.03139	0.8
163.03885	100.0
163.07561	2.2
164.04230	1.4
173.05975	4.6
173.09624	1.7
175.07599	5.6
177.05437	2.2
177.09058	1.4
187.07501	4.1
187.11189	0.7
189.05457	0.8
189.09109	1.8
195.06509	45.9
196.06822	1.2
197.09737	0.6
201.05600	0.8
201.09106	6.4
203.07066	0.8
203.10446	0.7
204.06506	0.6
215.07002	2.8
215.10675	1.4
217.08578	0.7
219.06517	1.2
227.10338	0.7
229.08635	3.1
229.15567	0.7
233.08080	1.8
235.09590	1.8
239.14235	0.8
247.09499	1.7
257.15347	19.0
258.15567	0.8
261.11172	2.3
285.14832	11.9
317.02914	1.5
317.06525	3.0
317.17499	7.0
317.20889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05503	6.9
56.05027	3.0
57.07054	3.3
60.04518	100.0
61.04848	12.5
63.30220	1.2
67.01851	1.7
67.05505	11.1
68.05017	1.1
68.05824	2.5
68.85394	1.1
69.00573	1.2
69.07068	9.2
70.06581	1.3
70.26662	6.3
72.04517	2.0
74.06062	2.5
79.05497	5.4
80.03677	1.3
81.07047	31.8
82.07370	3.0
83.04950	1.6
83.08611	2.7
84.08899	1.3
91.05451	4.9
92.05769	1.7
93.07008	4.9
95.04945	1.9
95.08592	10.2
96.08909	2.6
97.10170	1.4
98.21377	1.4
103.05444	2.7
105.07014	3.8
107.04946	5.4
107.08610	5.6
109.06530	1.7
109.10145	11.3
111.11711	1.4
117.07024	1.5
117.68340	1.0
119.08546	4.3
121.06432	3.5
121.10122	4.1
122.10409	1.5
123.11698	1.8
124.05196	1.7
131.04889	3.2
133.10109	2.9
135.04414	14.5
135.08102	1.2
135.11678	1.6
137.05963	2.7
137.09589	2.2
139.03868	2.0
144.78677	1.2
145.06441	1.3
145.10046	2.4
147.04414	2.3
149.05965	4.1
150.82393	1.1
151.07458	1.8
153.05406	2.2
155.08531	1.7
156.21582	1.3
158.07182	2.1
159.07953	1.8
161.05978	4.4
163.03891	17.2
163.07538	1.3
167.03387	7.6
173.05943	3.2
175.07582	2.7
177.05450	4.1
177.09090	3.4
179.03384	1.3
180.04143	2.4
187.07520	4.4
189.09125	1.7
195.06543	8.4
198.05206	4.0
201.05562	1.8
201.09099	14.2
207.06465	5.1
215.07001	3.9
215.10626	2.9
219.06458	2.5
227.10542	2.1
229.08638	9.6
229.15906	1.4
233.07996	1.9
242.12979	2.6
243.10303	1.2
246.22861	1.4
247.09550	1.8
251.25555	1.9
257.15359	29.0
261.11099	5.7
263.25565	2.0
281.26633	14.8
283.09665	5.7
284.10419	14.0
285.14813	14.4
299.20078	1.8
299.27725	14.3
317.02774	6.2
317.06488	7.6
317.17453	4.8
317.21069	5.1
317.28741	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1381
Annotation	(2S,4R)-5,6,7-Trimethoxyflavan-4-ol
Peak:m/z	Relative Intensity
50.45525	0.4
53.03928	0.8
55.05485	0.7
63.18335	0.4
65.03923	0.7
67.05494	0.9
68.99775	1.1
69.07056	0.9
74.80257	0.4
77.00734	0.5
79.05484	3.4
81.07051	23.9
82.07354	0.5
83.01335	20.1
83.04974	4.7
91.05479	9.6
91.41290	0.4
93.07032	4.3
95.04952	1.1
95.08579	1.1
97.06534	2.9
99.08070	1.1
103.05441	2.3
105.03379	1.0
105.07001	4.0
107.04922	0.5
107.08593	1.5
109.06510	9.4
109.10141	0.9
111.04425	2.6
117.07005	0.6
119.08572	1.7
121.02899	0.4
121.06483	1.4
121.10149	0.9
123.08071	1.1
124.05170	0.4
125.05984	8.9
127.06576	1.1
127.07542	20.8
129.07022	0.9
131.04906	3.2
131.08540	0.7
133.10115	1.5
134.29674	0.4
135.04411	1.0
137.06003	0.5
137.09598	1.5
139.03903	0.8
139.07536	1.4
140.17804	0.4
142.93741	0.5
145.06454	0.5
145.10103	0.6
147.11691	0.8
149.05974	8.1
151.03886	0.5
151.07512	1.1
152.04662	5.7
153.01801	0.6
153.05458	5.0
154.05873	0.6
157.04779	0.5
157.10048	0.7
161.09602	1.8
161.13217	0.7
167.03381	0.8
167.07034	6.0
168.07751	0.9
169.08607	0.7
169.10056	1.1
177.05501	5.6
179.08655	0.5
195.06519	92.7
196.06793	3.0
197.04427	1.1
207.11696	0.5
211.14806	0.7
213.07561	34.7
214.07870	1.1
217.15886	0.6
225.12709	0.7
239.14268	1.4
253.12187	0.8
257.11502	0.7
267.13733	0.7
271.13266	0.6
281.11752	1.6
299.12756	100.0
299.19940	2.0
300.13077	6.2
302.04410	0.8
317.02835	2.9
317.06543	3.3
317.13776	2.3
317.20837	0.9
317.28311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.3
57.03440	2.4
57.07071	2.2
61.16249	0.9
62.91946	0.8
63.27191	0.8
65.03941	4.3
67.01866	1.2
67.05507	2.6
69.07061	4.8
70.06593	4.7
79.05492	2.0
81.07047	3.2
83.04972	9.1
83.08601	0.9
85.02926	1.1
88.07622	6.2
91.05472	18.9
93.07040	1.4
95.08611	2.9
98.20721	1.4
102.09174	4.5
105.07031	1.9
107.04938	11.5
107.08530	2.1
108.20054	0.9
109.06496	1.2
109.10155	4.7
111.04436	87.8
115.05499	0.9
117.07012	1.5
119.04063	1.6
119.04930	31.3
119.08560	2.2
120.05336	1.1
121.06581	1.1
121.10152	3.0
123.11644	0.8
131.04935	1.0
133.06541	1.2
133.10129	1.4
135.04407	24.9
137.09584	0.9
145.06474	2.1
145.10057	1.4
146.11598	0.8
147.04396	100.0
148.04741	1.7
149.06001	1.6
153.05450	22.1
155.08525	1.2
159.08130	1.0
159.11734	1.2
160.85132	0.8
161.05989	2.1
163.03889	27.4
163.07585	1.7
165.05548	1.4
173.05971	35.6
173.09627	1.6
175.07556	4.7
187.07550	3.9
187.14848	1.1
189.05420	1.5
195.06532	14.9
195.08197	1.6
201.05472	1.3
201.09102	13.4
215.07068	1.7
215.10632	1.3
219.06505	2.3
229.08624	1.7
233.08046	6.0
247.09645	2.4
256.26340	14.5
257.08075	17.0
257.15366	16.9
261.11194	1.1
275.09177	2.5
284.10452	1.1
285.14758	5.5
299.19763	1.0
317.02924	3.9
317.06561	6.3
317.09842	1.6
317.17560	3.3
317.21146	2.2
317.28201	1.4
318.30023	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.3
57.03440	2.4
57.07071	2.2
61.16249	0.9
62.91946	0.8
63.27191	0.8
65.03941	4.3
67.01866	1.2
67.05507	2.6
69.07061	4.8
70.06593	4.7
79.05492	2.0
81.07047	3.2
83.04972	9.1
83.08601	0.9
85.02926	1.1
88.07622	6.2
91.05472	18.9
93.07040	1.4
95.08611	2.9
98.20721	1.4
102.09174	4.5
105.07031	1.9
107.04938	11.5
107.08530	2.1
108.20054	0.9
109.06496	1.2
109.10155	4.7
111.04436	87.8
115.05499	0.9
117.07012	1.5
119.04063	1.6
119.04930	31.3
119.08560	2.2
120.05336	1.1
121.06581	1.1
121.10152	3.0
123.11644	0.8
131.04935	1.0
133.06541	1.2
133.10129	1.4
135.04407	24.9
137.09584	0.9
145.06474	2.1
145.10057	1.4
146.11598	0.8
147.04396	100.0
148.04741	1.7
149.06001	1.6
153.05450	22.1
155.08525	1.2
159.08130	1.0
159.11734	1.2
160.85132	0.8
161.05989	2.1
163.03889	27.4
163.07585	1.7
165.05548	1.4
173.05971	35.6
173.09627	1.6
175.07556	4.7
187.07550	3.9
187.14848	1.1
189.05420	1.5
195.06532	14.9
195.08197	1.6
201.05472	1.3
201.09102	13.4
215.07068	1.7
215.10632	1.3
219.06505	2.3
229.08624	1.7
233.08046	6.0
247.09645	2.4
256.26340	14.5
257.08075	17.0
257.15366	16.9
261.11194	1.1
275.09177	2.5
284.10452	1.1
285.14758	5.5
299.19763	1.0
317.02924	3.9
317.06561	6.3
317.09842	1.6
317.17560	3.3
317.21146	2.2
317.28201	1.4
318.30023	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.07070	3.0
58.06577	0.7
62.66048	0.7
65.53894	0.6
67.05483	1.8
68.99773	1.5
70.06588	5.6
70.74117	1.3
71.08617	1.5
82.04167	1.6
83.01321	3.5
88.07621	7.3
91.05461	2.5
95.04963	3.2
95.08588	0.9
96.05735	2.4
99.04443	1.3
102.09146	4.2
103.05444	2.4
105.03336	0.7
105.07016	1.5
109.02845	0.8
109.10124	0.9
110.03651	1.3
119.08609	0.8
123.00665	0.6
123.04417	2.5
124.05204	17.7
131.04929	4.9
139.03877	7.0
149.05940	0.7
151.03911	0.7
151.61830	0.6
152.04646	7.3
153.01823	5.5
154.06174	0.7
163.03886	0.7
167.03387	45.9
168.03706	1.0
169.04851	1.0
171.02826	1.0
177.05434	2.1
179.03319	0.9
180.02571	1.2
180.04156	22.0
181.04784	1.4
185.04425	3.6
191.03355	1.0
193.04834	0.7
198.05219	21.4
199.02318	2.0
201.44501	0.5
205.04927	1.7
206.05638	1.1
207.06512	35.2
208.06754	1.0
212.23538	0.7
213.03966	3.2
215.02919	0.7
227.10680	3.3
233.04399	1.3
237.09027	1.2
238.09845	1.1
241.08604	1.5
255.09995	1.6
256.10925	0.9
256.26346	15.8
257.08096	1.2
261.04007	1.6
265.08646	1.7
266.09366	8.6
269.14581	0.7
270.69406	0.7
283.06415	1.3
283.09628	35.4
284.10397	100.0
285.10727	6.4
289.03500	1.8
300.28906	1.1
317.03030	8.8
317.06512	2.7
317.09836	4.4
317.21140	1.5
317.28406	1.2
318.03314	1.4
318.30005	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	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.19930	0.1
57.39984	0.2
65.03923	0.8
68.54631	0.2
68.99782	0.3
70.27414	0.8
76.07868	0.2
92.02618	3.7
93.03393	2.9
95.46099	0.1
111.00849	0.4
118.19984	0.2
121.02856	2.4
122.03649	0.3
126.03130	1.3
131.04919	0.2
137.02306	0.4
139.03883	1.5
140.04291	0.2
140.37730	0.2
145.06468	0.3
151.03891	1.1
152.00969	0.3
153.01816	17.2
155.04912	0.4
163.03929	0.4
165.01859	1.0
166.02571	0.3
170.02010	0.2
173.05991	0.4
177.05502	0.5
179.03363	0.2
183.02893	0.4
183.04385	0.4
187.03882	0.2
189.05449	0.2
190.06215	0.3
200.04669	0.9
201.05479	1.8
203.03337	1.7
204.04039	0.2
211.04016	0.3
217.04947	3.5
218.05765	1.3
219.02821	0.8
228.04158	4.1
229.04947	7.5
230.05701	0.2
231.02831	1.4
232.03723	0.4
239.03270	0.2
243.06470	0.3
245.04442	4.5
245.06993	0.2
246.05225	3.2
256.03711	0.6
257.04431	4.9
258.05103	0.3
260.03146	0.6
261.07559	0.5
271.05997	0.4
273.03909	3.6
274.04688	7.2
284.03217	1.0
285.03912	8.4
286.04538	0.3
287.01837	0.4
288.06100	0.4
299.08936	0.2
301.03415	0.6
302.04187	21.7
303.04578	0.5
317.06537	100.0
318.06894	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	317.065
Annotation	Junipegenin A
Peak:m/z	Relative Intensity
51.15029	0.2
53.47089	0.2
54.84945	0.2
55.01860	0.9
55.05497	0.5
65.03934	0.7
67.01846	0.2
67.05492	0.7
68.99778	2.4
69.03409	0.3
69.68086	1.7
81.07047	0.5
83.04980	0.5
83.08592	0.5
84.08132	0.3
91.05463	0.3
93.03395	0.6
93.07025	0.3
95.04978	0.5
95.08592	0.5
97.02871	0.4
97.06519	0.3
100.11252	0.8
105.03398	0.5
105.07014	0.3
106.29079	0.3
107.04945	1.1
109.02888	0.3
109.10152	0.8
111.04436	2.9
119.08588	0.5
123.04420	3.7
129.06981	0.5
133.02879	0.2
133.10114	0.2
135.04445	0.4
135.08055	0.2
137.05969	0.2
137.09570	0.4
139.03893	100.0
140.04231	1.2
141.06973	0.3
143.04922	0.3
147.04376	0.7
151.03900	11.8
153.01656	0.2
155.04890	0.6
155.07033	0.8
157.06448	0.7
161.06032	0.5
161.09544	0.2
163.03882	1.0
167.04932	0.2
169.06493	0.8
171.11665	0.3
175.03894	0.8
179.03381	14.4
180.95425	0.2
183.04398	1.1
185.06012	0.9
188.12787	0.5
189.05475	0.8
191.03397	0.4
193.04953	0.8
197.06004	1.3
199.04070	0.3
201.05486	0.8
203.03337	1.0
209.16444	0.6
211.03986	0.6
213.05504	1.4
215.03418	0.3
215.07040	0.4
225.05475	1.1
229.04968	1.2
231.06520	1.4
243.06508	0.7
245.04468	0.7
247.05902	0.2
253.04973	1.2
257.04431	2.1
271.06033	2.8
275.05774	0.5
281.04507	0.5
289.07150	0.3
299.05496	9.1
300.05676	0.3
317.06592	23.2
317.12048	0.7
317.21100	0.9
318.06900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2842
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03948	0.4
55.05510	4.7
56.05037	4.1
57.03431	0.5
57.07081	2.4
60.04523	100.0
60.21118	0.4
61.04859	0.7
62.96389	0.3
63.35368	0.4
64.15692	0.4
67.05496	7.2
68.05020	0.6
69.07069	5.2
70.33745	0.9
70.34136	1.6
71.08640	0.8
72.04503	2.1
73.02894	0.6
74.06078	2.5
79.05495	3.8
80.05019	1.3
81.07047	7.7
81.47298	0.5
82.06586	1.6
83.08598	2.8
84.08095	0.4
85.33849	0.4
86.06057	0.8
90.05544	1.2
91.05466	2.3
93.07042	3.9
93.46732	0.4
94.06580	0.9
95.04988	1.5
95.08610	7.0
96.08125	0.5
97.06541	0.9
97.10151	1.0
100.07664	0.5
102.05500	0.5
105.07034	1.4
107.08609	1.8
109.06577	0.5
109.10152	1.9
110.09701	0.4
111.11726	0.6
119.08596	1.6
121.10148	1.7
121.24229	0.5
123.11717	1.1
123.22562	0.4
133.10149	0.7
135.11656	1.0
137.13245	0.7
147.11667	0.5
151.14822	0.5
245.22545	0.7
250.25351	1.3
262.25290	1.5
263.23792	0.5
268.26343	0.8
280.26355	11.3
281.26727	0.9
298.27399	10.8
316.28461	30.4
317.28732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.7
55.05504	4.7
56.05035	4.2
57.03432	1.4
57.07074	2.2
60.04520	100.0
65.03963	0.6
67.01876	1.7
67.05499	11.3
68.05035	0.8
69.07069	7.6
70.06599	1.6
70.67038	2.0
71.08636	1.4
72.04513	2.3
74.06079	2.7
79.05491	3.7
80.05023	0.9
81.03449	0.7
81.07045	10.0
82.06567	1.3
82.35536	0.6
83.08604	4.2
87.04479	3.1
88.07621	0.9
90.05564	1.1
91.05499	2.3
93.07022	4.8
94.06559	1.0
95.04965	2.0
95.08585	8.2
97.10152	1.9
105.07056	2.8
107.04940	12.5
107.08585	4.1
109.06531	1.6
109.10153	9.3
111.11721	1.3
119.08578	3.5
121.10156	3.8
123.08114	1.5
123.11743	2.2
132.05402	0.6
133.10141	1.3
135.04404	32.6
135.11731	1.0
137.09599	4.2
147.04425	2.3
149.06035	1.1
151.07536	1.9
153.05440	3.7
161.05933	1.0
163.03886	34.9
173.05995	1.4
175.07561	1.2
187.07501	1.6
189.12852	0.8
195.06517	18.4
201.09117	2.1
206.49156	0.6
215.07069	2.0
229.08455	1.0
233.08188	0.8
247.09540	1.6
250.25346	1.8
256.26382	1.1
257.15350	12.7
261.11517	0.7
268.26398	0.9
280.26331	12.5
285.14801	4.8
296.77338	0.7
298.27374	11.3
316.28442	39.3
317.17355	1.6
317.21155	3.2
317.28845	1.9
327.31577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1222
Annotation	STEMOFURAN P
Peak:m/z	Relative Intensity
53.65307	1.6
55.05501	1.5
68.99783	12.0
69.03414	3.0
70.96573	3.3
71.04990	2.6
79.05482	1.1
81.07045	2.9
83.04959	3.8
91.05477	8.0
95.04955	2.5
103.05458	26.6
105.07013	11.2
109.06525	3.1
115.05452	1.2
117.06988	5.6
123.04424	3.5
125.05988	8.9
128.06226	2.3
129.06940	2.0
131.04910	75.1
132.05246	1.2
137.05959	1.9
138.56488	1.1
141.01782	4.2
141.05429	3.3
143.07028	1.7
145.06464	4.9
151.03896	3.8
153.06985	1.7
155.04919	7.0
157.06451	1.8
165.05505	5.6
165.06860	1.0
167.07043	7.9
173.05966	100.0
174.06360	2.7
181.06477	2.4
181.10068	1.2
183.06557	1.5
185.05951	4.4
199.07532	3.0
209.06012	2.4
209.09624	1.1
211.05983	14.6
215.39732	1.1
227.06990	11.6
245.08080	17.1
255.09984	1.1
269.11752	2.6
297.11215	11.0
315.12253	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	315.1224
Annotation	STEMOFURAN P
Peak:m/z	Relative Intensity
55.05498	1.2
67.01853	0.6
67.05485	1.1
68.99784	9.0
69.03422	2.8
70.57261	0.5
70.65327	1.5
70.65679	1.1
71.04980	2.6
79.05484	1.7
79.47466	0.5
81.07039	2.5
83.04984	3.3
91.05478	7.5
93.07021	1.0
95.04949	2.2
97.06521	0.9
101.06009	0.7
103.05466	25.2
105.03413	0.9
105.07018	9.3
109.06501	2.4
115.05455	2.1
117.07034	4.2
119.04984	0.6
121.06514	0.8
123.04427	2.4
125.05991	7.7
126.21164	0.5
127.05433	0.8
128.06227	2.2
129.06990	1.4
131.04916	72.5
132.05246	1.4
137.05920	2.7
141.01794	3.8
141.05420	3.8
143.06998	1.7
145.06471	4.7
149.05986	1.1
151.03902	5.3
153.06981	1.9
155.04913	5.1
155.06017	1.1
157.06500	2.0
165.05472	4.5
167.07030	8.0
169.04993	1.6
173.05974	100.0
174.06325	1.6
181.06476	1.6
183.06564	1.5
185.05948	4.0
193.04935	1.2
199.07536	3.5
209.06012	2.7
211.06010	16.0
211.07953	1.3
227.06998	15.2
229.07089	1.6
243.06509	0.6
245.08072	16.9
251.10583	0.9
255.10152	1.6
269.11664	1.8
279.10352	1.0
297.11172	11.2
315.12219	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	315.1223
Annotation	STEMOFURAN P
Peak:m/z	Relative Intensity
53.85217	0.8
55.05501	1.1
67.05492	1.0
68.99789	9.0
69.03413	2.0
70.06430	4.3
71.04970	2.8
73.94757	0.7
77.27147	0.8
79.05455	1.1
81.07034	1.1
83.04979	4.3
91.05459	6.2
95.04947	3.3
97.06530	1.0
103.05456	25.7
105.07014	8.6
109.06462	1.7
115.05485	1.3
117.07021	4.9
121.06483	1.0
123.04420	2.5
125.05966	6.6
127.05502	1.0
128.06213	2.3
129.07013	1.1
131.04916	71.8
137.05948	1.3
137.12527	0.8
141.01799	3.6
141.05428	2.3
143.06998	2.0
145.06453	3.7
151.03873	3.4
153.07019	1.4
155.04895	4.8
155.06024	1.6
157.06517	2.1
165.05478	4.2
165.66174	0.8
167.07004	8.3
169.04868	0.8
173.05971	100.0
174.06329	1.6
181.06419	1.2
183.06419	0.9
185.06006	3.9
193.04926	1.3
199.07501	3.5
209.06021	1.9
209.09576	1.1
211.05998	14.9
227.07007	10.8
229.07054	1.7
245.08067	15.9
251.10651	1.1
255.10201	1.1
269.11661	1.2
279.09967	0.7
297.11197	8.6
315.12234	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	315.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27200	1.0
55.05502	2.3
57.07074	2.0
63.54291	1.1
67.05495	4.2
68.99789	8.9
69.03410	3.6
69.07056	1.3
71.04983	2.8
71.08639	1.2
71.72004	1.8
79.05493	1.8
81.07037	5.4
83.04959	4.4
85.10171	1.3
91.05476	9.3
93.07024	2.6
95.04946	2.4
95.08590	1.9
103.05463	25.9
103.95192	1.0
105.03303	1.3
105.07031	8.3
109.06493	2.9
109.10119	1.5
117.07001	5.4
121.06563	1.3
123.04411	1.9
125.05981	9.3
128.06203	1.6
129.07004	2.2
131.04918	82.3
132.05249	1.1
133.06534	1.1
137.05942	3.3
141.01807	4.1
141.05449	2.5
143.07025	1.3
145.06544	5.6
151.03862	3.4
153.01817	2.5
155.04933	5.4
155.06030	2.0
157.06477	2.6
165.05449	3.9
167.07027	7.7
169.04956	2.0
173.05966	100.0
174.06268	1.1
181.06502	1.0
185.06001	3.5
195.06528	1.6
199.07463	3.0
202.13013	1.0
209.05908	1.4
209.09575	1.1
211.06018	14.2
212.06664	1.0
227.06989	12.9
229.06992	1.8
245.08064	16.7
255.10327	1.7
255.13701	1.3
269.11737	1.5
297.11188	10.2
297.69644	1.2
299.11057	1.5
314.34134	2.9
315.12244	3.6
315.23209	1.4
315.27908	1.7
315.34457	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18253	2.2
55.05513	2.2
57.07070	4.6
67.05490	3.1
68.99787	9.6
69.03418	3.5
69.50113	1.9
71.04973	3.3
71.71387	4.1
72.08132	2.6
79.05486	2.3
80.57509	2.1
81.07059	3.0
83.04970	5.2
90.09187	3.4
91.05460	10.1
93.07105	3.4
95.04942	3.3
103.05464	32.2
105.03426	2.9
105.07017	13.4
107.32785	2.0
109.06519	3.8
109.10185	2.6
117.07020	6.6
123.04443	2.5
125.05999	5.8
128.06236	3.7
131.04919	86.6
132.05226	2.1
137.05977	3.1
141.01819	3.6
143.07074	3.3
145.06459	4.9
145.10124	3.6
151.03937	5.2
151.11287	2.2
153.01781	3.1
155.04909	6.8
155.06001	2.9
157.06532	2.9
163.07558	2.2
165.05461	3.9
167.07048	9.8
173.05974	100.0
174.06322	3.3
174.18579	2.2
185.04440	3.4
185.06044	5.1
186.04758	3.7
187.05000	3.7
199.07564	2.5
211.06000	14.4
227.07065	14.0
245.08055	17.6
255.13777	3.2
297.11288	11.3
299.10986	3.5
314.34100	24.5
315.11905	4.9
315.23083	2.9
315.34457	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	315.1223
Annotation	Syzygiol
Peak:m/z	Relative Intensity
55.05497	1.4
57.03426	0.7
67.05492	2.1
68.99790	1.5
69.07047	1.1
71.04974	0.6
79.05497	3.3
81.07050	24.0
82.07438	0.5
83.01337	14.3
83.04980	6.1
83.08630	0.5
91.05467	1.3
93.07019	1.3
95.04951	0.8
96.40455	0.4
97.06516	2.0
98.20694	1.0
99.08073	0.6
103.05444	1.7
105.03377	0.7
105.07022	0.8
107.04940	2.0
107.08582	0.5
109.06518	7.7
109.10149	0.8
111.04412	2.3
117.07014	0.6
121.06525	2.3
121.10163	0.5
123.08072	0.5
125.05986	6.6
127.07545	16.7
131.04921	6.1
135.04396	1.0
135.08037	0.5
139.07582	0.5
147.04356	1.7
149.05983	5.5
151.03882	0.5
151.07553	0.8
152.04695	5.2
153.01805	1.0
153.05466	4.8
167.07062	3.3
169.04886	0.7
169.08638	3.3
173.05951	1.8
177.05463	5.0
191.10674	0.6
195.06517	100.0
196.06870	2.0
203.07112	0.9
209.07896	0.8
209.09708	0.9
211.06004	0.7
213.07559	39.3
214.07903	0.9
221.08064	2.8
227.06741	0.5
229.07083	0.8
255.10133	3.9
255.13374	0.7
273.11169	1.0
299.10779	0.6
315.12225	45.4
316.12582	1.9
328.22803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1222
Annotation	Syzygiol
Peak:m/z	Relative Intensity
51.02348	0.4
53.03937	0.5
55.05509	1.0
60.04527	0.4
65.03927	0.4
67.05483	1.3
68.99777	1.4
69.03410	0.5
69.07066	0.8
69.15272	0.4
71.04978	0.6
79.05476	2.7
81.07050	22.8
82.97266	0.4
83.01335	14.7
83.04972	4.4
85.44755	0.3
91.05463	1.8
93.07040	1.9
94.82558	0.3
95.04944	0.7
95.08585	0.8
97.06525	2.4
99.08074	1.0
103.05465	2.8
105.07030	0.9
107.04931	1.8
107.08581	0.8
109.06513	7.3
109.10138	0.9
111.04431	1.9
117.06948	0.6
119.08542	0.5
121.06483	1.8
121.10101	0.5
125.05987	6.5
127.07549	17.2
128.06215	0.5
129.06973	0.6
131.04915	7.6
135.04405	2.0
139.07529	0.4
143.07013	0.6
147.04398	0.7
149.05977	5.6
151.03902	0.5
152.04675	4.9
153.01805	1.0
153.05443	5.3
155.04903	0.4
163.03906	1.7
167.07030	3.4
169.04915	1.0
173.05977	6.7
177.05440	4.6
180.98946	0.4
195.06516	100.0
196.06758	1.9
199.07512	1.1
199.10701	0.4
203.07077	0.4
209.08047	0.7
211.05977	1.3
213.07553	36.1
214.08069	0.7
221.08060	2.8
227.07022	0.6
229.02675	0.4
229.42195	0.4
245.08078	1.2
255.09967	0.7
255.13782	2.1
273.11179	0.8
279.88739	0.5
283.13293	0.7
297.11261	1.1
315.12228	38.2
316.12579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1221
Annotation	Leridol
Peak:m/z	Relative Intensity
53.03943	2.8
57.07065	5.2
58.65411	2.3
68.99755	2.9
69.50137	24.1
79.05470	2.4
81.07034	6.1
82.64379	2.2
83.01344	12.4
84.47792	2.4
91.05470	12.0
95.04935	2.3
95.08553	3.4
98.33874	2.2
100.52471	2.6
103.05433	7.3
105.03383	56.3
105.06998	5.0
107.08572	3.8
115.05350	2.8
117.07011	6.0
119.08524	3.8
121.06464	6.0
121.10115	2.4
123.08083	2.7
125.05927	5.6
129.07005	3.7
131.04901	24.5
137.05917	3.5
139.07516	6.1
141.06926	3.0
145.06413	3.0
153.01794	4.6
157.06483	3.2
157.10028	3.2
163.07487	9.4
165.07025	2.5
167.07024	12.7
167.08296	3.9
171.08066	4.6
173.05984	28.7
176.61107	2.2
180.09312	3.0
185.05925	8.5
185.09541	2.8
191.07034	19.6
191.70860	2.5
195.11662	6.6
199.07481	8.2
208.08786	2.8
211.05884	5.1
213.09126	3.6
213.12784	3.3
223.11136	6.1
227.07054	2.6
227.10559	7.8
241.10461	2.1
241.12271	27.1
245.07979	6.7
251.10637	15.7
254.09346	13.1
256.10886	3.4
269.11710	100.0
271.13177	10.0
297.11194	39.4
315.12158	82.4
315.27771	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	315.1223
Annotation	STEMOFURAN P
Peak:m/z	Relative Intensity
52.96071	0.6
53.55712	0.6
53.58450	0.6
53.91680	0.6
55.05502	1.5
56.74084	0.6
57.07055	1.5
67.05493	1.6
68.99785	9.3
69.03413	2.8
70.05339	3.3
71.04974	2.9
77.03902	0.9
81.07040	3.0
83.04973	4.4
91.05463	7.9
93.07052	1.1
95.04938	1.8
97.06488	0.7
98.21474	0.8
99.04466	0.9
103.05457	26.4
105.07036	8.6
109.06498	2.8
111.08083	0.7
115.05424	0.8
117.06995	5.1
117.80500	0.6
121.06506	0.8
122.95000	0.7
123.04415	3.4
125.05996	5.9
128.06210	2.4
129.07004	1.3
131.04916	74.5
132.05186	1.0
137.05937	3.0
139.71210	0.6
141.01826	3.8
141.05428	2.7
143.07030	2.3
145.06467	5.8
151.03894	3.4
153.01854	1.5
153.07002	1.6
155.04893	6.5
155.06046	1.8
157.06450	1.7
165.05507	4.2
167.07014	7.5
169.04897	1.2
173.05969	100.0
174.06290	1.2
177.05345	0.7
181.06494	1.0
183.06505	1.4
185.04471	1.4
185.06009	3.4
186.04756	1.9
187.04912	1.0
193.05037	0.9
195.06532	3.1
199.07527	3.7
209.05956	1.8
209.09593	0.8
211.06004	15.1
213.07555	1.8
227.07002	12.3
227.10492	1.0
229.07124	1.6
245.08084	18.9
255.10060	0.8
258.28201	1.0
269.11685	1.8
297.11188	8.7
314.34134	8.6
315.11694	4.9
315.34427	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	315.1224
Annotation	Syzygiol
Peak:m/z	Relative Intensity
53.03938	0.5
55.05503	0.6
57.07067	0.4
67.05492	0.7
68.99786	1.2
69.03394	0.5
69.07060	0.6
70.52428	0.3
71.72658	0.6
79.05502	2.8
81.07048	21.8
82.07375	0.6
83.01331	13.6
83.04984	3.1
91.05465	1.4
93.07027	1.7
95.04968	1.1
97.06524	2.2
99.08107	0.6
103.05477	1.8
105.07007	0.9
107.04323	0.4
107.04919	2.0
109.06510	7.8
111.04418	2.2
121.06519	2.2
121.10111	0.4
125.05979	7.1
127.07542	17.0
131.04915	6.2
135.04433	0.5
143.06958	0.4
145.06477	0.4
147.04434	0.8
149.05965	5.3
151.03847	0.9
152.04677	5.7
153.01871	0.9
153.05455	4.9
155.04961	0.5
157.04922	0.4
165.71011	0.4
167.07019	2.9
169.08661	0.5
173.05972	4.5
177.05457	5.3
184.87401	0.4
185.35666	0.4
195.06512	100.0
196.06877	2.0
203.06984	0.5
211.06114	0.5
213.07559	43.3
214.07828	0.6
221.08090	3.1
227.07016	0.5
237.78705	0.4
245.08008	0.9
255.10294	0.6
255.13702	0.4
273.11145	0.6
297.11172	0.8
299.10898	0.6
300.11880	0.6
315.12207	39.3
316.12509	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
Peak:m/z	Relative Intensity
53.03928	0.3
55.01857	0.4
57.03434	8.0
65.03934	0.3
68.99776	1.4
69.03414	0.4
71.04942	0.6
79.01844	0.5
79.05452	0.2
81.03400	2.8
81.05976	0.2
83.01321	0.7
85.02899	20.9
91.05456	0.4
93.03404	0.4
97.02893	2.2
99.04488	0.3
103.05479	0.2
105.07024	0.2
107.01315	1.1
107.04947	0.3
109.02867	2.8
111.00804	1.2
119.04943	0.6
121.02850	1.7
121.06487	0.2
123.04423	4.4
125.02352	4.6
127.03929	0.7
131.04971	0.3
135.00737	0.3
136.07578	0.2
138.09189	0.2
139.03857	0.3
143.03374	0.8
147.04369	1.1
149.02325	1.2
151.03880	0.2
153.01819	13.7
153.02777	0.5
154.02193	0.2
159.04382	0.4
162.05515	0.6
163.03778	0.3
163.07471	0.2
167.03397	0.9
171.02881	3.9
175.07747	0.2
177.01828	2.1
191.36578	0.2
192.06511	0.3
192.73492	0.2
193.04929	1.5
195.02881	100.0
196.03255	2.6
205.04996	0.6
207.02855	0.5
213.03908	1.0
221.04573	0.2
233.04439	0.8
241.09589	0.2
261.03983	0.2
273.07645	1.0
287.13812	0.2
300.11188	0.4
315.05075	0.4
315.08594	3.7
315.13333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	Pisatin
Peak:m/z	Relative Intensity
50.28619	0.2
51.02372	0.3
53.03934	0.8
55.01859	0.7
57.03424	0.3
67.05466	0.5
68.99786	0.3
69.07050	0.4
69.67779	1.3
69.68204	0.5
70.44955	0.2
71.04960	0.3
77.03935	0.4
79.05492	1.8
81.07033	0.4
82.95132	0.2
83.04952	0.3
85.02911	0.4
91.05449	0.6
92.07941	0.2
93.07059	0.6
95.04962	1.9
95.08575	0.4
97.02892	0.4
97.06482	0.2
99.04449	0.2
101.02376	1.1
103.05456	1.2
105.04501	0.4
105.07004	0.5
107.04943	100.0
108.05254	1.8
109.02864	0.3
109.06509	0.2
111.04395	0.4
113.30632	0.2
115.05468	0.3
117.06986	0.2
119.08607	0.3
121.06459	0.6
121.10092	0.3
123.04405	0.8
124.47124	0.2
125.02335	0.4
127.03867	0.5
131.04916	3.6
131.08459	0.3
133.06450	0.3
137.02339	0.6
137.05998	0.6
139.03906	0.3
141.01808	0.2
145.06451	0.2
147.04333	0.3
152.06142	0.2
153.01814	5.2
155.08508	0.3
159.04361	0.3
161.05963	0.5
163.03903	1.1
163.11140	0.2
165.06981	0.4
173.05974	0.5
177.06816	0.2
179.03423	0.5
185.04463	0.4
187.02390	2.5
191.06950	0.2
193.04915	0.8
195.02885	0.4
195.08018	0.4
208.03635	1.7
209.04430	38.0
210.04732	1.0
223.07562	0.4
227.07004	0.2
237.09038	0.3
255.10172	0.5
265.08435	0.4
269.08051	1.2
273.07565	1.0
283.09604	0.8
287.01816	0.3
297.07513	1.3
297.11420	0.3
315.08585	43.0
316.05688	0.4
316.08911	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	315.0861
Annotation	Pisatin
Peak:m/z	Relative Intensity
51.02376	0.7
51.98434	0.2
53.03946	0.4
55.01876	0.3
56.68419	0.2
57.03447	0.2
59.82677	0.2
67.01867	0.5
67.05493	0.9
68.79835	0.2
68.99789	0.3
69.03421	0.2
70.98811	0.6
76.61599	0.2
77.03918	0.8
79.01849	0.9
81.03447	0.3
85.02882	0.5
95.04971	1.4
97.02888	2.5
97.06394	0.2
99.04430	0.2
103.05495	0.3
105.03379	2.2
107.01323	0.2
109.02883	0.5
113.88730	0.2
119.04876	0.3
123.04423	100.0
124.04759	1.9
125.02357	0.9
125.05974	0.5
127.03892	0.6
131.04916	0.4
137.05980	0.7
143.03372	1.9
147.04437	0.3
153.01820	23.4
153.02722	0.9
154.02200	0.3
159.04433	0.9
169.05009	0.4
171.02979	0.2
177.05557	0.3
179.03340	0.3
191.03371	0.3
192.04147	1.3
193.04959	35.9
194.05334	0.7
195.02872	0.7
205.04866	1.5
207.02898	1.1
221.04413	0.5
233.04475	1.4
237.03851	0.4
249.04070	0.3
261.03925	0.4
263.37906	0.2
279.04904	0.4
283.09619	0.3
297.05981	0.5
315.08609	59.2
316.05673	0.3
316.09000	2.4
331.88531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44293	0.5
51.02375	0.6
70.32942	2.6
79.01845	2.9
79.29533	0.6
82.00665	0.6
83.01270	0.6
85.02910	0.9
85.49500	0.6
97.02887	10.5
98.21353	0.8
107.01329	1.2
109.02914	1.0
121.06613	0.5
125.02362	3.7
127.03905	2.1
131.04915	1.9
143.03378	6.3
153.01819	100.0
154.02153	1.2
159.04419	2.9
161.06049	0.6
163.03876	1.1
171.02945	1.0
177.05539	0.9
183.03058	0.6
185.11687	0.6
187.03879	1.1
191.03348	1.8
195.02965	0.8
197.00868	0.9
205.04939	7.4
207.02916	4.5
209.04356	0.7
215.03392	1.7
221.04416	3.0
233.04428	6.6
237.03914	1.9
243.03108	0.6
249.03992	1.0
261.03949	1.6
279.04922	1.2
297.05966	1.1
315.06845	0.7
318.46802	0.7
324.63379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01593	0.2
51.02383	0.5
53.03941	1.5
55.01858	0.5
55.05503	0.2
57.03425	0.7
61.02905	0.4
68.99775	0.3
69.03426	5.8
71.04970	0.6
71.72862	0.3
73.02911	0.4
73.03984	0.1
74.70131	0.2
79.01849	4.7
79.05489	0.2
81.03412	12.3
81.07047	0.4
85.02903	4.6
87.04462	0.2
91.05463	0.4
95.04902	0.2
97.02885	2.9
99.04449	1.0
100.07607	0.3
101.02377	1.0
103.05474	1.0
105.07030	0.4
107.01307	2.2
107.04940	0.8
109.02875	7.2
119.08559	0.2
123.04421	2.3
125.02342	5.1
127.03910	5.6
131.04924	2.6
131.74794	0.2
135.00795	0.2
137.05972	0.4
141.01819	0.3
143.03392	8.0
147.04446	0.2
153.01819	100.0
154.02132	1.2
159.04364	0.2
161.05963	0.4
163.03932	0.3
163.07452	0.2
165.05466	0.2
165.06923	0.2
167.07036	0.4
171.02869	4.4
173.05994	0.6
175.03970	0.2
187.02361	2.0
189.28310	0.2
191.03432	0.3
193.04938	0.8
194.07199	0.2
207.02913	0.3
208.05055	0.2
209.04382	0.2
223.07579	0.3
233.04335	0.3
237.03889	0.3
237.09090	0.2
245.08147	0.2
255.10248	0.7
265.08514	0.3
273.07541	0.9
283.09622	0.6
297.02679	0.3
297.06030	6.5
297.11288	0.5
315.01596	0.2
315.08316	1.4
315.12469	0.6
324.05548	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
60.71939	0.5
63.14011	0.5
65.47696	0.5
69.03426	1.0
70.85191	0.7
70.85522	1.1
71.70138	0.4
79.01846	5.6
82.31562	0.5
85.02879	1.1
97.02258	0.6
97.02888	9.8
103.05455	0.7
107.01289	0.8
107.23676	0.6
109.02869	1.6
115.91563	0.5
125.02348	4.5
127.03923	1.8
128.77060	0.5
131.04924	2.1
143.03406	8.9
153.01820	100.0
153.02872	4.5
154.02092	0.7
159.04422	3.0
161.05937	0.7
168.66637	0.6
171.02882	1.5
175.03896	0.6
177.05463	1.5
179.03391	0.7
187.03842	0.8
191.03430	2.3
193.04890	0.5
205.04938	5.2
207.02893	5.3
209.04427	0.7
211.02342	0.6
215.03383	1.2
221.04466	3.4
233.04427	6.2
237.04025	1.5
249.03917	1.0
261.03915	2.1
279.05045	1.1
297.05899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03939	0.4
55.01867	0.4
68.99780	0.5
69.03410	0.8
69.70286	3.1
71.89506	0.4
73.01991	0.3
77.03904	0.5
79.01849	4.0
82.20256	0.4
85.02887	1.7
95.04992	0.5
97.02881	9.7
98.20714	0.8
103.05434	0.4
105.03391	0.7
105.07004	0.4
107.01291	1.4
109.02862	1.2
119.04868	0.4
123.04418	32.2
125.02335	4.2
127.03893	1.6
130.60098	0.3
131.04922	2.0
137.05948	0.4
143.03386	8.6
143.45970	0.4
147.04369	0.7
153.01814	100.0
153.02756	3.7
154.02126	0.7
159.04408	3.2
163.03874	1.0
165.05499	0.4
171.02869	1.2
175.03905	1.1
177.05486	1.1
179.03371	0.9
179.06985	0.5
181.01294	0.9
183.02834	0.4
183.05478	0.4
187.03899	1.2
191.03368	1.9
192.04152	0.6
193.01317	0.4
193.04962	11.5
195.02885	0.7
197.00789	0.6
205.04927	5.4
207.02887	5.2
209.04424	0.7
211.02377	0.4
215.03395	1.4
217.05061	0.7
221.04477	2.2
223.02338	0.8
233.04405	6.5
237.03886	0.9
249.03917	0.7
254.26025	0.4
261.03925	1.3
279.04956	1.4
297.06039	1.2
315.08612	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	314.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93831	5.3
55.05508	1.1
56.96560	14.9
69.96174	35.1
70.88154	2.0
70.88545	2.1
71.95255	1.1
87.97227	2.2
98.97581	17.0
103.05457	1.5
110.92454	1.1
110.98985	1.0
116.98602	20.5
116.99390	1.3
119.01923	4.1
130.93292	2.4
131.04906	2.3
131.96118	11.1
131.96875	1.1
134.99652	16.9
136.26765	1.1
137.02980	2.3
139.00621	1.3
144.83798	0.9
149.97197	25.5
153.00702	2.5
159.03258	6.7
163.02815	5.0
167.98260	2.4
171.06180	1.3
172.94316	1.5
173.05975	2.3
174.97672	1.8
177.00928	12.5
177.04326	2.3
178.01099	3.5
179.00725	3.7
181.03842	1.6
185.01286	1.6
187.02745	1.9
189.07219	1.3
189.95157	1.5
190.95334	2.7
191.07007	2.4
192.98767	2.3
201.00974	2.4
203.02303	6.9
205.00494	1.3
205.04109	1.3
207.96260	12.4
208.96117	5.5
211.02800	1.3
216.98738	1.5
219.01990	28.4
220.02094	14.4
221.01740	7.8
229.03914	3.1
229.07370	1.6
231.96179	6.0
232.96164	3.9
233.03664	4.4
234.03172	2.0
234.99774	2.1
242.03598	1.7
248.94406	3.9
249.97321	30.8
250.97438	3.5
251.95052	1.5
255.96339	3.6
258.99826	2.1
260.00256	1.2
260.04779	3.3
261.02997	9.6
262.03226	2.8
263.02921	8.7
265.95053	1.3
266.95233	4.0
272.98911	2.0
273.03378	1.2
273.06668	5.0
273.97263	38.3
274.97620	4.2
277.00931	3.1
278.01071	2.7
290.95209	5.9
291.04654	1.3
291.07712	5.7
291.98337	100.0
292.98572	4.1
296.98950	2.7
308.96622	1.9
314.95374	13.1
314.99844	6.9
315.03970	1.9
315.07581	28.1
315.11206	1.6
315.95123	2.2
332.96362	15.8
333.08475	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	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
57.03172	1.0
57.03431	21.3
57.07070	57.7
67.05492	9.8
69.07059	10.3
69.57975	1.6
69.58380	5.7
71.04945	0.8
71.08624	38.9
81.06603	1.3
81.07050	15.0
83.08610	12.8
85.06517	1.5
85.10174	21.3
89.06001	3.3
95.08598	21.1
97.10156	6.6
99.11715	2.5
103.07561	2.4
109.10149	10.1
111.11655	1.7
123.11695	4.0
125.13341	1.0
137.13222	1.6
168.05504	0.8
169.68861	0.8
201.26657	0.7
202.05354	0.8
207.83678	0.8
209.04468	3.9
221.22548	1.0
239.23637	4.2
257.24643	5.7
298.27509	1.1
313.27344	100.0
314.27661	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.3
57.03168	1.6
57.03431	25.6
57.07071	76.2
67.05503	14.1
68.27783	1.0
69.07058	12.8
69.55135	8.5
71.04963	1.2
71.08627	48.5
72.93313	1.0
76.74185	1.0
79.05463	1.4
81.07051	19.1
83.08613	15.5
85.10174	24.1
89.06020	3.0
93.07027	1.4
95.08595	28.5
97.10167	8.4
99.11707	2.0
103.05412	1.0
103.07581	3.3
109.10157	14.2
111.08104	1.5
111.11723	1.1
117.09201	1.1
123.11700	5.9
125.13297	1.1
132.68616	0.9
137.13269	1.9
145.79480	0.9
239.23651	4.9
257.24725	7.4
261.68433	1.0
298.27338	1.4
313.27344	100.0
314.27792	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05501	9.2
57.03434	22.6
57.07071	68.8
58.60397	0.7
67.05498	14.4
69.07060	11.9
70.89442	1.4
71.04964	1.0
71.08627	46.4
73.06543	0.7
76.78601	0.7
79.05476	1.5
81.07053	18.3
83.05000	1.1
83.08612	14.1
85.06536	1.1
85.10176	26.1
85.54360	0.7
89.06010	3.0
91.05431	0.7
93.07038	1.3
94.32749	0.7
95.08601	24.7
97.10162	6.8
99.11741	1.7
103.05449	1.5
103.07568	2.5
107.08547	1.2
109.10142	12.3
110.96861	0.7
111.11687	1.1
118.93497	0.9
121.10159	0.8
123.11666	5.7
125.13262	1.2
128.35902	0.7
131.04883	0.9
132.37877	0.7
137.13226	2.2
147.97350	0.8
151.14844	0.9
171.90024	0.7
175.03850	0.9
209.04475	1.6
239.23677	4.4
257.24728	7.0
290.68341	0.7
298.10742	1.3
298.27274	1.1
313.27350	100.0
314.13861	1.7
314.27658	3.3
335.28085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.2
56.05006	2.0
57.03208	2.2
57.03431	25.4
57.07071	73.7
60.50790	2.0
63.87531	2.1
67.05508	10.3
69.07052	9.5
71.08257	3.9
71.08625	44.5
71.50361	5.1
79.05498	2.1
81.07045	17.9
83.08607	15.8
85.10173	24.2
89.06007	3.3
90.75510	2.3
93.07079	2.8
95.08604	25.0
97.10146	7.1
103.05468	5.5
103.07538	3.9
109.07622	2.8
109.10151	10.1
111.11700	2.1
116.14786	1.9
120.93933	2.2
123.11696	4.5
131.04907	3.1
148.05188	2.6
149.08224	2.2
151.07536	2.1
175.03951	2.5
239.23708	4.2
257.24753	7.5
299.11563	3.4
308.32431	2.2
313.10925	3.5
313.14771	1.9
313.27356	100.0
314.13876	6.1
314.27716	2.4
315.14267	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	313.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01881	3.4
55.05510	29.8
57.03431	21.4
57.07074	2.5
61.02905	2.3
65.03946	2.6
67.05498	65.3
69.03433	1.7
69.07063	24.2
70.69869	1.6
71.04989	4.9
71.08609	2.7
71.44097	3.4
71.44443	1.7
79.05491	33.9
81.07049	98.7
82.07413	2.4
82.25793	1.7
82.83613	1.9
83.04944	8.5
83.08614	22.2
85.06538	4.7
85.50164	1.6
88.07626	2.5
91.05469	30.1
92.18600	1.6
93.07037	30.3
95.04958	4.9
95.08599	100.0
97.06521	20.2
97.10202	3.8
99.08096	7.1
103.05437	8.6
105.07029	26.7
107.08589	7.6
109.06477	4.1
109.10143	13.3
111.08090	3.9
113.09629	3.7
117.05489	22.0
117.06966	3.2
119.08574	30.8
121.10163	8.2
123.08030	4.1
131.04910	5.7
133.10118	21.6
135.04404	3.5
135.11652	9.6
137.05959	3.5
137.09583	3.3
137.13264	5.7
148.05164	2.8
161.05890	1.7
161.13235	43.5
161.14554	2.8
163.07585	3.1
166.13185	1.7
167.08571	2.0
175.03909	5.0
179.14311	18.8
181.48198	1.8
187.03903	1.9
197.15421	1.9
241.08572	4.4
253.12164	1.8
253.17986	7.2
295.27515	2.5
298.10840	2.3
313.10669	4.4
313.14218	2.5
313.20087	24.2
313.28342	10.1
314.13821	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	313.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03716	0.1
53.03942	1.4
55.01645	0.1
55.01866	1.5
55.05503	1.2
57.03172	0.1
57.03434	1.6
57.07070	4.3
65.03939	0.9
66.82599	0.1
67.01861	0.3
67.05150	0.2
67.05499	2.9
68.99781	7.2
69.03421	0.5
69.07063	0.7
69.43729	1.0
71.04988	0.8
71.08627	2.9
77.03938	0.1
79.05487	0.1
81.02964	0.2
81.03412	2.2
81.07050	1.3
83.04963	0.1
83.08611	1.0
85.10175	1.3
89.06007	0.2
91.05462	0.1
93.03371	0.2
93.07017	0.2
95.04948	0.9
95.08591	1.5
97.10170	0.5
98.21461	0.2
99.04443	0.6
100.04623	0.1
103.04774	0.1
103.05453	2.0
103.07558	0.2
105.03412	0.3
105.07020	3.9
107.01322	0.1
109.10146	0.9
111.04431	0.4
111.11657	0.1
112.98710	0.4
121.02849	0.3
123.11681	0.4
130.99765	1.0
131.04922	3.3
135.11694	0.1
137.13216	0.2
139.03938	0.2
139.64365	0.1
162.18401	0.1
163.07567	0.1
167.03348	1.9
167.04671	0.1
185.04439	100.0
186.04787	2.6
225.09004	0.1
229.08592	1.4
236.53233	0.1
239.23674	0.3
243.01476	0.1
253.08569	0.5
257.24878	0.5
271.09634	14.6
272.09995	0.5
285.11206	0.1
289.36716	0.1
298.10730	0.1
313.10699	0.3
313.27347	7.0
314.13904	0.2
331.04846	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	313.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61736	12.6
62.98240	13.6
63.12677	12.1
67.56625	13.5
71.68585	24.6
83.02648	16.2
98.91944	52.2
136.84573	12.3
160.98216	17.5
175.01814	15.2
188.02629	18.7
206.99287	24.9
223.02824	45.7
223.53073	20.6
232.03430	51.2
237.03458	22.4
253.00850	77.1
272.86536	12.5
295.00836	18.4
313.01703	76.6
313.05072	100.0
324.09076	13.6
331.02692	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0702
Annotation	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
55.01855	1.2
55.05493	1.0
55.60889	0.7
57.03413	0.8
57.07059	1.4
67.05492	1.7
68.99771	3.0
69.03403	1.1
69.07063	0.9
71.71294	0.9
79.05488	1.4
81.07040	1.8
91.05457	2.8
93.07038	1.2
95.04936	0.9
95.08585	1.4
103.05424	4.0
103.73013	0.9
105.03369	1.2
105.06992	1.8
107.04954	3.8
109.10116	1.0
111.04411	1.0
115.05348	0.9
121.06455	1.0
123.04416	9.5
127.68317	0.7
128.40337	0.9
129.06943	0.9
131.04897	2.3
131.08470	0.8
133.06427	1.2
135.04376	6.0
137.02330	2.3
137.05988	1.7
147.04387	6.9
148.05173	1.4
149.06032	0.9
153.06981	1.2
157.06543	1.0
161.05974	1.7
162.03082	0.9
163.03909	2.8
163.07497	1.8
165.05513	1.1
165.06966	1.9
167.08659	0.9
169.06462	1.1
171.08081	0.9
175.03967	4.9
176.04684	3.0
181.06470	3.0
190.02654	1.8
191.03368	1.6
191.18871	0.9
193.06509	1.0
194.02155	2.3
197.05998	3.5
199.07538	5.0
203.03426	5.1
204.04231	0.9
211.07486	2.2
215.07083	2.9
221.06058	2.9
224.04623	0.9
225.05504	1.7
225.09151	1.0
227.07016	3.1
237.05925	1.0
239.07025	4.1
241.08517	1.5
245.07983	4.0
249.05420	1.3
253.05078	1.6
260.44882	0.8
264.12213	0.8
267.06595	2.4
271.06024	3.1
285.07626	2.5
285.67203	1.1
295.05963	2.1
313.07053	100.0
313.10461	4.2
313.27390	1.5
314.07370	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03932	2.2
55.01863	2.2
55.05507	60.4
56.05831	1.1
57.03431	24.8
57.06807	1.8
57.07070	28.9
67.05495	11.1
69.07061	67.5
70.07367	0.9
71.05003	0.9
71.08620	16.1
73.02898	2.0
79.05499	7.2
81.07049	12.8
83.04974	1.7
83.08611	57.2
85.06534	0.8
85.10184	7.5
89.19880	0.9
91.05443	1.4
93.07026	8.4
95.08586	10.2
97.06503	6.6
97.10155	40.9
101.05999	1.1
107.08589	6.4
109.10123	3.7
111.08047	2.3
111.11720	13.3
115.07539	1.0
119.08438	1.2
121.10117	7.6
123.11679	2.4
125.09639	1.7
125.13206	2.2
135.04387	1.2
135.11670	6.4
139.11220	1.3
149.13229	2.8
209.11665	5.4
215.96175	0.9
219.21071	2.9
237.11174	4.0
237.22253	1.5
276.74515	1.0
311.25766	100.0
312.26175	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.164
Annotation	BRN 5760976
Peak:m/z	Relative Intensity
52.64444	0.5
53.03938	1.1
55.01849	0.7
55.05499	2.5
57.07071	1.3
62.20098	0.5
63.91940	0.5
67.05484	1.9
68.39046	0.5
69.07055	1.7
71.05007	0.6
71.23489	1.4
71.83672	0.6
75.95139	0.5
75.95614	0.5
79.05485	4.3
81.07063	3.3
82.27311	0.6
83.04984	0.9
83.08605	1.6
83.45096	0.6
85.02907	0.7
85.06534	0.8
91.05463	5.6
93.07033	4.0
94.04158	1.4
95.04938	2.8
95.08605	2.2
97.10130	0.6
100.07601	0.6
100.11232	2.4
101.62278	0.8
103.05458	18.4
105.07042	5.4
107.04945	100.0
107.08573	2.2
108.05298	0.8
109.06519	1.3
109.10132	2.1
115.05434	3.0
117.07017	9.7
119.04957	1.1
119.08559	1.2
120.08093	0.7
121.06499	9.1
121.10120	1.7
121.34282	0.5
122.03647	3.5
123.11664	0.7
129.07011	2.1
131.04919	32.1
131.08572	3.6
133.06482	21.7
135.08054	1.2
137.05963	53.8
142.07672	0.6
143.08536	0.7
144.05687	1.4
145.06473	19.1
146.07280	0.6
147.08038	9.5
149.05930	0.7
149.09662	0.6
149.13193	1.5
151.07561	2.3
157.06509	3.1
157.10126	2.2
159.08040	5.4
159.11674	1.0
161.05925	0.8
161.09605	1.9
163.07529	61.0
164.07867	0.9
165.09081	0.7
167.08452	0.8
173.09612	3.1
177.09096	28.6
181.06384	0.7
183.08104	0.8
184.16924	2.9
185.09636	2.7
187.07600	0.8
187.11168	17.7
188.11433	0.7
191.09003	0.6
191.10669	4.2
195.08069	1.2
199.11261	0.6
199.14661	0.6
203.10678	1.2
205.12273	1.3
209.05936	1.1
209.09483	0.8
209.11584	0.6
210.15005	1.0
211.07550	0.9
217.12230	11.0
219.08023	1.4
220.08678	0.8
223.07533	1.7
233.09579	0.7
237.09190	0.9
241.08620	2.2
251.10611	1.7
255.10164	0.8
261.12683	0.9
266.21109	1.4
279.10092	2.4
279.13812	3.1
293.15634	0.5
294.20673	4.4
311.09100	1.4
311.12744	3.2
311.16360	27.2
311.23471	0.9
311.29095	0.8
312.16718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03908	6.0
55.05494	28.3
57.03434	11.9
57.07042	6.8
67.05499	72.7
69.07053	17.5
71.08624	61.4
79.05489	64.5
81.03406	11.3
81.07050	81.3
83.04971	11.3
83.08583	11.9
91.05460	46.8
93.07031	87.1
95.04944	25.5
95.08607	63.3
97.06508	15.4
97.10159	8.8
99.08084	60.6
105.07017	27.9
107.04942	12.9
107.08619	38.5
109.10124	18.3
111.74322	6.1
119.08571	22.4
121.10143	37.0
123.04375	7.8
131.08553	13.8
133.10123	18.0
134.61620	6.1
135.11685	47.7
145.10178	9.7
147.11679	14.8
149.13229	13.0
151.11182	18.1
154.46652	5.9
157.10124	6.6
161.13184	10.6
163.11179	12.2
178.02327	6.5
179.14302	100.0
189.12785	8.0
224.20663	6.9
235.13208	7.8
259.20532	10.6
277.21640	54.9
309.24188	16.4
321.06836	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	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.0
55.01859	3.7
55.05507	12.3
57.03418	5.5
57.14487	1.8
65.03922	2.9
67.05502	28.1
69.03409	4.3
69.07062	16.9
71.04968	3.1
71.71333	3.2
79.05485	24.7
81.03380	3.5
81.07048	40.0
83.04971	3.6
83.08608	5.4
91.05467	41.3
93.07040	68.7
95.04960	48.6
95.08601	38.2
97.06522	19.2
103.05449	5.3
103.76601	2.0
105.04450	2.3
105.07022	79.2
107.04951	2.5
107.07926	2.7
107.08586	26.0
109.06498	14.0
109.10145	17.3
111.08067	1.9
115.05434	4.7
117.06998	11.9
119.04926	2.0
119.08575	52.8
121.06508	11.2
121.10133	100.0
122.10440	2.1
123.08095	11.4
123.11668	4.9
128.06247	7.5
129.06990	14.1
130.07765	6.8
131.08563	35.6
133.06508	2.5
133.10126	38.3
135.08047	5.8
135.11688	9.7
141.06990	6.3
142.07805	12.1
143.08565	26.7
144.09319	5.7
145.10115	41.8
147.08014	3.7
147.11673	12.7
149.05991	2.8
149.09560	2.4
155.08600	10.7
156.09343	8.7
157.10118	24.1
158.10915	2.5
159.08031	3.0
159.11690	35.2
161.09647	7.7
161.13280	5.4
163.11151	2.7
165.06960	3.4
167.08534	4.6
168.09299	4.3
169.10146	13.9
170.10892	3.9
171.11720	14.0
172.12473	2.1
173.09541	4.4
173.13240	14.2
175.11125	2.9
175.14825	5.1
179.08470	4.4
180.09218	2.6
181.10101	6.8
182.10861	4.8
183.11662	10.9
184.12547	2.7
185.13234	10.9
187.11139	11.2
187.14784	15.3
189.12738	3.4
193.10149	5.1
194.10902	3.6
195.11662	7.9
196.12469	2.4
197.13196	7.7
199.14807	6.7
205.04903	2.3
206.10864	2.5
207.11671	4.8
209.13263	6.1
211.14792	7.5
213.12804	2.3
213.16267	3.2
221.13277	2.6
223.05972	4.7
223.14774	3.3
225.12671	2.2
225.16414	6.0
233.13608	2.1
235.14790	5.7
237.16284	2.6
239.17914	3.5
253.15968	5.7
253.19530	2.9
265.19492	3.2
275.94727	2.0
281.22681	7.7
291.20938	10.0
309.22092	73.1
310.22382	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63075	2.8
53.03927	5.3
55.01872	6.3
55.05503	26.3
57.03438	25.2
57.07063	4.6
65.03935	5.4
67.05496	95.3
69.03425	6.1
69.07070	36.2
71.04965	5.4
76.02217	4.3
79.05485	88.9
81.03413	3.8
81.07047	100.0
83.04974	13.8
83.08614	7.8
85.02899	7.4
85.06539	7.1
88.82129	3.1
91.04926	6.7
91.05470	91.6
93.07034	77.9
95.04951	13.7
95.08597	73.3
97.06522	8.5
97.10169	8.9
105.03391	3.8
105.07024	43.0
107.08579	52.7
109.06505	9.6
109.10141	23.1
111.08078	7.0
117.07013	29.3
119.04948	3.8
119.08569	55.6
121.10126	61.5
123.08053	7.0
123.11674	7.5
125.09630	3.2
129.06998	9.2
129.18225	3.2
131.08553	30.9
133.10129	31.9
135.08058	8.0
135.11667	12.9
137.09660	8.1
143.08540	8.0
145.10124	12.9
147.04425	6.0
147.11684	16.7
151.11177	3.9
157.10091	11.9
161.13217	2.9
163.11147	4.2
166.88925	3.2
171.11642	4.1
173.13239	6.2
179.42786	3.2
187.77992	2.9
189.12663	3.1
189.16426	15.5
199.14822	11.9
201.95540	3.1
207.02840	6.0
209.99338	3.1
217.15787	18.1
235.16908	12.2
291.19577	5.5
300.47723	3.3
309.11111	10.5
309.17136	4.3
309.20535	61.1
309.24609	3.3
309.25372	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	309.2209
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03926	4.7
55.01866	6.7
55.05507	16.7
57.03415	4.2
57.07058	5.8
59.05010	2.7
61.75632	2.4
65.03907	2.6
67.05499	28.9
69.07072	18.5
70.23911	4.7
70.24312	6.5
79.05481	28.5
81.07053	35.2
83.04961	3.4
83.08591	5.2
91.05482	39.2
93.07042	60.1
95.04401	4.8
95.04961	47.3
95.08595	37.0
97.06525	16.3
103.05461	4.0
105.07023	77.2
107.08582	40.2
109.06495	12.0
109.10158	21.6
115.05434	4.2
116.28233	2.6
117.07001	15.7
119.07752	4.0
119.08570	58.8
121.06486	12.5
121.10135	85.4
122.10472	3.2
123.08038	10.7
123.11668	8.1
127.68922	3.2
128.06200	8.1
129.07004	14.1
130.07767	5.9
131.08553	36.9
133.06497	3.3
133.10104	40.9
135.08026	5.6
135.11664	7.0
141.06967	5.3
142.07770	18.5
143.08540	31.2
144.09306	5.5
145.10123	45.1
147.08051	4.4
147.11684	15.3
149.09570	3.2
155.08543	12.4
156.09294	11.8
157.10117	39.3
158.10762	4.4
159.08057	5.2
159.11676	33.3
161.09605	7.7
161.13214	9.8
167.08589	3.4
168.09280	3.9
169.10110	19.8
170.10881	4.0
171.08075	3.0
171.11655	25.1
172.12323	3.1
173.09615	4.7
173.13260	14.5
174.14001	3.4
175.14787	9.1
179.08575	5.1
181.10114	6.0
182.10857	5.1
183.11670	19.9
185.13246	14.4
187.11177	9.0
187.14798	16.3
189.12704	4.6
190.19470	2.7
191.08492	3.2
193.10092	8.2
194.10889	4.5
195.11687	9.5
196.12456	3.0
197.13274	15.2
199.11176	4.4
199.14825	10.0
201.12729	3.7
201.16411	3.9
205.04942	3.8
205.10069	4.7
206.10698	2.8
207.11636	4.7
208.12512	2.8
209.13255	10.1
210.13852	3.1
211.14789	10.1
213.16385	4.6
215.14186	3.0
221.13287	7.4
223.06044	7.9
223.14780	5.5
225.16310	6.9
235.14801	10.6
239.17873	5.8
249.16377	4.3
253.15929	7.2
253.19540	4.2
265.19421	4.5
281.22690	8.3
291.20926	12.9
309.22083	100.0
310.22409	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	309.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63075	2.8
53.03927	5.3
55.01872	6.3
55.05503	26.3
57.03438	25.2
57.07063	4.6
65.03935	5.4
67.05496	95.3
69.03425	6.1
69.07070	36.2
71.04965	5.4
76.02217	4.3
79.05485	88.9
81.03413	3.8
81.07047	100.0
83.04974	13.8
83.08614	7.8
85.02899	7.4
85.06539	7.1
88.82129	3.1
91.04926	6.7
91.05470	91.6
93.07034	77.9
95.04951	13.7
95.08597	73.3
97.06522	8.5
97.10169	8.9
105.03391	3.8
105.07024	43.0
107.08579	52.7
109.06505	9.6
109.10141	23.1
111.08078	7.0
117.07013	29.3
119.04948	3.8
119.08569	55.6
121.10126	61.5
123.08053	7.0
123.11674	7.5
125.09630	3.2
129.06998	9.2
129.18225	3.2
131.08553	30.9
133.10129	31.9
135.08058	8.0
135.11667	12.9
137.09660	8.1
143.08540	8.0
145.10124	12.9
147.04425	6.0
147.11684	16.7
151.11177	3.9
157.10091	11.9
161.13217	2.9
163.11147	4.2
166.88925	3.2
171.11642	4.1
173.13239	6.2
179.42786	3.2
187.77992	2.9
189.12663	3.1
189.16426	15.5
199.14822	11.9
201.95540	3.1
207.02840	6.0
209.99338	3.1
217.15787	18.1
235.16908	12.2
291.19577	5.5
300.47723	3.3
309.11111	10.5
309.17136	4.3
309.20535	61.1
309.24609	3.3
309.25372	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	309.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02008	0.3
51.78813	0.4
56.05021	1.0
67.05489	0.5
67.48712	0.4
71.62114	0.6
81.07055	0.4
84.04500	24.6
91.05470	2.0
93.07041	1.4
100.02149	0.5
102.05529	0.4
102.40823	0.4
103.05452	5.0
105.07045	0.8
109.02824	0.7
119.04946	0.7
120.08096	100.0
121.06493	8.7
121.08437	2.1
121.10165	0.5
130.04979	3.0
131.04938	2.5
133.06456	0.4
135.08078	0.7
147.04385	1.2
148.04727	0.9
163.07516	3.0
180.10187	38.3
181.10458	0.9
184.07452	0.4
186.09128	5.8
232.09724	2.1
246.11319	1.4
291.05341	0.5
292.11768	4.6
301.14017	0.4
309.07635	0.4
309.11237	0.8
309.14539	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1481
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
55.01913	1.0
55.05319	0.5
55.05566	1.3
56.96626	0.5
57.07119	0.6
59.05048	0.4
62.31100	0.4
67.05544	0.9
67.35813	0.4
69.03473	1.0
69.07109	0.9
69.41095	4.9
70.04137	0.4
76.02273	1.3
79.05538	1.2
81.03478	0.6
81.06686	0.6
81.07126	2.1
83.08698	0.5
84.04555	0.7
85.06579	0.8
91.05563	2.4
93.07101	0.9
95.05029	0.9
95.08665	1.1
105.03461	0.7
105.07101	1.3
107.08680	0.6
109.10223	0.9
115.43562	0.4
117.07093	1.5
119.04925	3.0
119.08623	0.9
121.10177	0.8
123.11776	0.8
133.06497	0.9
135.08141	0.8
137.05989	1.1
145.06552	0.8
145.10143	0.5
147.04391	14.0
147.08099	0.6
155.08580	0.6
165.07066	1.7
167.08606	0.9
169.06528	0.9
178.07835	2.2
179.08534	3.5
181.06509	0.8
183.08150	0.7
189.07056	1.3
190.07796	1.1
191.08574	1.5
192.09386	0.9
193.10121	2.3
195.08022	1.3
197.05991	0.8
202.07692	2.5
203.08524	3.7
204.09351	0.8
205.06531	0.9
205.10132	0.8
206.07260	2.2
206.10944	1.1
207.08035	9.2
207.11653	1.0
208.08723	3.3
209.05989	0.6
209.09636	0.7
210.06680	0.8
211.07579	1.2
214.53419	0.5
215.08546	1.3
216.09343	2.8
217.06592	0.8
217.10146	0.6
218.07277	1.5
219.07993	3.2
220.08861	3.3
221.06035	4.7
221.09567	10.4
221.13014	2.5
222.06508	0.6
223.07458	2.4
224.08308	0.9
225.09265	0.5
229.08380	0.7
229.10384	0.9
230.10895	1.0
231.08112	3.4
231.11658	6.3
232.08864	1.1
232.12067	0.5
233.09654	1.8
234.06703	5.1
234.10362	2.7
235.07494	16.6
235.11180	1.9
236.08237	6.0
237.09096	1.5
241.08278	0.9
241.10339	1.4
244.08725	2.2
245.09573	1.4
247.07533	1.8
247.11115	1.3
248.08238	4.8
248.11925	1.1
249.09105	20.9
249.12735	19.0
250.09785	1.3
250.13033	0.5
251.07022	2.3
252.07742	2.5
253.08586	3.5
255.10231	0.7
259.11182	6.8
260.11920	1.7
261.09052	1.5
262.06473	0.4
262.09805	3.0
263.08167	0.6
263.10645	3.6
264.10962	0.5
265.08609	1.2
266.09274	1.5
267.10123	13.3
267.13004	0.7
268.10712	1.2
275.10666	1.9
276.11282	3.0
277.08917	3.9
277.12195	100.0
278.09729	0.8
278.12518	4.6
279.09979	0.6
280.10901	1.8
281.11746	4.5
281.14938	0.8
291.10541	0.6
291.13748	14.3
294.08752	1.6
294.12436	2.7
309.11182	5.2
309.14752	39.2
310.11752	0.5
310.15158	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	309.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03941	4.1
55.01852	0.3
55.05498	0.3
55.05745	0.3
69.07043	0.3
69.27132	0.2
69.82932	0.6
69.83354	1.1
76.40465	0.2
77.03918	1.1
77.22521	0.3
81.03410	0.4
84.08160	0.5
95.04958	9.0
105.03381	100.0
106.03715	1.1
115.05446	1.2
117.05694	0.6
118.06555	1.5
122.06016	0.8
130.06514	14.0
132.08075	7.5
142.06538	1.4
144.08107	0.7
144.43871	0.3
146.05997	2.8
147.04449	0.3
158.08379	0.4
159.09164	27.6
160.07523	1.6
160.09569	0.3
161.80609	0.3
162.05505	0.3
170.06029	2.5
182.15387	0.4
188.07065	5.1
228.55675	0.3
245.10793	0.7
258.82642	0.2
263.11777	25.9
264.12167	0.7
273.15256	0.2
277.08746	0.5
291.11316	1.2
292.09705	0.4
309.12073	1.2
309.15216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.99281	0.3
57.86852	0.4
59.05004	0.4
65.03925	0.8
67.05488	0.8
68.01611	0.3
69.03420	0.9
69.07050	1.0
69.56599	0.5
69.57007	2.4
76.02209	0.4
78.27035	0.3
78.36894	0.3
79.05492	0.6
81.03387	0.5
81.07046	2.3
83.08585	0.5
85.02894	0.8
85.06530	0.5
91.05476	8.3
91.06042	0.4
93.07029	0.8
95.08607	1.9
97.02883	1.4
97.10166	0.6
98.21439	0.7
99.04442	0.5
100.11241	0.4
105.07003	0.7
107.04944	1.3
107.08578	0.8
109.02872	0.6
109.10167	0.9
111.08067	2.0
117.06956	0.4
119.04932	23.7
119.08558	0.7
121.02854	1.2
121.10115	0.7
127.03907	1.0
131.04915	0.5
131.08568	0.5
133.06441	0.5
135.11705	0.5
137.05916	0.5
141.04378	0.8
147.04395	100.0
147.11674	0.6
148.04721	2.6
157.06503	0.7
157.25430	0.3
159.08127	0.4
165.05479	1.4
173.05991	0.7
177.05475	0.7
185.06030	0.9
187.07497	1.0
201.05318	0.4
203.07013	0.9
213.05531	0.4
215.06941	0.7
221.09627	0.5
223.10649	0.4
231.06476	2.5
234.06787	0.4
249.09094	0.7
255.06540	0.5
264.54373	0.4
273.07629	0.7
277.08585	0.9
281.11703	1.1
291.08591	2.9
309.11087	1.5
309.17795	0.5
309.27695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.8
56.05032	1.8
57.03413	2.6
58.99575	4.8
59.89418	1.6
61.89454	1.4
66.78146	1.5
68.04996	2.0
69.07046	1.9
70.04076	3.3
70.06022	9.5
70.06559	2.0
75.14882	1.5
76.02223	19.4
79.05480	6.3
80.05008	7.3
81.07042	5.5
84.04498	16.1
85.02905	38.4
91.05470	7.2
93.05743	2.3
93.07035	13.0
94.06542	3.0
95.08626	1.8
105.07016	7.1
107.08577	6.2
108.08110	100.0
109.08949	8.5
110.09670	3.4
114.05504	2.6
116.01674	4.4
116.79757	1.4
119.08555	5.8
130.04973	3.3
131.03369	3.2
131.08592	1.8
133.10143	2.0
134.09677	2.9
135.11679	5.4
139.03905	2.9
140.04237	1.8
142.03238	3.3
143.08502	2.1
144.01208	1.8
147.04427	8.9
148.11093	3.8
161.13211	2.2
162.02165	7.8
178.08678	2.3
179.04869	9.5
194.11685	3.3
202.13048	2.5
210.07591	6.1
230.12599	2.3
233.05959	3.5
238.10725	74.3
239.11371	3.2
240.12262	28.2
308.18542	58.4
309.11295	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	308.091
Annotation	Glutathione
Peak:m/z	Relative Intensity
55.01864	1.7
56.05026	2.6
56.96560	6.6
57.03426	3.7
58.99582	21.2
61.02919	2.7
69.03419	7.0
70.23759	0.8
71.04993	1.3
71.40340	1.9
73.02905	2.8
76.02221	100.0
76.03986	3.6
80.05012	1.2
81.03399	2.4
83.04927	1.0
83.06084	1.6
84.04498	50.8
85.02899	12.0
85.04827	1.6
86.99056	5.2
87.04456	3.0
88.02219	1.6
97.02862	6.6
98.97559	5.9
99.04459	1.6
100.04448	1.0
102.05511	1.4
106.10277	1.1
109.02875	1.7
110.01246	1.1
110.10429	1.1
110.97546	1.2
114.03701	1.5
116.01673	23.9
116.98579	2.7
119.01863	3.1
127.03946	5.3
128.98598	1.7
130.04991	15.1
131.00262	1.0
131.96178	5.0
132.95802	1.0
139.03900	2.6
140.04214	2.4
142.03215	8.5
143.00169	1.6
143.01831	1.2
144.01114	9.3
149.97192	2.7
158.99684	1.1
162.02179	35.3
163.02589	1.3
170.02724	3.2
170.99792	1.6
173.97223	1.2
175.04526	1.6
179.04846	41.1
182.99300	1.0
187.00320	1.6
187.05299	1.0
201.00684	2.0
205.01289	1.3
205.06450	1.1
213.03351	1.7
215.04828	2.4
219.01736	1.9
221.05070	1.2
233.03676	1.7
233.05876	11.8
233.99301	2.1
237.02762	1.0
244.99707	1.6
245.05855	2.7
263.00650	2.3
276.00357	1.9
291.06516	2.4
308.09073	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	308.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
56.05026	2.6
56.96560	6.6
57.03426	3.7
58.99582	21.2
61.02919	2.7
69.03419	7.0
70.23759	0.8
71.04993	1.3
71.40340	1.9
73.02905	2.8
76.02221	100.0
76.03986	3.6
80.05012	1.2
81.03399	2.4
83.04927	1.0
83.06084	1.6
84.04498	50.8
85.02899	12.0
85.04827	1.6
86.99056	5.2
87.04456	3.0
88.02219	1.6
97.02862	6.6
98.97559	5.9
99.04459	1.6
100.04448	1.0
102.05511	1.4
106.10277	1.1
109.02875	1.7
110.01246	1.1
110.10429	1.1
110.97546	1.2
114.03701	1.5
116.01673	23.9
116.98579	2.7
119.01863	3.1
127.03946	5.3
128.98598	1.7
130.04991	15.1
131.00262	1.0
131.96178	5.0
132.95802	1.0
139.03900	2.6
140.04214	2.4
142.03215	8.5
143.00169	1.6
143.01831	1.2
144.01114	9.3
149.97192	2.7
158.99684	1.1
162.02179	35.3
163.02589	1.3
170.02724	3.2
170.99792	1.6
173.97223	1.2
175.04526	1.6
179.04846	41.1
182.99300	1.0
187.00320	1.6
187.05299	1.0
201.00684	2.0
205.01289	1.3
205.06450	1.1
213.03351	1.7
215.04828	2.4
219.01736	1.9
221.05070	1.2
233.03676	1.7
233.05876	11.8
233.99301	2.1
237.02762	1.0
244.99707	1.6
245.05855	2.7
263.00650	2.3
276.00357	1.9
291.06516	2.4
308.09073	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	308.0908
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.05034	1.7
58.99306	1.4
58.99580	18.2
67.05497	0.9
70.04077	1.4
70.13206	3.4
76.02220	100.0
76.03979	3.5
79.05460	1.0
80.04979	1.2
83.04967	0.9
84.04498	44.4
85.02898	1.6
86.99036	4.5
88.02217	1.7
98.11136	0.8
100.11227	1.3
102.05490	1.1
107.04932	3.6
114.03766	1.3
116.00858	1.2
116.01672	22.2
119.08606	0.9
130.04991	12.4
139.03911	1.3
140.04161	1.8
142.03209	10.0
142.99829	1.1
144.01122	11.7
161.51944	0.9
162.02187	40.4
170.02644	3.2
178.15874	1.9
179.04839	44.9
180.05292	0.8
187.05365	1.9
199.10933	0.8
215.04826	2.1
227.04816	0.9
230.12581	1.8
233.05899	18.0
245.05872	2.9
277.08640	1.0
291.06342	2.3
308.09134	3.7
308.13199	1.9
308.18500	3.5
308.26874	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.5
55.01870	51.9
55.05501	24.2
57.03432	13.8
64.24576	3.0
65.03941	5.8
67.05502	76.5
69.03410	5.5
69.07066	54.5
69.50909	18.1
69.51334	15.8
71.04971	4.0
75.69232	3.2
75.70375	3.4
76.02213	5.4
79.05488	49.7
81.03415	36.5
81.07055	98.4
81.59946	3.2
83.04965	13.7
83.08615	11.7
85.06529	6.4
88.16703	3.3
91.05480	68.5
93.06503	6.6
93.07041	62.0
95.01350	5.5
95.04977	27.6
95.08610	57.0
97.06527	100.0
97.10178	5.3
102.83521	3.5
105.07024	71.4
107.04952	28.8
107.08591	29.8
109.06507	18.1
109.10166	14.1
111.08086	5.2
113.50307	3.2
117.07018	29.6
117.07761	4.7
119.08575	46.8
121.06503	11.8
121.10137	15.8
123.08059	12.3
125.09638	8.1
128.04762	3.3
128.06236	6.6
129.06990	8.4
131.08539	32.9
133.10118	44.2
135.08054	7.2
135.11716	16.7
137.05995	6.2
137.09653	7.9
141.06956	6.2
143.08585	11.5
145.06502	8.5
145.10133	24.1
147.11679	21.2
149.09633	11.9
149.13261	12.7
151.11159	6.5
154.07689	3.8
157.10110	5.8
159.11681	28.4
161.09560	5.7
161.13210	7.7
163.11171	7.8
165.09157	4.2
169.10109	7.3
173.13268	9.9
175.11192	3.5
177.12747	6.9
179.14334	17.0
183.11772	8.7
187.11197	11.2
190.34619	4.0
197.13217	4.3
201.12773	11.8
201.16380	4.8
203.14337	4.8
205.12334	5.8
209.15488	4.4
219.17441	53.7
229.12227	13.2
247.13321	7.9
247.20592	6.5
257.19003	9.8
275.20068	76.7
276.20096	3.9
307.22653	19.0
307.28259	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	307.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55312	8.9
67.74234	9.1
69.56113	100.0
81.07038	16.0
81.18340	9.0
83.24844	10.1
91.05423	14.5
93.07004	14.4
99.60125	10.0
105.07018	29.9
116.93934	9.4
119.08586	13.5
129.31680	11.2
130.71681	10.9
131.08553	14.0
143.08615	24.8
145.10098	15.4
155.08549	12.8
159.07991	14.0
159.11693	22.8
168.09343	15.0
173.13274	14.9
183.11726	30.1
189.09105	15.6
201.12767	40.5
213.33055	12.0
229.12308	49.5
247.13263	31.9
307.07901	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	307.0808
Annotation	EPIGALLOCATECHIN
Peak:m/z	Relative Intensity
51.28594	0.2
53.00297	0.8
53.16292	0.2
55.01855	0.9
65.03928	1.9
67.05486	1.0
68.99774	0.9
79.05474	0.5
83.04964	0.8
91.05508	0.2
93.03390	1.1
93.07007	0.2
95.04972	1.5
97.02867	0.4
98.21474	0.6
99.04416	0.3
107.04961	2.1
111.04415	2.3
117.03368	0.4
121.02859	1.6
121.06475	0.3
123.04408	1.6
127.03897	0.5
131.04909	1.0
133.02824	1.5
135.04393	3.6
139.03888	100.0
140.04216	2.1
145.02826	0.7
147.04407	0.4
149.05989	0.9
151.03883	3.6
153.01839	0.6
153.05450	1.3
156.45343	0.3
159.04411	2.6
163.03894	9.5
169.04948	1.6
177.05478	3.1
181.04936	4.9
195.06514	2.4
205.05037	0.7
223.05995	1.7
247.06027	0.7
289.07065	0.8
307.08145	0.7
314.70520	0.3
321.90378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0809
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.00293	0.7
55.01858	0.6
55.05500	0.4
56.96550	1.0
58.99564	0.5
61.02915	0.5
65.03923	1.1
67.05492	1.7
68.99777	1.0
69.03409	0.8
69.88538	1.4
70.95842	0.5
72.93761	0.4
76.02220	3.9
76.03963	0.5
79.01833	0.4
81.03404	0.4
83.04979	1.7
84.04502	2.5
85.02879	0.5
89.03907	0.3
90.94801	0.6
91.05448	0.3
93.03388	1.1
93.07043	0.3
95.04954	2.3
97.02878	0.6
98.97575	0.5
99.04447	0.3
101.00862	0.5
102.01524	0.3
105.07024	0.3
107.04923	1.6
109.02820	0.3
110.97564	0.3
111.02053	0.6
111.04417	2.6
115.02464	0.5
116.01657	0.8
116.98586	0.3
117.07001	0.3
119.01940	2.3
121.02876	1.6
121.06593	0.2
123.04413	1.1
125.01780	0.7
127.03928	1.2
129.05493	0.5
130.04971	1.0
131.01891	0.7
131.04919	1.0
131.08627	0.3
131.96130	0.4
132.95854	1.2
133.02806	0.9
134.02318	0.6
135.04395	2.8
137.02945	0.4
139.03889	100.0
140.04219	2.4
143.01881	0.3
144.01146	0.4
145.03531	0.3
147.06496	0.5
149.06010	0.9
149.97191	0.4
150.96893	1.1
151.03906	4.0
153.01828	0.7
153.05438	1.2
155.01881	0.7
157.03384	0.5
157.04927	0.5
158.97386	0.8
159.04402	2.4
161.01155	0.4
161.02937	0.5
162.02209	1.6
163.03897	8.4
167.07028	0.4
169.03561	0.5
169.04967	2.0
171.03151	0.8
173.02934	0.9
174.96919	0.4
176.98557	0.6
177.03989	0.5
177.05418	2.8
179.04858	2.1
180.03635	0.4
181.04947	5.3
183.11578	0.3
185.01271	0.6
185.02708	0.5
186.04590	0.3
187.00963	0.5
187.04449	0.6
189.00694	0.4
193.07030	0.4
194.03346	1.5
195.06516	2.5
198.96942	0.4
200.98434	1.1
201.12653	0.3
203.02191	0.4
203.03949	1.1
205.05051	0.8
212.04445	0.6
216.98039	0.3
218.99545	0.5
221.04988	0.8
223.06027	1.4
228.97989	0.4
229.12228	0.5
233.05833	0.8
247.03061	0.6
247.05881	0.8
247.13400	0.6
261.00571	0.7
277.05826	0.3
289.07138	0.5
307.01248	0.9
307.07706	0.2
307.10431	2.7
326.43805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60608	0.4
53.65454	0.3
63.50912	0.4
64.49644	0.3
69.07053	1.4
69.87954	2.8
73.90887	0.4
78.06898	0.3
79.05489	0.9
81.07036	0.6
91.05454	0.6
93.07055	0.6
94.04192	2.4
107.08587	0.5
109.06477	0.4
109.10170	0.7
114.09155	0.5
114.34172	0.4
122.03636	7.0
126.09177	0.5
133.10124	0.8
135.11688	1.4
137.05963	100.0
138.06331	1.3
138.48146	0.4
151.11098	0.4
153.12726	1.0
153.86624	0.4
157.08324	0.4
163.39621	0.4
170.15372	2.3
174.27519	0.4
182.15373	2.6
203.65401	0.4
302.71924	0.4
306.20547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85022	1.0
57.07069	100.0
58.07414	1.1
59.99102	12.6
71.51978	0.9
71.72529	1.8
79.05455	1.3
85.07668	1.6
86.06062	15.6
102.03721	2.4
102.99593	1.3
106.06542	65.6
116.05304	43.6
121.02863	1.6
137.05980	9.5
145.04289	12.7
146.99931	1.1
201.10555	60.4
202.10669	1.3
208.05325	4.6
225.79756	1.1
229.12209	1.3
250.10074	4.3
306.07367	1.8
306.16464	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	306.1698
Annotation	Convolamine
Peak:m/z	Relative Intensity
56.61820	0.3
57.03437	2.9
71.01331	1.4
71.23566	0.6
75.93881	0.4
85.02901	39.7
86.03249	0.5
91.05470	0.7
93.37361	0.5
95.01315	0.5
103.03898	0.6
111.76374	0.4
113.02349	1.5
118.06536	16.1
126.13283	0.4
127.03890	1.2
131.03378	1.5
132.08086	6.7
133.08841	2.9
134.09621	1.3
137.17598	0.3
139.03909	1.8
144.08066	0.4
146.09644	5.4
147.10400	0.6
151.03867	0.6
159.11650	0.5
176.14340	87.6
177.03337	0.4
177.14693	2.2
180.03658	0.5
202.15880	1.0
216.13867	0.9
246.14963	0.5
288.05588	0.4
288.16046	1.2
306.16983	100.0
307.17325	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
55.01859	0.6
56.18711	0.4
65.03931	0.4
66.30529	0.4
67.01867	0.5
67.05476	0.7
68.99794	2.2
81.03421	3.7
95.04971	0.6
99.04472	0.7
105.03394	1.0
109.02871	4.8
111.00787	1.8
123.04424	9.9
127.03906	100.0
128.04234	0.7
133.02885	2.8
137.02339	29.3
137.03397	2.4
139.03896	16.6
139.04991	0.7
147.04384	3.1
149.02332	0.9
150.03020	0.5
151.03897	30.8
153.01791	0.9
155.03392	3.4
161.06006	0.6
163.03864	0.6
165.05524	0.8
167.03360	0.9
171.04303	0.6
173.05936	0.6
175.03926	5.2
177.05461	0.9
179.03380	32.9
185.05943	1.4
189.05510	0.7
193.04840	1.1
201.05525	0.9
203.03387	5.2
213.05424	2.5
217.04938	1.4
221.04523	1.2
230.47655	0.5
231.06619	1.1
241.05023	1.0
245.04391	1.0
259.05945	2.1
275.05212	0.7
277.06979	1.4
287.05511	9.6
305.06534	28.6
306.06888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
55.01865	0.5
65.03936	1.1
67.01861	0.7
67.05479	1.1
68.99787	2.9
70.95451	1.5
79.13543	0.4
81.03407	3.1
91.80110	0.4
93.71030	0.4
95.04964	1.5
99.04434	1.2
105.03386	1.8
107.01284	0.4
109.02875	5.6
111.00795	1.8
111.04455	0.8
113.25240	0.4
119.04929	0.7
121.02909	0.5
123.04419	13.0
127.03905	100.0
128.04247	1.4
130.25244	0.5
133.02843	3.9
137.02335	13.2
137.03357	1.1
139.03894	23.0
139.04987	1.1
147.04420	4.3
149.02333	1.2
151.03893	33.7
153.01866	0.9
153.08208	0.5
155.03395	3.5
157.06491	0.6
159.04420	0.5
165.05490	1.7
167.03423	0.7
171.04338	0.6
175.03902	7.2
177.05479	1.2
179.03383	36.1
185.06049	1.3
189.05478	0.8
193.04965	1.5
199.03906	1.1
201.05453	1.0
203.03366	5.4
203.05170	0.7
206.09717	0.5
206.53618	0.5
213.05399	2.5
217.04944	1.8
219.06435	0.6
221.04454	1.1
231.06520	1.3
241.04982	1.8
245.04436	1.0
259.05957	3.0
261.03912	0.5
263.05670	0.5
269.04416	0.5
275.05582	0.9
277.06955	2.4
287.05499	11.9
305.06537	29.4
306.06894	1.0
309.34814	0.5
309.99280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
52.97533	0.4
55.01841	0.5
56.96548	0.8
67.01854	0.6
67.05493	1.0
68.99790	2.9
69.03410	1.1
69.07045	0.6
69.94159	1.0
69.94569	1.4
71.04932	0.4
81.03418	3.1
81.07019	0.5
83.04944	0.4
85.02878	0.8
91.05469	1.1
93.07007	1.0
95.04952	1.2
97.02895	1.1
99.04414	0.7
103.05452	0.4
103.10673	0.5
105.03370	1.1
105.07006	1.0
107.04959	0.6
109.02859	4.8
111.00812	2.3
111.04459	0.6
116.98582	0.5
121.02833	0.8
123.04415	11.9
127.03905	100.0
128.04276	1.1
128.42297	0.6
128.96872	0.5
129.07047	0.8
131.04955	0.7
133.02843	3.6
133.06439	0.5
136.07594	1.6
137.02309	1.9
137.05971	2.3
139.03886	14.0
141.06897	0.5
145.06503	0.6
147.04395	3.2
149.02335	1.5
149.07434	0.4
151.03896	28.9
151.07484	0.9
153.01801	6.2
155.03366	2.9
157.06526	1.3
159.04330	0.5
161.02306	0.8
161.05962	0.6
163.07549	1.0
164.07079	1.0
165.05505	1.0
167.03409	0.7
171.02872	0.6
171.04407	1.1
173.05954	0.9
175.03889	5.8
175.07541	0.9
177.05383	0.8
179.03380	37.3
180.03902	0.4
185.05977	1.5
189.05447	1.3
193.04956	1.5
193.08627	0.6
199.03967	0.7
201.05397	0.8
203.03381	6.3
203.06953	0.5
209.53787	0.4
213.05440	2.3
217.04987	1.2
221.04547	1.3
228.03261	0.6
229.05028	0.4
231.06549	2.5
237.03055	0.5
241.04942	1.5
245.04358	1.0
245.08218	0.7
259.02634	0.4
259.03409	0.5
259.06003	4.3
263.05521	0.5
269.04568	0.7
275.05511	0.5
277.07205	1.9
287.05502	10.9
287.10303	2.2
305.06525	29.4
305.10352	1.4
306.06659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.3
56.05026	1.7
56.17034	1.2
56.96564	5.1
57.03423	1.9
61.02921	1.3
62.92982	1.2
65.03940	1.6
66.33795	1.1
67.05507	2.0
68.99788	2.3
69.03430	3.5
69.68402	3.5
69.68832	7.1
70.06585	2.1
71.38238	1.2
73.02904	2.1
81.03400	5.8
81.04536	3.9
85.02884	3.6
87.06393	1.5
95.04969	2.2
95.06052	1.8
97.02877	2.7
98.97580	4.7
100.25004	1.3
101.00880	5.8
102.96915	1.4
105.03343	2.3
106.39222	1.3
109.02870	10.1
111.00755	2.1
114.05534	6.2
115.03732	2.4
115.05872	2.2
116.98624	2.6
119.01906	12.3
121.02840	2.2
123.04408	16.4
125.07084	4.9
127.03899	100.0
128.04294	1.8
131.01938	4.1
131.96130	4.7
133.02832	3.0
139.03885	21.7
143.01907	4.8
143.07068	2.8
143.08119	19.7
143.09129	1.8
145.03461	10.1
147.04405	3.5
149.97183	6.8
151.03889	47.6
151.05069	2.7
152.02422	1.5
155.01933	3.1
155.03400	6.0
157.03450	3.8
157.97684	1.8
161.02946	4.3
167.03067	2.2
169.03426	10.4
171.04984	4.1
173.02933	6.6
175.03844	7.0
179.03363	33.6
184.02946	2.0
185.02925	5.5
185.06018	1.3
185.09196	4.6
186.07872	2.0
186.09543	8.0
187.04480	12.1
189.02271	1.6
197.02962	5.7
203.03632	5.6
213.05411	2.9
215.04018	5.6
224.03180	1.4
227.04054	1.7
227.08838	1.6
231.03549	1.5
241.05037	2.2
245.04979	8.2
259.06042	3.1
275.06042	18.5
277.07013	3.1
287.05490	10.2
287.14313	7.3
293.07217	2.0
305.05896	25.9
305.08807	7.2
305.12103	23.3
305.14853	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.3
56.05026	1.7
56.17034	1.2
56.96564	5.1
57.03423	1.9
61.02921	1.3
62.92982	1.2
65.03940	1.6
66.33795	1.1
67.05507	2.0
68.99788	2.3
69.03430	3.5
69.68402	3.5
69.68832	7.1
70.06585	2.1
71.38238	1.2
73.02904	2.1
81.03400	5.8
81.04536	3.9
85.02884	3.6
87.06393	1.5
95.04969	2.2
95.06052	1.8
97.02877	2.7
98.97580	4.7
100.25004	1.3
101.00880	5.8
102.96915	1.4
105.03343	2.3
106.39222	1.3
109.02870	10.1
111.00755	2.1
114.05534	6.2
115.03732	2.4
115.05872	2.2
116.98624	2.6
119.01906	12.3
121.02840	2.2
123.04408	16.4
125.07084	4.9
127.03899	100.0
128.04294	1.8
131.01938	4.1
131.96130	4.7
133.02832	3.0
139.03885	21.7
143.01907	4.8
143.07068	2.8
143.08119	19.7
143.09129	1.8
145.03461	10.1
147.04405	3.5
149.97183	6.8
151.03889	47.6
151.05069	2.7
152.02422	1.5
155.01933	3.1
155.03400	6.0
157.03450	3.8
157.97684	1.8
161.02946	4.3
167.03067	2.2
169.03426	10.4
171.04984	4.1
173.02933	6.6
175.03844	7.0
179.03363	33.6
184.02946	2.0
185.02925	5.5
185.06018	1.3
185.09196	4.6
186.07872	2.0
186.09543	8.0
187.04480	12.1
189.02271	1.6
197.02962	5.7
203.03632	5.6
213.05411	2.9
215.04018	5.6
224.03180	1.4
227.04054	1.7
227.08838	1.6
231.03549	1.5
241.05037	2.2
245.04979	8.2
259.06042	3.1
275.06042	18.5
277.07013	3.1
287.05490	10.2
287.14313	7.3
293.07217	2.0
305.05896	25.9
305.08807	7.2
305.12103	23.3
305.14853	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	304.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04814	0.7
56.05032	8.5
56.96548	1.5
57.03420	1.7
58.06594	4.4
61.02913	2.2
68.05014	2.7
69.03419	1.9
70.04182	4.4
70.06590	10.9
72.08156	1.4
73.02911	1.9
74.02429	1.1
74.06084	0.9
82.06556	1.0
84.04496	1.1
84.08115	1.7
85.02895	4.3
85.07668	3.9
86.06064	12.6
97.02883	1.1
98.09666	1.5
98.97563	3.3
100.03957	4.3
101.07140	0.9
102.05541	5.6
111.09191	0.9
114.05518	45.6
116.98583	0.9
119.01875	1.3
124.07599	4.9
127.03894	4.0
127.08753	0.7
128.02303	0.9
128.07071	2.6
129.06567	3.3
130.04980	1.4
139.03856	1.4
139.08665	2.1
140.07063	1.0
141.06560	0.8
141.10220	10.0
142.08624	6.7
145.03334	0.8
145.09708	1.8
146.99625	1.1
151.03906	1.2
151.08617	1.5
157.09731	4.7
168.06572	1.2
168.11307	2.9
179.03394	1.6
185.09203	100.0
186.07610	3.6
186.09433	0.9
191.03656	0.9
191.54187	0.9
196.10852	4.1
198.04666	1.0
200.04404	0.9
201.69443	0.8
203.10239	3.7
213.53452	1.7
214.11861	2.8
215.10223	2.0
240.13388	5.2
254.58839	0.8
258.14484	3.0
262.95755	0.9
268.12909	2.2
275.06165	1.0
286.13950	45.0
291.08392	0.8
304.05383	1.8
304.14969	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	303.0861
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
53.03964	0.4
55.01872	0.8
55.05505	2.0
56.96557	0.5
62.34983	0.4
65.03933	1.4
67.01866	0.6
67.05495	2.2
68.99780	2.9
69.03433	1.6
69.07068	1.1
70.71059	0.4
71.19897	0.3
71.38645	0.8
79.05493	1.5
81.03408	1.2
81.07053	2.5
83.01349	1.6
83.04972	2.2
85.20468	0.4
86.19612	0.4
89.03909	4.5
91.05460	2.4
93.03405	0.9
93.07046	1.5
95.04951	1.7
95.08582	2.4
97.02899	1.0
97.06523	0.6
97.10139	0.4
97.14268	0.3
103.05439	0.4
105.03329	0.5
105.07031	2.3
107.04932	2.3
107.08600	2.0
109.02873	1.1
109.06476	0.8
109.10151	1.9
110.97656	0.3
111.00805	1.8
111.04433	2.1
117.03357	5.8
117.07002	1.1
118.06593	0.3
118.65549	0.4
119.04944	0.5
119.08590	2.5
121.02845	2.3
121.06499	0.7
121.10146	1.5
123.04407	3.5
123.11658	0.4
125.02365	1.3
127.03882	0.7
131.04921	1.4
131.08560	0.9
133.10110	1.4
135.04398	12.2
135.07985	0.5
135.11633	0.9
137.02336	7.1
137.03378	0.7
137.05963	1.7
139.03911	2.2
139.05109	0.3
143.03391	0.5
145.02820	8.7
145.06442	1.0
145.10107	1.0
147.11638	1.5
149.02322	1.5
149.05991	0.7
151.03888	0.4
151.07520	0.7
153.01810	10.5
153.06958	0.5
155.04912	1.4
155.12769	0.4
157.06476	0.4
157.10139	0.4
159.04381	1.3
159.07954	0.5
159.11673	0.9
161.05975	0.9
161.13269	0.6
163.03885	49.5
164.04288	0.6
165.01826	4.5
165.05475	1.1
165.06883	0.8
166.02577	0.7
167.03380	67.7
168.03693	0.8
168.05667	0.4
171.11740	0.5
173.06030	1.8
173.13239	0.8
175.11180	0.4
175.14755	0.4
177.05371	0.7
179.03346	0.5
181.04907	0.4
183.02841	2.4
183.04414	1.2
183.07959	0.8
185.04443	3.4
185.05934	0.6
186.05438	0.4
187.03911	2.8
187.11137	0.5
188.07050	0.5
191.03310	0.4
193.04965	3.6
195.02896	0.5
196.05104	0.6
199.07463	0.7
201.05414	4.4
203.03435	0.7
205.04967	1.9
207.04396	0.5
211.07506	1.1
213.05421	0.5
215.10687	0.4
219.02806	0.5
219.06470	0.9
229.02779	0.7
229.04941	10.5
243.10104	0.7
247.06026	1.0
257.04437	6.2
257.15161	0.6
271.09583	0.9
274.04639	1.5
275.05264	0.5
285.03815	2.4
285.07404	1.8
285.18753	0.4
285.21936	0.7
303.04865	100.0
303.08508	57.1
303.22952	4.6
304.05219	3.2
304.08856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0859
Annotation	Dihydrokalafungin
Peak:m/z	Relative Intensity
53.03931	0.8
59.08368	0.6
62.17384	0.7
68.99771	1.6
77.00262	0.8
77.63990	0.6
79.01838	0.9
81.66721	0.6
83.01337	4.0
92.99757	8.1
95.08592	0.6
97.52557	0.6
98.21465	1.7
103.05453	3.9
104.99734	4.0
107.01343	1.2
109.02892	1.6
125.02336	13.3
131.04924	10.2
131.32176	0.6
137.02344	3.6
145.07741	0.7
152.06190	1.0
153.01816	100.0
153.07047	1.3
154.02132	0.9
155.04918	0.7
165.01840	1.3
166.99774	1.5
168.05626	1.4
171.02876	4.0
176.33200	0.7
179.04816	1.2
181.01306	44.7
181.06505	1.6
183.07922	0.7
196.05183	1.7
199.02362	47.0
201.05508	1.0
207.04330	5.0
211.07518	6.2
217.03535	0.8
217.98323	0.7
229.04997	1.1
229.35094	0.8
239.06944	5.4
257.04221	1.1
257.08054	14.9
267.06577	2.2
285.07538	6.3
303.04941	13.2
303.08331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.59798	0.1
55.01857	0.1
55.66376	0.1
67.01858	1.5
67.46249	0.1
68.99779	1.6
69.03423	0.3
70.58196	0.2
71.22988	0.3
77.03910	0.2
81.03405	0.3
81.07032	0.2
93.07002	0.2
95.04958	0.3
105.03379	0.7
109.02843	0.3
111.00773	0.6
117.06957	0.2
121.02834	0.5
125.02361	0.2
127.03875	0.7
129.01797	0.2
133.02840	1.0
135.04428	0.3
137.02322	2.0
139.03873	0.5
145.02869	0.3
145.06494	0.3
149.02322	0.3
151.03896	2.7
153.01810	9.7
154.02170	0.3
155.04875	0.5
155.06052	0.2
161.05984	0.3
163.03947	0.4
165.01834	0.9
166.02568	0.2
171.02913	0.9
171.04187	0.2
173.02339	0.5
173.05981	0.5
175.17419	0.2
177.01845	1.1
177.05489	0.3
183.02817	0.4
183.04391	0.5
187.03886	0.4
195.02922	0.4
197.83432	0.1
201.05380	1.6
203.03365	2.7
205.05019	0.2
211.03975	0.2
219.06476	0.2
229.04953	3.8
233.04579	0.2
234.05273	0.2
247.06018	0.2
257.04440	3.9
258.04907	0.3
274.04639	0.5
275.05511	0.2
279.05182	0.2
285.03937	1.7
303.04953	100.0
303.92850	0.2
304.05283	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.01857	0.2
55.05498	0.1
62.59789	0.1
63.05827	0.1
65.03926	0.6
67.01852	0.5
67.05479	0.3
68.99784	2.2
69.03427	0.2
69.07034	0.2
70.06519	0.6
70.06939	0.2
71.01352	0.2
73.67638	0.1
79.01855	0.2
79.05470	0.2
81.03393	0.8
81.07040	0.4
91.05460	0.3
91.78097	0.1
93.03381	0.6
93.07052	0.3
95.04943	0.9
95.08589	0.2
103.05415	0.2
105.03423	0.3
105.07000	0.3
107.01333	0.2
107.04919	0.2
107.08560	0.2
109.02851	1.2
109.10180	0.1
111.00795	2.2
111.04397	0.2
113.73497	0.2
115.05475	0.2
117.06985	0.3
119.08585	0.2
121.02863	2.1
123.04432	0.8
127.03920	0.5
128.06172	0.1
129.07024	0.2
131.04906	0.4
133.02811	0.2
133.06447	0.3
133.10103	0.2
135.04369	0.6
137.02333	7.9
137.03340	0.3
137.05928	0.2
138.02615	0.2
145.02806	0.2
145.06473	0.9
145.10066	0.2
147.04408	0.2
149.02371	0.7
153.01813	10.1
155.04910	1.1
157.06447	0.2
159.04414	0.3
161.06006	0.7
163.03897	1.5
165.00476	0.2
165.01828	3.8
166.02588	0.7
167.03232	0.2
171.04449	0.2
173.05977	1.6
175.11221	0.1
177.01883	0.2
177.05470	0.2
179.03358	0.5
183.02879	1.8
183.04431	0.9
187.03891	0.9
191.03366	0.4
191.06953	0.2
193.05028	0.2
195.02881	0.6
199.48853	0.2
201.05446	4.8
202.05824	0.2
205.04993	0.3
207.02802	0.2
211.03964	0.4
215.03252	0.3
219.02882	0.3
219.06442	0.4
228.04150	0.7
229.04935	9.2
230.05379	0.2
239.03416	0.5
245.04501	0.2
246.05318	0.2
247.06017	1.2
257.04437	5.9
258.04910	0.3
274.04718	1.4
275.05353	0.3
285.03934	2.0
286.04578	0.2
303.04965	100.0
303.22760	0.8
304.05283	4.1
304.10669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01862	0.4
65.03928	0.6
67.01864	0.4
67.05499	0.4
68.99409	0.2
68.99783	2.4
70.33892	0.7
81.03399	0.8
90.49735	0.1
93.03395	0.7
93.07101	0.2
95.04960	1.1
103.05428	0.2
105.03401	0.3
105.07023	0.3
107.04934	0.3
109.02858	1.1
111.00796	2.0
115.05470	0.2
117.03407	0.2
117.06998	0.4
118.60897	0.2
119.04885	0.2
119.08572	0.2
121.02852	2.3
123.04446	0.9
127.03903	0.6
131.04924	0.4
133.02855	0.2
135.04396	0.5
137.02332	7.9
137.03349	0.4
137.05986	0.2
145.02806	0.4
145.06461	0.8
149.02328	0.9
149.05870	0.2
153.01816	11.8
154.02200	0.2
155.04887	1.5
155.06021	0.2
159.04427	0.5
161.05963	0.9
163.03906	1.2
165.01823	4.0
166.02573	0.6
168.24432	0.2
171.02824	0.3
173.05994	1.3
177.01790	0.2
177.05458	0.5
179.03271	0.3
183.02879	1.8
183.04431	1.1
187.03900	1.2
191.03445	0.3
191.06940	0.2
195.02849	0.5
201.05455	4.7
203.03326	0.3
205.04938	0.6
207.02898	0.3
211.03850	0.4
213.05489	0.3
215.03429	0.2
219.02863	0.2
219.06493	0.6
228.04131	0.7
229.04945	10.3
230.05290	0.3
231.02910	0.2
232.03731	0.2
239.03365	0.6
245.04466	0.2
246.05215	0.2
247.05960	1.1
257.04437	5.8
274.04764	1.4
275.05435	0.6
285.03934	2.5
303.04968	100.0
304.05295	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05513	0.2
65.03934	0.6
67.01864	0.4
67.05490	0.7
68.99785	2.2
69.03400	0.2
69.07033	0.2
70.21365	0.8
79.05480	0.2
81.03413	1.0
81.07046	0.7
87.01863	0.2
91.05481	0.7
93.03391	0.6
93.07036	0.4
95.04953	1.2
95.08595	0.6
103.05448	0.2
105.03394	0.2
105.07027	0.6
107.04932	0.5
107.08578	0.4
109.02876	1.2
109.10155	0.5
110.03709	0.2
111.00779	1.7
117.06982	0.4
119.08553	0.5
121.02861	2.4
121.06476	0.2
121.10146	0.2
123.04450	0.9
123.08072	0.2
127.03901	0.5
127.05384	0.2
131.04970	0.5
131.08614	0.2
133.10101	0.3
135.04401	1.1
137.02339	7.9
137.03397	0.5
137.05995	0.4
139.05449	0.2
145.02805	0.3
145.06450	1.2
145.10129	0.3
147.11664	0.4
149.02367	0.9
149.06059	0.2
150.03030	0.2
151.03908	0.2
153.01814	10.9
154.02065	0.2
155.04912	1.3
157.06480	0.3
157.10147	0.2
160.05153	0.2
161.05966	1.0
163.03891	2.0
163.07593	0.2
165.01825	4.3
165.06915	0.2
166.02591	0.7
173.05969	1.7
177.05443	0.2
179.03459	0.4
183.02892	1.4
183.04413	1.3
183.07983	0.2
187.03883	1.6
191.03413	0.4
195.02864	0.3
197.05922	0.4
201.05450	5.6
201.09305	0.2
205.05002	0.4
211.03891	0.5
213.05432	0.5
215.03542	0.3
219.02896	0.3
219.06488	0.6
228.04219	0.6
229.04948	10.7
230.05371	0.3
232.03354	0.3
233.04596	0.2
239.03357	0.3
243.06396	0.2
247.05981	1.5
253.05051	0.2
257.04437	5.9
258.04846	0.3
274.04730	1.6
275.05374	0.6
275.16415	0.2
285.03909	2.7
285.07541	1.5
286.04495	0.3
295.36517	0.2
303.04971	100.0
303.22894	1.1
304.05319	4.7
304.08603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.39789	0.2
55.01859	0.4
63.67756	0.2
65.03930	0.5
67.01836	0.3
67.05491	0.3
68.99785	2.4
70.96393	0.3
70.96719	0.5
81.03404	0.7
91.05446	0.3
93.03389	0.5
95.04944	0.7
107.04901	0.3
109.02866	1.2
111.00180	0.2
111.00801	2.0
115.05389	0.3
117.03371	0.2
121.02874	2.2
123.04413	0.8
127.03914	0.4
131.04887	0.4
135.04434	0.4
137.02328	8.6
137.03348	0.5
145.06458	0.8
149.02304	0.7
153.01816	9.6
155.04883	1.1
155.06018	0.2
161.05977	0.8
163.03885	1.0
163.07471	0.2
165.01814	3.3
166.02621	0.5
173.04546	0.2
173.05927	1.4
177.01736	0.3
177.05511	0.3
179.03392	0.5
183.02873	1.5
183.04436	1.3
187.03918	1.0
187.43352	0.2
191.03398	0.5
195.02893	0.3
201.05460	4.5
205.05020	0.6
211.03848	0.3
219.02881	0.3
228.04147	0.7
229.04935	9.8
229.07233	0.5
230.05377	0.2
239.03349	0.6
247.05965	1.1
257.04419	4.7
274.04675	1.3
275.05475	0.4
285.03851	2.3
303.04965	100.0
304.05338	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.2
55.01861	0.4
55.05499	0.5
65.03949	1.0
65.67046	0.2
67.01857	0.3
67.05487	0.6
68.99786	2.5
69.03411	0.6
69.07047	0.4
70.75880	0.3
70.76240	0.5
71.01334	0.2
79.05486	0.4
81.03407	0.8
81.07038	1.0
83.04984	0.3
83.08595	0.2
91.05464	0.8
93.03388	0.7
93.07025	1.2
95.04975	0.9
95.08595	0.9
97.06516	0.5
103.69559	0.2
105.03375	0.3
105.07042	1.0
107.04931	1.2
107.08582	0.7
109.02879	1.2
109.06527	0.3
109.10134	0.3
111.00798	1.7
111.08073	0.2
113.26528	0.2
114.37973	0.2
115.05434	0.3
116.82397	0.2
117.07050	0.5
119.08588	0.6
121.02863	2.5
121.06468	0.4
121.10137	0.3
123.04463	0.9
123.11692	0.3
127.03889	0.8
128.06166	0.3
129.06949	0.3
131.04919	0.6
133.02841	0.3
133.06491	0.3
133.10132	0.6
135.04417	1.0
135.08028	0.4
137.02333	7.9
137.03358	0.5
137.05875	0.3
138.05502	0.5
138.09126	0.2
139.07544	0.3
143.64188	0.2
145.02869	0.3
145.06490	0.9
145.10097	0.2
147.04442	0.2
147.11722	1.1
149.02374	1.2
151.03908	0.2
153.01813	11.1
155.04889	1.2
155.06009	0.3
157.06487	0.3
157.08557	0.2
157.10126	0.3
161.05942	0.8
161.13197	0.2
163.03893	2.6
165.01833	4.2
165.07045	0.2
165.12790	0.4
166.02599	0.5
166.05043	0.6
167.03375	1.3
171.11716	0.2
173.06010	1.6
173.07407	0.3
175.11177	0.5
177.01852	0.3
179.03372	0.5
183.02895	1.7
183.04422	1.1
183.07990	0.3
185.05954	0.2
187.03868	1.0
187.14746	0.2
189.12675	0.2
191.03371	0.5
193.12271	0.4
195.02863	0.4
201.05432	4.9
202.05811	0.2
205.04944	0.5
207.02917	0.3
207.13815	0.2
211.03938	0.6
211.07440	0.4
213.05504	0.4
215.03532	0.3
217.12212	1.0
219.02988	0.4
219.06444	0.8
228.04150	1.0
229.04953	10.1
229.08301	1.1
230.05316	0.4
235.13248	0.6
239.03394	0.4
245.04395	0.2
247.06012	1.4
253.14383	0.2
257.04431	5.8
257.08118	0.5
257.13016	0.2
258.05185	0.3
271.09750	0.3
272.11487	0.2
274.04782	1.4
275.05374	0.5
285.03906	2.9
285.12122	0.3
303.04968	100.0
303.13196	2.0
303.23016	0.5
304.05298	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01881	0.4
65.03912	0.6
67.01865	0.6
67.05514	0.2
68.99783	2.5
69.03406	0.2
70.96091	0.5
81.03402	0.7
93.03400	0.7
95.04982	0.6
97.02858	0.2
98.21340	0.2
105.07025	0.2
109.02880	1.0
111.00779	1.4
117.07008	0.5
121.02848	2.1
121.37516	0.2
123.04409	0.7
127.03896	0.5
128.06166	0.2
129.07106	0.2
131.04936	0.4
133.02840	0.3
135.04387	0.6
137.02322	8.0
137.03345	0.5
145.06490	1.1
149.02290	0.5
151.03864	0.2
153.01810	11.4
154.02240	0.3
155.04872	1.4
159.04498	0.2
161.05931	0.8
163.03864	1.2
165.01831	4.0
166.02588	0.8
173.05928	1.5
177.05565	0.4
179.03334	0.5
183.02881	1.3
183.04433	1.0
187.03903	0.8
191.03349	0.4
195.02864	0.5
200.04402	0.3
201.05447	4.3
201.07315	0.2
205.04979	0.5
207.02806	0.3
211.03877	0.4
219.06549	0.6
222.36641	0.2
228.04172	0.7
229.04939	9.3
239.03561	0.3
245.04517	0.3
247.05968	0.8
257.04404	4.9
258.05136	0.2
267.02823	0.2
274.04758	1.3
285.03925	2.0
303.04962	100.0
304.05280	3.4
304.65497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
57.02167	0.2
65.03928	0.6
67.01854	0.3
67.05461	0.4
68.99778	2.7
69.03408	0.3
70.97907	0.4
71.01346	0.2
80.39874	0.2
81.03390	0.6
83.70254	0.2
93.03395	0.5
95.04935	0.7
105.03356	0.3
109.02836	0.9
110.03646	0.3
111.00775	1.9
117.07034	0.4
121.02856	2.5
123.04408	0.9
127.03901	0.5
129.07013	0.2
131.04904	0.6
133.02850	0.2
133.06537	0.2
135.04402	0.7
137.02336	8.1
137.03416	0.5
138.02634	0.2
145.06474	0.8
147.04327	0.2
149.02315	0.9
153.01814	10.9
154.02119	0.2
155.04916	1.2
155.05986	0.2
159.04425	0.6
161.05977	0.6
163.03877	1.6
165.01813	4.0
165.03203	0.3
166.02542	0.7
173.05977	1.8
177.01787	0.3
177.05449	0.3
179.03355	0.3
183.02869	1.7
183.04408	1.2
184.05269	0.2
187.03893	0.9
191.03363	0.3
195.02855	0.4
201.05453	4.7
205.04967	0.4
211.03891	0.4
213.05377	0.2
219.02908	0.4
219.06473	0.6
228.04175	0.8
229.04950	10.9
230.05266	0.5
239.03413	0.3
245.04572	0.2
247.06012	1.6
257.04425	5.6
258.04807	0.3
274.04742	1.4
275.05252	0.3
285.03928	2.6
303.04962	100.0
304.05298	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.56142	0.1
55.01866	0.6
65.03928	0.6
65.86868	0.1
67.01846	0.5
67.05481	0.3
68.99782	2.9
71.01345	0.2
81.03415	1.1
83.29656	0.2
93.03377	0.7
95.01254	0.1
95.04961	0.9
98.20671	0.3
100.91101	0.2
103.05412	0.2
105.03378	0.3
107.04923	0.2
108.48022	0.2
109.02856	1.5
110.03629	0.2
111.00794	2.1
115.05476	0.3
117.07000	0.7
121.02863	2.7
123.04423	0.9
127.03911	0.6
129.06975	0.2
131.04907	0.4
133.06474	0.2
135.04396	0.5
137.02325	9.9
137.03352	0.5
145.06471	1.1
149.02284	1.0
153.01805	13.0
155.04884	1.5
155.06004	0.2
159.04381	0.4
161.05980	1.0
163.03900	1.6
165.01828	4.7
166.02625	0.7
173.05978	2.1
177.01888	0.2
177.05481	0.2
179.03426	0.5
183.02863	2.1
183.04413	1.0
187.03928	1.2
191.03387	0.5
191.07106	0.2
195.02876	0.6
201.05446	5.9
203.03482	0.2
205.01115	0.2
205.05013	0.6
207.02943	0.2
211.03929	0.7
213.05472	0.5
215.03354	0.2
217.04907	0.3
219.02864	0.4
219.06473	0.7
228.04218	0.7
229.04935	11.2
232.03716	0.2
239.03452	0.7
246.05159	0.3
247.06000	1.4
257.04416	6.3
258.05099	0.3
274.04715	2.0
275.05420	0.4
285.03925	3.0
286.04715	0.3
303.04959	100.0
304.05243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.2
55.01859	0.4
65.03918	0.8
67.01857	0.4
67.05480	0.4
68.99786	2.5
71.01361	0.3
79.05470	0.4
81.03406	0.5
81.07036	0.3
81.88731	0.2
83.59392	0.2
84.06107	0.2
90.56832	0.2
91.05454	0.3
93.03378	0.8
95.04963	1.0
95.08595	0.2
96.73203	0.2
103.05473	0.2
105.03334	0.2
105.07030	0.4
107.04920	0.5
107.08599	0.3
107.13881	0.2
109.02872	1.2
109.10143	0.4
111.00790	1.8
115.05409	0.2
117.07018	0.6
119.08539	0.2
121.02864	2.1
121.06599	0.2
123.04410	0.7
125.09578	0.2
127.03898	0.4
129.06995	0.2
131.04907	0.4
135.04405	1.0
137.02332	7.7
137.03346	0.4
137.05951	0.4
145.06436	1.1
149.02359	0.7
153.01813	9.9
155.04871	1.2
157.06436	0.2
159.04381	0.3
161.05981	0.6
161.09613	0.2
163.03931	2.0
165.01845	3.8
166.02606	0.6
171.02902	0.2
173.05959	1.2
177.01825	0.3
177.05447	0.2
179.03398	0.4
183.02866	1.3
183.04401	1.0
187.03914	0.9
191.07045	0.2
195.02870	0.3
201.05455	4.8
205.04976	0.4
207.02917	0.2
211.03867	0.3
213.05466	0.2
215.03441	0.5
219.02827	0.2
219.06477	0.7
228.04134	0.5
229.04944	10.5
232.03687	0.3
239.03433	0.4
247.05980	1.4
257.04453	5.6
257.15201	0.2
258.04999	0.2
259.01126	0.2
274.04688	1.3
275.05380	0.4
275.16409	0.3
285.03897	2.8
285.18671	0.2
303.04965	100.0
304.05319	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05507	0.3
65.03915	0.6
66.78368	0.2
67.01853	0.4
67.05494	0.3
68.99779	2.3
70.83826	0.7
81.03404	0.8
83.08595	0.2
91.05469	0.2
93.03378	0.7
95.04947	0.8
100.11253	1.0
105.07054	0.3
107.22610	0.2
109.02863	1.4
109.10101	0.2
111.00789	1.9
111.04395	0.3
117.07014	0.4
121.02845	1.9
122.72630	0.2
123.04412	0.9
127.03893	0.6
129.06947	0.3
131.04907	0.8
133.06468	0.3
135.04379	0.6
137.02327	8.2
137.03339	0.3
141.11472	0.3
145.02802	0.2
145.06482	0.6
149.02306	0.7
149.06070	0.2
153.01817	11.3
155.04921	1.4
155.08603	0.2
155.11237	0.2
159.04510	0.3
161.05943	0.8
163.03897	1.2
165.01828	4.1
166.02635	0.7
173.05960	1.7
177.01689	0.2
179.03377	0.6
182.15363	0.3
183.02866	1.5
183.04424	1.1
187.03873	1.0
191.03345	0.4
191.07079	0.3
195.02736	0.4
201.05440	4.3
203.03403	0.3
205.05043	0.5
211.04016	0.4
213.05418	0.3
219.02896	0.3
219.06493	0.6
227.17561	0.2
228.04086	0.6
229.04950	10.2
232.03558	0.2
239.03532	0.4
243.10028	0.2
246.05095	0.3
247.05992	1.3
257.04419	5.1
274.04718	1.5
275.05536	0.4
285.03952	2.2
295.21021	0.2
303.04968	100.0
304.05295	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.38390	0.2
51.52531	0.2
55.01857	0.3
57.07087	0.2
65.03936	0.5
67.01876	0.4
67.05511	0.7
68.99788	2.3
69.03423	0.4
71.40727	0.7
72.70786	0.2
77.07657	0.3
81.03410	0.9
83.01334	0.5
86.59691	0.2
91.05491	0.6
93.03397	0.7
95.04945	1.0
95.08580	0.4
105.03353	0.4
107.04929	0.3
109.02864	1.4
109.10100	0.4
111.00802	1.8
117.06983	0.6
118.61566	0.3
121.02841	2.5
123.04410	0.8
127.03902	0.6
129.06950	0.3
131.04890	0.4
133.10100	0.3
135.04407	0.7
137.02327	7.3
137.03363	0.6
140.69487	0.3
145.02806	0.3
145.06474	0.7
149.02313	0.9
153.01817	10.8
155.04893	1.1
159.04401	0.4
161.05963	0.7
163.03870	1.4
165.01807	4.2
166.02563	0.7
173.05968	1.2
177.01877	0.3
179.03371	0.4
183.02872	1.6
183.04440	1.0
184.05223	0.3
187.03839	1.0
191.03429	0.4
193.85532	0.3
195.02899	0.6
199.02344	0.5
201.05449	4.6
205.04938	0.4
207.02789	0.4
211.03995	0.5
215.03424	0.3
219.06383	0.4
228.04164	0.7
229.04950	9.8
230.05348	0.4
239.03413	0.5
247.06065	1.0
257.04434	4.7
258.05151	0.4
274.04660	1.9
275.05429	0.3
285.03946	2.4
303.04971	100.0
303.23071	0.7
304.05353	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.8
57.79022	0.5
71.70238	0.8
81.07012	0.5
95.08578	0.7
98.97572	3.4
101.00854	0.7
101.32475	0.5
101.37756	0.5
116.98597	4.0
119.01911	6.3
120.02011	0.7
134.99655	3.4
137.02986	2.4
153.00716	1.0
158.99789	1.1
177.00940	13.6
178.01018	3.8
179.00624	3.4
180.00792	0.7
181.03537	0.6
201.00883	1.2
217.04027	2.2
218.03813	3.1
219.01988	25.1
220.02129	6.1
221.01759	6.8
222.01903	1.5
225.00984	2.1
226.01106	0.9
234.99756	0.6
242.03511	1.2
243.01859	5.3
244.02020	2.5
261.03030	100.0
262.03149	36.3
263.02820	8.2
266.03629	0.8
278.01157	0.6
279.00345	0.9
279.02945	0.6
282.99966	1.1
284.04697	4.7
284.99817	1.7
285.04810	2.9
286.04538	0.9
301.01077	2.0
302.01483	0.8
302.97617	0.9
303.00900	2.7
303.05368	8.6
304.05298	1.7
320.98288	1.1
321.04849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1429
Annotation	Galanganol A
Peak:m/z	Relative Intensity
50.85979	2.7
55.16300	2.8
83.04958	6.3
88.03336	3.1
91.05462	10.8
98.21467	5.9
99.25403	2.6
111.04424	3.6
115.05447	23.8
123.08018	3.1
131.07365	3.5
139.03912	3.8
139.07495	4.8
143.69621	3.0
152.59946	3.0
157.06462	5.4
167.07059	23.1
167.08383	4.9
185.71075	3.0
209.13281	5.0
222.10370	3.5
237.12703	10.3
240.11433	7.9
255.13783	12.0
262.59988	3.2
265.12149	6.7
268.10831	3.0
283.13272	100.0
284.13644	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
52.80927	1.1
53.03947	2.6
55.05503	11.8
57.07057	2.5
62.06086	13.9
63.06407	1.7
65.03942	1.8
67.05497	23.2
69.07069	11.4
69.37120	13.7
71.08616	2.1
79.05489	11.0
81.07053	19.6
83.01205	1.3
83.04969	2.3
83.08614	4.8
91.05472	12.6
93.07036	23.3
95.04971	2.5
95.08601	100.0
96.08928	2.1
97.10141	3.3
105.07018	21.4
107.04983	2.6
107.08588	26.6
109.06527	2.3
109.10151	17.0
110.10531	1.4
111.04447	3.2
111.11716	1.7
117.07011	4.3
117.36261	1.3
119.08573	25.9
121.06517	1.5
121.10134	21.5
123.08048	1.8
123.11704	7.5
125.05968	6.8
125.63783	1.3
129.07031	1.6
130.07745	1.2
131.08569	6.7
133.10118	18.7
135.11656	13.6
137.05989	2.5
142.07826	2.0
143.08545	6.4
145.10144	9.2
147.08046	1.2
147.11678	11.8
149.05914	1.5
149.13269	4.7
151.07477	2.3
155.08643	1.4
156.09367	1.8
157.10144	7.3
159.11659	10.3
161.09615	2.9
161.13245	7.6
163.14822	2.9
163.37086	1.3
165.09114	2.2
169.10123	2.9
171.11667	8.8
173.09665	2.8
173.13260	4.9
175.11282	1.7
175.14799	3.4
179.10664	6.0
185.13229	6.5
187.11130	4.1
187.14810	2.8
189.09132	1.6
189.12827	1.9
191.10521	1.9
196.06880	2.0
197.07124	1.8
199.11107	1.5
199.14821	5.3
201.12781	2.3
201.16391	4.6
203.10649	1.9
203.17897	5.1
205.12184	5.7
213.12672	3.3
213.16339	1.8
215.18146	1.6
217.12289	2.9
218.52724	1.3
219.13821	2.4
227.14288	2.4
231.13730	6.6
239.17990	1.7
241.19539	2.4
245.15376	4.7
255.21042	8.1
257.22601	1.4
258.05234	3.7
259.16995	2.1
265.19400	1.8
283.20602	9.8
286.04739	2.5
301.07016	11.0
301.13705	4.2
301.21634	56.3
301.28961	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	301.143
Annotation	Myrigalone A
Peak:m/z	Relative Intensity
63.71872	0.7
65.03937	2.5
67.05506	1.3
68.78729	0.7
70.78444	2.4
79.05473	1.9
81.07038	3.3
83.01321	4.6
83.04980	8.2
86.17886	0.7
90.42458	0.7
91.05474	73.3
93.07003	1.1
95.08588	1.8
98.20768	0.8
103.05451	2.0
105.07022	38.4
106.07368	0.9
109.06480	1.2
111.04433	3.5
115.05444	14.8
117.07007	4.5
120.25410	0.9
123.08067	7.0
127.07545	1.9
128.06215	1.6
129.06989	3.3
133.06480	1.7
135.08063	1.2
137.06015	1.0
139.03912	1.1
139.07504	4.0
141.06966	1.2
143.08557	3.7
149.05942	1.3
151.07532	23.0
155.08606	1.9
157.06468	4.2
163.07570	2.2
165.06941	1.9
166.07762	1.0
167.07054	17.5
167.08545	3.4
168.07814	4.3
169.08589	100.0
170.08925	1.6
177.05437	1.4
177.09027	1.3
179.07042	3.4
179.08551	4.6
180.09203	0.9
181.04971	1.5
181.10080	2.4
189.62550	0.8
191.07008	1.7
192.07877	1.1
194.10852	4.1
195.06488	1.2
195.11690	3.3
196.06847	2.4
197.07024	2.2
203.08499	1.0
204.09389	1.5
205.08589	3.7
207.07980	1.4
209.13249	7.5
212.11835	1.1
213.12813	1.9
219.11617	1.6
222.10400	7.6
223.09502	1.8
225.09044	1.8
227.10739	1.3
237.12720	10.8
240.11443	12.5
241.12099	1.5
250.09830	2.5
255.13733	10.1
265.12225	6.5
267.10101	4.6
268.10870	3.7
272.70218	0.9
283.13290	20.3
301.14316	95.3
302.14902	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	Onysilin
Peak:m/z	Relative Intensity
53.03933	2.8
55.01857	6.0
55.05494	7.2
56.96543	1.8
57.03406	3.1
58.36215	1.5
64.29105	1.6
65.03938	11.3
67.05492	15.5
68.99783	2.7
69.03409	3.2
69.07048	7.5
70.91493	3.3
70.91870	3.1
71.04987	3.4
79.05481	8.4
81.03400	3.1
81.07062	13.0
81.53591	1.8
83.01339	17.2
83.04964	5.2
83.08617	3.8
91.05476	18.5
93.03396	13.1
93.07037	17.5
95.04974	17.1
95.08617	16.8
97.02873	2.8
103.05471	9.3
105.03389	3.5
105.07014	10.9
107.04911	3.9
107.08586	9.4
109.02883	4.2
109.06494	3.0
109.10141	6.6
111.04414	4.1
117.07036	4.2
119.08619	8.5
121.06498	4.3
121.10124	7.5
123.04406	9.6
123.11680	3.0
125.09527	2.4
127.03876	3.8
129.05473	2.3
129.07048	4.5
131.04918	21.1
131.08527	5.6
133.02788	2.7
133.10110	6.1
135.04384	2.6
135.11667	5.4
137.02330	23.5
137.05957	3.0
139.03896	6.8
141.01779	3.1
143.08595	3.9
145.06500	1.9
145.10130	7.1
147.04362	2.3
147.11670	3.7
149.05972	10.2
149.09645	4.1
149.13277	3.4
151.03908	18.0
151.11110	1.9
152.06195	3.6
153.05470	2.2
153.06970	4.1
155.03316	3.0
155.08569	2.7
156.82382	1.9
157.06468	2.6
157.10092	5.0
159.08017	2.0
159.11667	5.1
161.02324	4.4
163.11174	4.4
165.07024	4.0
165.09131	4.8
166.07724	7.2
169.04948	13.5
169.06380	3.2
171.08064	2.7
171.11717	3.0
173.05960	5.0
173.09683	2.4
173.13257	2.4
175.11160	3.7
177.05467	31.9
179.01961	3.0
179.03391	37.1
181.04929	10.7
181.06464	6.4
181.10118	6.0
183.08087	2.2
183.11584	2.3
185.05919	3.2
185.13229	4.4
187.14824	3.2
194.07309	3.1
195.08057	4.8
196.05016	2.2
197.04430	76.8
197.05959	5.1
198.06714	3.3
199.07480	4.9
199.11186	1.9
201.16367	2.4
205.12267	3.1
209.05957	3.3
209.09535	4.5
211.03816	2.2
211.07455	3.8
212.08281	5.9
213.09088	4.3
215.05460	5.3
226.06219	5.7
227.07083	4.3
227.10640	67.4
237.09024	2.1
240.07704	6.7
241.08621	14.8
241.19431	2.1
255.10153	100.0
255.21321	1.9
256.10529	2.6
258.05219	3.9
265.08521	4.1
269.08109	3.0
283.09631	32.5
283.20581	3.1
286.04614	6.9
286.07956	5.8
291.72345	2.0
301.03372	5.1
301.07037	28.7
301.10626	57.9
301.13953	3.8
301.21683	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1068
Annotation	Onysilin
Peak:m/z	Relative Intensity
53.03938	3.0
55.01871	7.1
55.05497	5.8
57.03419	3.2
57.07056	1.5
65.03923	10.0
67.05502	18.3
69.03407	4.5
69.07057	4.0
69.35789	7.2
69.36214	9.0
71.04970	1.7
73.18457	1.4
79.05467	9.2
80.52067	1.2
81.03433	2.4
81.07053	13.1
83.01327	14.4
83.04990	7.0
83.08605	3.2
91.05476	14.3
93.03385	10.2
93.07043	12.1
95.04958	14.0
95.08599	12.2
97.02878	2.1
97.06493	3.4
103.05470	10.3
105.03392	5.5
105.07008	8.8
106.19050	1.3
107.04954	6.1
107.08559	8.1
109.02870	5.7
109.06516	1.6
109.10149	5.4
111.04488	2.1
115.05429	2.4
117.07030	3.5
119.08566	8.8
121.06495	5.1
121.10141	8.3
123.04417	8.6
123.11722	2.9
125.09630	1.9
127.03887	1.8
128.06284	1.5
129.05453	2.0
129.06972	3.1
131.04926	18.5
131.08557	6.2
133.10129	5.1
135.11685	6.7
137.02339	24.4
141.01828	3.9
143.08508	3.8
145.06358	1.4
145.10121	7.0
147.07988	1.7
147.11690	4.0
149.05939	6.7
151.03889	21.0
153.05534	2.1
153.06973	5.4
155.03386	2.5
155.08540	2.5
157.06508	3.3
157.10139	3.9
159.11673	4.5
161.09500	1.7
163.11160	4.5
163.14804	1.9
165.06993	5.1
166.07742	7.6
167.08588	2.3
169.04947	13.1
169.06383	2.7
169.75938	1.4
171.04372	1.7
171.07988	1.7
171.11627	2.7
173.05928	7.3
173.09608	3.7
173.13298	3.8
175.11241	2.0
177.05452	36.9
179.03389	35.3
179.04880	2.8
179.98651	1.4
181.04951	9.7
181.06483	6.1
181.10104	4.7
183.04373	1.6
185.05971	2.7
185.09544	1.7
185.13245	2.2
187.11275	1.7
187.14775	1.5
191.10655	3.1
195.08028	3.2
196.97214	1.6
197.04437	74.6
199.07568	4.8
199.11153	3.4
199.14748	1.8
201.16409	1.7
205.12187	1.9
209.05853	2.3
209.09595	6.6
209.11427	1.6
211.07504	3.1
212.08287	7.3
213.08960	3.4
215.05486	5.7
226.06270	2.5
227.07042	5.0
227.10646	75.8
231.13713	1.9
237.09131	3.0
240.07793	6.1
241.08627	9.3
241.19460	1.6
245.15298	2.6
255.10150	100.0
256.10526	3.1
257.29434	1.5
258.05215	6.7
265.08646	5.9
269.08105	3.4
272.63586	1.5
283.09625	39.4
283.20529	3.9
286.04620	5.7
286.07846	2.5
301.03488	3.5
301.07022	22.0
301.10678	41.3
301.16327	2.9
301.21704	18.4
302.11414	1.6
322.26901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	6-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.01862	1.0
55.05494	0.4
56.02634	0.6
57.07067	0.4
67.05489	1.1
70.04198	0.9
71.06825	0.3
79.05505	0.4
81.03419	0.4
81.07046	0.8
83.01350	0.4
83.08620	0.3
84.02105	1.2
85.02883	0.5
86.04841	0.3
88.07626	0.7
91.05469	1.3
93.07084	0.3
95.04960	0.6
95.08617	0.6
97.02853	0.5
98.03688	0.7
103.05439	0.9
104.45715	0.4
105.06992	0.4
109.02866	0.4
109.10164	0.5
111.04436	1.2
114.01870	0.3
123.04385	0.7
126.03124	1.8
127.03977	0.3
131.04927	1.0
139.03879	1.2
141.01843	0.8
151.03917	0.8
154.02597	4.6
166.95462	0.4
167.03387	0.4
169.01326	7.8
169.04933	1.0
182.02084	12.3
196.06926	0.5
197.04442	100.0
198.04778	1.4
200.03163	10.4
214.10432	0.3
286.08310	0.5
301.07303	0.4
301.10660	10.4
301.13913	0.8
301.21472	0.4
302.30469	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	6-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
50.58786	0.3
55.01853	1.2
55.05494	0.6
55.44641	0.2
57.03411	0.4
57.07047	0.3
60.05381	0.3
65.03933	0.6
67.01846	0.4
67.05481	1.0
68.99770	0.5
70.04189	0.6
70.06576	0.7
70.67208	0.9
81.07058	0.7
83.01324	0.5
83.04945	0.4
84.02113	1.6
85.02892	0.4
88.07613	0.8
91.05469	1.1
93.07024	0.3
95.04942	0.7
95.08595	0.7
97.02869	0.7
98.03666	0.9
103.05457	0.8
109.02887	0.4
111.04411	0.9
113.02384	0.7
121.10127	0.3
123.04410	0.7
125.09743	0.3
126.03115	2.7
127.03904	0.5
131.04875	0.7
139.03897	0.9
140.01033	0.7
141.01768	0.4
142.48064	0.3
151.03926	0.7
154.02603	4.9
167.03348	0.6
169.01295	7.8
169.04939	0.8
170.86221	0.4
182.02084	12.3
197.04437	100.0
198.04701	1.4
200.03148	11.9
238.67493	0.4
241.08479	0.3
255.37778	0.3
259.09705	0.5
284.29614	0.5
301.07364	0.7
301.10678	10.1
302.11035	0.4
302.30481	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	301.1068
Annotation	Onysilin
Peak:m/z	Relative Intensity
53.03925	1.5
55.01861	2.5
55.05504	3.6
57.03434	4.8
59.25217	0.7
64.92096	0.7
65.03921	2.3
65.34120	0.7
67.01848	2.0
67.05494	5.9
68.99766	1.6
69.03419	7.2
69.07050	2.8
70.24310	3.9
71.04971	2.1
71.05359	0.7
73.02908	1.3
73.06540	0.7
77.00243	0.9
78.50170	0.8
78.57190	0.7
79.05493	5.4
81.03378	1.5
81.07038	7.1
83.01328	0.9
83.04957	2.5
83.08600	1.8
91.01848	1.0
91.05479	5.9
93.03373	1.0
93.07045	4.4
95.04960	15.5
95.08588	4.8
97.06504	4.2
97.10155	1.8
103.05464	9.3
105.03402	0.9
105.07053	3.8
107.04945	12.3
107.08606	6.5
109.02837	2.1
109.06506	2.7
109.10139	2.3
111.08074	3.5
116.04687	2.3
117.07017	1.3
119.01337	1.7
119.03412	1.6
119.04883	0.8
119.08551	3.1
121.02838	1.7
121.06468	2.5
121.10117	2.4
123.04420	5.1
123.08087	1.4
123.11695	1.4
125.05949	1.3
125.09615	4.2
128.06163	0.9
128.58411	0.7
129.05464	7.4
129.06961	1.9
131.04916	30.5
131.08571	2.2
133.10110	2.9
135.04399	23.4
135.08041	2.0
135.11682	1.6
137.02322	3.3
137.05948	7.1
137.09631	1.7
143.07033	1.4
143.08528	1.6
145.10074	2.1
147.04362	1.4
147.08040	1.2
149.05959	3.1
149.09590	1.6
151.03897	89.6
152.04265	1.0
153.05531	4.0
153.06969	2.7
157.06392	1.7
157.08609	2.7
157.10063	1.8
161.05997	2.1
161.09579	1.4
163.03903	14.0
163.07494	2.8
163.11137	1.5
165.06979	1.6
167.08557	1.3
168.18317	0.8
169.04956	10.6
169.06372	1.3
171.08084	1.4
171.11691	1.1
174.06895	0.7
175.07530	2.8
177.05461	2.2
177.09088	4.0
179.03384	63.3
181.05107	3.9
181.06453	3.4
183.02931	1.1
183.08005	1.1
185.09586	1.4
187.07538	0.9
187.11163	0.9
189.05382	0.8
189.09081	4.1
189.11118	1.0
194.07198	0.9
195.08047	4.1
197.04439	100.0
198.04800	1.6
198.06750	1.0
199.07480	1.3
201.09177	1.2
203.07056	1.5
205.06520	0.9
209.05969	4.5
213.09119	4.8
215.01949	0.8
215.05476	3.2
215.10640	1.0
217.08498	1.4
217.12234	1.3
223.07462	2.9
226.06241	0.8
227.06915	1.2
227.10684	1.5
231.13803	1.0
233.06105	0.9
237.09064	1.4
241.08585	11.7
245.15465	1.4
251.07115	1.7
255.10155	3.0
255.13763	5.8
258.05185	2.6
269.08102	1.2
273.14777	9.3
283.06442	1.6
283.09665	30.6
283.13107	3.4
283.20306	1.0
284.09763	1.0
286.04733	2.2
292.37524	0.9
301.07074	7.8
301.10657	6.5
301.14279	14.9
301.21579	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	301.1067
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03922	0.5
55.01856	0.8
55.05498	1.0
57.03429	1.2
58.06150	0.3
65.03929	1.0
67.05494	3.5
69.03408	0.7
69.07052	1.3
70.27147	1.7
71.04970	1.0
77.83529	0.3
79.05496	3.6
81.03433	0.6
81.07066	2.4
83.01331	2.5
83.04975	0.8
83.08604	0.5
84.70781	0.3
86.69156	0.4
91.05469	10.5
93.07029	1.8
95.04945	2.8
95.08610	2.2
96.19399	0.3
97.02892	2.5
97.06516	2.1
97.10149	0.8
99.72457	0.3
105.03386	0.5
105.07014	1.4
107.04947	6.1
107.05632	0.3
107.08564	1.2
109.06497	0.4
109.10164	1.1
110.03701	0.4
111.00746	0.3
111.04441	0.5
117.06969	0.7
119.04932	21.4
119.08570	1.6
121.02831	0.6
121.06485	0.7
121.10118	1.2
123.04401	3.3
125.06004	1.2
125.09618	0.5
127.03909	0.7
129.05472	1.1
131.04898	1.2
131.08528	0.5
133.10110	1.3
135.04379	0.6
135.11681	0.7
145.10112	1.0
147.04395	49.8
147.11649	0.4
148.04709	0.8
149.13307	0.3
151.07555	0.9
153.05414	0.7
159.11646	0.7
161.05905	0.5
163.03891	0.4
163.11165	0.7
167.03317	0.4
167.05545	0.4
171.11636	0.6
173.05986	0.4
173.09619	0.4
175.07643	0.4
179.03354	1.1
179.06992	0.6
180.41994	0.4
181.04941	100.0
182.05260	1.8
189.05467	0.7
197.04442	1.2
199.06039	1.9
205.12123	0.6
207.06561	0.6
227.10666	0.8
229.07431	0.5
245.15588	0.5
255.10173	1.3
258.05298	0.7
283.09570	1.1
286.04733	0.5
301.03430	1.6
301.07285	3.4
301.10666	70.7
301.21667	2.8
302.04150	0.5
302.11029	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	301.1067
Annotation	Onysilin
Peak:m/z	Relative Intensity
53.03917	0.4
55.01874	2.0
55.05489	1.8
57.03419	1.1
57.52608	0.4
65.03918	1.7
65.15919	0.4
66.71431	0.3
67.01859	0.5
67.05508	2.7
68.99771	0.7
69.03413	0.9
69.07053	1.3
69.55601	3.0
69.56015	0.6
70.04183	0.5
70.48270	0.4
71.04961	0.5
74.44734	0.4
79.05473	1.8
81.03413	0.9
81.07053	2.4
83.01344	2.9
83.04976	2.1
83.08591	0.8
84.02110	1.2
84.08111	0.4
85.02892	0.6
91.05476	4.2
93.03389	1.7
93.07029	2.5
95.04968	2.5
95.08607	2.7
97.02865	1.1
97.06537	0.5
97.10168	0.8
98.03655	0.9
98.20628	0.7
103.05470	2.4
105.03362	1.3
105.07045	1.9
107.04965	0.9
107.08577	2.0
109.02865	1.1
109.10155	1.5
111.04422	1.2
113.02357	0.8
115.05431	0.7
116.04722	0.4
119.08562	1.8
121.02880	0.7
121.06499	0.8
121.10130	1.6
123.04411	1.7
125.05898	0.5
125.09657	0.5
126.03105	1.6
127.03893	0.8
129.05438	0.9
131.04910	3.9
131.08571	1.1
133.10121	1.6
135.11682	1.6
137.02341	3.2
137.05920	0.7
139.03870	1.2
141.01842	1.2
141.06975	0.6
143.08496	0.8
145.10133	1.1
147.11678	1.0
149.05994	0.9
149.09503	0.4
149.13260	0.5
151.03905	4.2
152.06206	0.7
153.06976	0.8
154.02612	2.9
155.08470	0.5
157.08678	0.4
157.10098	1.0
159.11685	0.8
161.05928	0.6
161.13248	0.5
163.11227	0.6
165.07002	1.0
169.01332	7.2
169.04976	2.1
171.08203	0.5
171.11699	0.9
173.05940	1.1
173.13174	0.6
177.05441	5.3
179.03394	5.2
181.04944	1.4
181.06421	0.7
181.10088	0.9
182.02094	11.3
185.06033	0.5
185.13182	0.4
195.08116	0.6
197.04445	100.0
198.04774	1.4
199.07617	0.7
199.11162	0.5
200.03146	17.7
209.09535	1.0
212.08292	1.3
213.12514	0.4
215.05457	0.6
227.07111	0.7
227.10649	10.9
227.12856	0.6
240.07790	0.9
241.08554	1.5
245.04301	0.5
255.10136	15.3
258.05264	1.2
259.09653	0.8
265.08563	0.6
265.19446	0.5
272.07956	0.5
273.08499	0.4
283.09656	7.5
283.20410	0.6
285.04105	0.8
286.04688	3.2
286.08270	1.6
301.03409	1.3
301.07065	8.1
301.10712	41.1
301.21472	3.6
301.24585	0.5
302.07455	0.6
302.10974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1067
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03938	1.3
55.01860	0.2
55.05506	0.4
55.28045	0.2
61.17458	0.2
67.05487	0.8
68.99783	2.8
69.07048	0.5
74.16684	0.2
79.05509	1.2
81.07040	0.6
83.01331	1.0
91.05454	0.4
93.07005	0.4
95.04968	2.0
95.08591	0.6
97.02883	1.3
97.06519	0.8
97.73599	0.3
98.21479	0.6
98.59306	0.2
105.03384	28.6
106.03710	0.4
107.04927	1.2
107.08566	0.4
109.06500	0.2
119.08540	0.3
121.10136	0.4
125.05968	0.8
133.10121	0.3
135.04393	0.3
135.11688	0.3
135.16132	0.2
137.05971	1.5
146.63452	0.2
147.04388	5.3
153.05435	0.5
155.07016	7.1
181.04941	100.0
182.05276	1.5
215.01883	0.9
300.29004	0.6
301.07010	1.1
301.10681	1.9
301.21503	0.7
301.29355	0.4
306.86441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1067
Annotation	Onysilin
Peak:m/z	Relative Intensity
53.03939	2.0
53.07280	0.6
55.01868	4.0
55.05515	1.3
57.03431	1.9
63.08530	0.5
65.03937	8.1
67.01874	0.8
67.05504	4.7
67.24604	0.5
68.99789	2.0
69.03431	1.3
69.38192	1.4
69.38597	4.7
79.05486	1.6
81.03402	2.1
81.07044	1.3
83.01337	16.0
83.04971	3.9
83.62581	0.5
91.05471	7.4
93.03400	8.2
93.07053	2.0
95.01299	0.6
95.04965	11.0
95.08612	1.3
97.02872	1.6
97.06525	0.9
98.21501	0.8
103.05468	7.9
105.03389	7.9
105.04496	0.6
105.07026	2.2
107.04913	0.7
107.08524	0.6
109.02866	4.7
109.10136	0.7
111.04443	1.4
116.04744	0.5
117.06987	0.7
117.14223	0.6
119.08599	0.6
120.96240	0.5
121.06532	2.8
123.04423	7.3
123.05302	0.8
125.09644	0.7
127.03899	1.2
129.05478	1.8
129.07034	0.9
131.04916	16.5
131.08577	0.7
132.10214	0.7
133.10115	0.8
135.04396	1.4
137.02332	22.1
141.01831	1.8
143.08525	1.6
145.06395	0.5
147.04436	0.6
149.05978	6.5
151.03897	18.9
153.05505	1.1
153.06964	2.3
155.03372	1.5
155.07014	0.8
157.06502	1.4
161.02316	3.9
165.06909	3.2
166.07794	5.6
167.08496	1.0
169.04947	8.6
169.06316	0.9
171.04352	0.6
171.08052	0.6
171.11629	1.0
173.05981	4.4
177.05466	32.9
178.05969	0.6
179.03386	34.9
179.08583	0.7
181.04950	25.7
181.10085	4.6
182.33763	0.5
183.08098	1.1
184.08900	0.6
185.05978	1.6
191.08595	1.3
194.07304	1.0
195.06459	1.0
195.07999	1.6
197.04442	58.8
198.02946	0.5
198.04742	0.9
199.07579	3.0
199.11218	1.5
209.05939	1.6
209.09584	4.9
211.07631	1.0
212.08292	6.2
213.09152	1.0
215.05449	4.5
225.09036	0.7
227.07002	3.8
227.10660	67.9
228.10957	1.7
237.09146	4.7
239.07120	0.6
240.07773	5.5
241.08565	4.2
245.08029	0.7
255.10152	100.0
256.10468	2.7
265.08661	3.8
283.09647	37.9
284.10022	1.0
301.03561	1.3
301.07333	1.4
301.10669	19.7
301.16074	1.0
301.21719	1.3
301.29184	0.9
302.04138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67277	0.5
56.96546	1.8
69.03419	0.5
70.54220	1.4
71.01334	1.0
73.02911	0.6
78.86569	0.5
83.01337	0.7
85.02887	0.7
88.02192	1.9
97.02866	0.6
98.97559	1.0
109.05153	0.7
112.07609	0.9
113.06647	0.4
116.98621	1.1
119.03500	0.9
121.05133	0.5
123.06734	1.0
127.06140	0.7
133.05092	1.0
134.02696	1.2
134.99622	0.6
136.06175	100.0
137.04570	1.8
137.06583	1.1
138.07733	0.8
139.03900	1.4
146.99663	0.7
148.06105	0.4
149.06996	0.6
150.07738	1.0
151.06149	3.4
152.05630	1.3
156.03294	0.7
164.05647	6.0
168.05095	0.5
168.08803	4.1
178.05649	0.8
178.07233	17.4
186.04399	0.9
190.07271	1.6
195.06560	2.1
196.06816	2.7
202.01633	0.5
202.03920	0.7
204.05444	1.3
213.07590	0.8
214.07916	1.2
235.57048	0.6
252.07140	3.6
254.08850	0.8
282.08423	1.5
300.06097	1.2
300.09412	4.9
300.13086	4.0
301.07147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	Champanone B
Peak:m/z	Relative Intensity
53.03935	4.3
55.01847	5.5
55.05508	11.4
57.03441	14.7
57.07029	3.4
63.57102	2.5
67.05505	30.8
68.99734	2.2
69.03410	5.1
69.07063	16.7
71.04967	5.2
71.71442	3.7
72.58517	2.0
79.05492	20.2
81.07049	76.0
83.01331	18.1
83.04519	2.9
83.04971	30.8
83.08586	5.4
85.06525	4.7
87.37985	2.2
87.97241	2.7
91.04944	2.9
91.05471	45.2
93.07040	16.2
95.04932	6.9
95.08604	18.9
97.06512	15.4
97.10165	3.4
99.08073	5.1
103.05438	2.2
105.03393	2.4
105.07014	31.7
107.04935	3.5
107.08595	10.8
109.02811	2.2
109.06479	11.6
109.10124	6.5
111.04417	4.9
115.05448	64.3
117.07000	7.2
119.08566	25.2
121.06515	2.2
121.10127	12.9
123.08007	2.4
123.11698	12.4
124.05183	2.4
125.05988	28.6
127.07558	17.5
128.06184	9.6
128.73352	2.5
129.06992	26.3
131.04895	3.5
131.08546	3.0
133.06432	2.6
133.10138	11.6
134.32042	2.1
136.06136	2.4
137.05919	3.2
137.13220	3.4
139.03845	5.2
141.06960	8.6
142.07803	4.5
143.03336	2.3
147.11678	58.9
149.05971	6.4
151.11133	2.6
152.04659	4.0
153.01796	17.2
153.05408	4.8
153.06866	3.5
155.04877	5.2
155.06059	3.0
155.08554	20.6
157.06479	74.2
157.10115	58.3
159.07983	2.6
165.07024	12.1
165.12749	35.2
167.03369	3.3
167.07004	6.5
167.08531	5.2
169.06491	6.9
171.11668	3.3
175.07573	2.6
175.11227	5.7
177.05365	5.3
178.07713	5.5
179.03284	3.0
179.08485	7.2
181.06488	2.8
181.10052	2.8
183.08044	27.3
183.11623	9.8
191.08469	3.3
192.09238	7.7
193.06404	10.4
193.10077	8.8
193.12166	7.8
195.06522	94.5
195.07999	3.4
197.15385	3.9
207.11662	8.3
211.07530	100.0
211.11041	27.0
213.05681	4.2
213.07559	41.9
220.08775	3.5
221.09477	4.5
225.12772	5.3
235.11168	13.6
239.10664	27.9
253.12219	10.2
257.11655	3.5
263.10706	11.8
281.11676	29.4
299.09247	5.7
299.12665	75.8
299.18600	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	299.1275
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
53.03927	0.2
55.01854	0.2
55.05490	0.2
55.93510	0.5
56.96548	0.2
57.03419	0.2
57.07055	0.2
65.03925	0.2
67.01850	0.3
67.05480	0.3
68.99785	0.6
69.03419	0.5
69.07035	0.3
70.95852	2.0
71.72028	0.3
72.93764	0.6
79.05487	1.8
81.07049	17.0
83.01332	13.9
83.04974	2.5
87.46856	0.1
88.96893	0.6
89.34484	0.2
90.94832	0.3
91.05479	1.2
93.07044	1.3
95.04965	0.4
95.08591	0.2
96.05737	0.2
97.06524	2.0
98.97585	0.4
99.08090	1.0
103.05457	1.0
105.03378	0.4
105.06989	0.5
107.04932	0.3
107.08597	0.2
109.06501	6.5
110.03639	0.2
111.04428	1.8
111.98444	0.1
116.98615	0.4
119.01881	0.3
119.08540	0.4
120.02007	0.3
121.01639	0.2
121.06538	0.9
123.08006	0.3
124.05175	0.8
125.02317	0.2
125.05980	5.5
127.07542	14.7
131.04913	2.1
132.95808	0.3
134.99608	0.4
135.04411	0.6
135.11661	0.1
137.02919	0.2
137.05910	0.2
139.03880	0.6
139.07573	0.5
143.03384	0.3
149.05969	5.1
150.96869	0.9
151.03902	0.4
151.07529	0.2
152.04668	4.2
153.05455	4.5
157.04974	0.5
157.06259	0.1
165.05539	0.2
167.03380	3.5
167.07036	2.9
169.05005	0.2
173.98360	0.2
177.05464	4.5
177.06996	0.2
180.04173	1.5
180.88795	0.4
190.94870	0.3
191.94962	0.9
192.94612	0.2
195.06511	100.0
196.06882	1.5
198.05280	1.1
198.89983	0.2
203.90385	0.4
208.95915	0.7
209.96002	2.1
210.95752	1.1
213.07559	36.1
214.07950	0.6
214.09894	0.3
215.10629	0.4
221.08206	0.2
224.87698	0.2
225.95515	0.2
232.95750	0.3
233.95935	1.5
234.95842	0.5
239.10680	0.2
240.90898	0.4
248.94943	0.2
250.96974	0.5
251.97083	2.3
252.89415	0.5
252.96796	1.1
257.11633	1.4
257.96207	0.5
267.96027	0.2
274.96570	0.7
275.90701	0.5
275.97119	5.5
276.96872	2.1
292.98132	0.5
293.98181	2.6
294.97876	1.0
297.98965	0.2
298.98929	0.9
299.12747	50.8
299.98456	0.4
300.13095	1.4
316.99814	0.7
317.99402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	5,7-Dimethoxy-6-methylflavanone
Peak:m/z	Relative Intensity
53.03936	0.3
55.01876	0.5
55.05518	0.5
57.03428	0.5
57.37114	0.2
58.59026	0.2
67.05495	0.9
68.99786	0.3
69.03417	0.5
69.07063	0.4
70.31121	0.4
70.31537	0.9
71.05020	0.2
75.56853	0.2
79.05476	1.2
81.03405	0.3
81.07063	2.5
82.04198	0.3
83.01336	2.6
83.04975	0.8
90.58581	0.3
91.05463	2.0
93.07048	1.0
95.04958	0.6
95.08595	0.6
96.05750	0.5
97.02959	0.2
97.06531	0.7
103.05483	1.5
105.07031	0.5
107.04925	0.4
107.08580	0.6
109.06502	2.2
109.10139	0.5
110.20991	0.2
111.04426	0.6
119.08587	0.8
121.06517	0.3
121.10170	0.3
123.04418	0.3
123.08018	0.2
124.05196	3.9
125.06010	0.7
127.07561	1.2
131.04909	1.8
133.10175	0.5
137.05971	1.0
139.03882	2.7
139.07567	0.7
149.05943	0.5
152.04663	2.3
153.01810	2.3
153.05443	0.3
157.10225	0.3
161.09610	0.4
163.03807	0.3
165.05431	1.1
167.03384	14.2
167.07027	0.9
172.65701	0.3
177.05495	0.4
179.03403	0.3
180.02579	0.4
180.04164	6.0
195.06514	100.0
196.06854	1.5
197.04378	0.3
197.14990	0.2
198.05215	4.4
199.14664	0.2
207.06496	0.3
211.07391	0.3
211.10945	0.3
213.07529	3.1
239.06985	1.0
239.10605	0.3
242.05577	0.4
257.07831	0.3
257.11682	0.6
267.08975	0.3
283.09650	0.5
285.07495	2.0
299.05713	0.7
299.09494	0.8
299.12708	14.5
299.19958	0.7
300.09851	2.1
300.12967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
52.74358	0.4
53.03925	0.4
54.00058	0.4
60.04086	0.4
67.05466	0.6
68.99787	0.7
69.03429	0.4
69.51003	4.3
79.05470	2.4
80.39820	0.4
81.07050	21.5
83.01337	16.9
83.01835	0.9
83.04967	3.2
91.05470	1.5
93.07002	2.2
97.06509	1.6
99.08077	1.0
103.05447	0.8
105.07037	0.6
107.04955	0.4
109.06512	8.0
111.04455	2.2
121.06473	1.6
125.02390	0.5
125.05989	6.2
127.07551	18.6
131.04961	2.2
135.04456	0.7
139.03893	0.7
139.07561	0.7
149.05968	6.4
151.03844	1.1
152.04674	5.5
153.05447	6.4
157.05011	0.7
163.03957	0.5
166.95375	0.4
167.03404	1.3
167.07091	3.0
177.05450	5.4
180.04167	0.8
193.41808	0.4
195.06514	100.0
196.06854	1.2
202.95859	0.4
213.07567	34.2
215.10713	0.7
257.11676	1.2
299.12753	61.3
300.13113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
51.01495	0.4
51.45542	0.5
51.77634	0.5
59.31343	0.6
64.55740	0.5
67.01832	0.9
69.65453	4.2
79.05474	2.1
81.07049	20.8
83.01332	15.1
83.04967	2.9
90.77038	0.5
91.05440	0.9
93.07035	1.5
97.06497	1.8
99.08057	1.1
103.05428	0.8
107.04942	0.5
109.06504	6.7
111.04406	2.4
119.44382	0.5
121.06490	1.0
125.05977	6.9
127.07545	17.8
131.04895	1.9
135.04350	0.5
139.03906	0.5
139.07483	0.7
149.05949	5.2
152.04678	4.2
153.05447	4.8
157.04893	0.6
167.07025	2.2
170.45731	0.5
177.05455	5.5
180.04172	0.6
195.06511	100.0
196.06834	1.6
213.07568	28.9
214.07884	0.7
257.11624	1.0
299.12747	58.0
300.13129	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1274
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
54.16529	0.4
54.75106	0.4
54.91622	0.4
55.05494	0.5
56.90681	0.4
68.43311	0.5
69.50770	4.6
69.51090	0.4
79.05487	2.4
81.07050	18.7
83.01330	14.3
83.04990	2.1
83.23433	0.5
91.05476	0.8
93.07026	1.6
95.00684	0.5
95.04961	0.5
97.06515	1.6
99.08060	0.9
103.05471	0.6
106.59849	0.4
109.06516	6.6
111.04447	2.2
117.14249	0.5
121.06489	0.8
125.05978	5.6
127.07545	16.4
128.77496	0.4
129.04507	0.5
131.04909	1.5
135.04407	0.7
149.05975	5.5
152.04677	5.2
153.05472	4.6
167.07060	2.5
177.05457	5.3
180.04187	0.5
195.06517	100.0
196.06839	0.7
213.07565	28.7
214.07899	0.6
257.11807	1.2
299.12762	62.9
300.12976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	5,7-Dimethoxy-6-methylflavanone
Peak:m/z	Relative Intensity
54.78591	0.2
67.05470	0.3
69.03417	0.3
69.99776	0.6
70.00198	0.8
78.56938	0.2
79.05502	0.4
81.03437	0.3
81.07043	1.3
82.04204	0.3
83.01334	2.1
83.04968	0.6
91.05471	1.4
95.04953	0.5
96.05750	0.9
98.21344	0.5
103.05465	1.4
109.06498	2.1
121.06491	0.2
123.04428	0.3
124.05201	4.5
127.07506	0.3
131.04939	1.4
137.05952	0.8
139.03894	2.9
139.07515	0.5
149.05998	0.6
152.04680	5.0
164.37300	0.3
165.05528	1.1
167.03394	17.0
167.07022	0.6
179.03369	0.5
180.04167	9.6
191.83708	0.2
195.06516	100.0
196.06857	1.1
198.05229	3.5
213.07559	0.5
257.11661	0.6
285.45334	0.3
286.92325	0.2
299.12756	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	299.1275
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
52.74424	0.4
68.99786	0.5
69.45815	4.0
79.05476	1.5
81.07053	10.3
83.01335	8.4
83.04974	1.5
91.05456	1.0
97.06545	0.8
99.08090	0.5
103.05455	1.3
109.06519	3.8
111.04423	0.8
121.06487	0.7
123.04421	0.5
123.86782	0.4
124.05186	1.9
125.05981	4.2
127.07545	8.3
131.04866	2.1
135.04459	0.5
139.03912	1.3
144.91606	0.4
149.05968	2.5
151.50548	0.4
152.04663	4.4
153.05432	3.0
162.67230	0.5
167.03410	5.4
167.07004	2.1
174.29424	0.4
177.05489	3.0
180.04135	4.0
188.09813	0.4
195.06523	100.0
196.06863	1.4
198.05287	1.1
213.07578	14.0
257.11655	1.1
298.61826	0.4
299.12778	37.1
300.13034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	(plusmn)-Enterolactone
Peak:m/z	Relative Intensity
53.03923	0.7
54.53610	0.5
67.05493	0.6
68.08629	0.4
68.99754	1.0
69.03414	1.1
69.71086	3.8
70.63115	0.4
79.05499	3.8
81.07048	28.7
83.01334	19.5
83.01833	1.0
83.04976	4.9
89.47440	0.5
91.05448	1.7
93.07030	2.4
95.04964	1.2
97.02831	0.6
97.06535	2.5
99.08088	1.4
103.05492	0.5
109.06513	9.3
111.04433	2.8
121.06486	1.8
124.05277	0.5
125.02361	0.6
125.05980	8.2
127.07545	20.0
131.04903	1.6
135.04396	0.6
140.69846	0.5
143.03349	0.5
149.05937	7.7
151.03941	0.7
152.04660	6.8
153.05457	6.1
157.05031	0.7
167.07021	3.0
177.05444	7.0
177.06825	0.8
180.04105	0.8
186.88637	0.5
195.06512	100.0
196.06871	1.3
200.73090	0.5
213.07567	30.2
256.79813	0.5
257.11716	0.9
270.95581	0.5
296.50171	0.4
299.12750	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1274
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
52.39547	0.2
53.03936	0.5
55.63010	0.2
57.03423	0.2
59.37361	0.2
67.01844	0.2
67.05482	0.2
68.99770	0.8
69.03392	0.4
69.38467	1.5
69.38892	0.6
71.04974	0.2
75.82597	0.2
76.79639	0.2
79.05099	0.2
79.05488	2.4
81.07047	21.6
82.07328	0.2
83.01332	16.1
83.04973	3.0
87.92946	0.2
91.05476	0.6
93.07034	1.4
95.04946	0.4
97.06516	1.9
98.21428	0.5
99.08068	0.6
103.05447	0.5
105.07004	0.3
107.04915	0.3
109.06509	7.3
111.04417	1.9
117.46938	0.2
121.06483	0.9
123.08022	0.2
124.05174	0.3
125.05984	6.5
127.07542	17.5
127.93238	0.2
131.04912	1.1
135.04384	0.7
139.03899	0.4
139.07562	0.5
141.46146	0.2
143.02225	0.2
143.03368	0.3
149.05963	5.9
151.03940	0.4
152.03503	0.4
152.04672	4.9
153.05447	4.9
157.04990	0.3
167.03304	0.3
167.07025	2.4
177.05457	5.5
178.54350	0.2
195.06509	100.0
196.06870	1.4
198.05272	0.2
213.07558	29.2
214.07883	0.6
215.10704	0.2
257.11667	1.6
287.38034	0.2
299.12747	59.7
300.13071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
54.24561	0.4
55.05477	0.5
60.56855	0.4
61.37952	0.4
62.30819	0.4
68.99821	0.5
69.03439	0.6
69.39295	2.8
69.39731	2.2
79.05482	2.4
80.93804	0.4
81.07052	21.6
83.01339	17.1
83.04980	2.8
83.06290	0.4
85.21098	0.4
91.05492	1.2
93.07034	1.9
95.08612	0.6
97.06506	2.0
98.21487	0.9
99.08080	1.5
103.05450	0.7
109.06510	6.2
111.04430	2.3
121.06499	1.3
125.05988	7.4
127.07549	17.2
131.04909	2.2
139.03867	0.6
139.07550	0.9
146.93346	0.4
149.05977	5.2
151.03838	0.7
152.04668	5.4
153.05461	5.1
167.03407	2.0
167.07025	3.1
177.05449	5.8
195.06522	100.0
196.06830	1.5
213.07568	33.0
214.07967	0.5
216.79108	0.4
244.96568	0.4
257.11646	1.4
274.63928	0.5
279.79834	0.4
299.12762	58.1
300.12994	1.6
307.58289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	(plusmn)-Enterolactone
Peak:m/z	Relative Intensity
68.99796	0.7
69.03352	0.7
70.36614	2.0
79.05473	2.5
81.07050	24.5
83.00867	1.1
83.01335	16.7
83.01828	0.8
83.04974	3.7
91.05502	0.5
91.62294	0.5
93.07029	1.9
97.06513	1.4
98.21409	0.8
103.05428	0.8
109.06516	7.2
111.04406	2.3
125.05979	8.8
127.07542	17.1
131.04924	1.8
149.05977	6.8
152.04672	5.7
153.05449	6.5
161.26511	0.6
167.07018	2.5
177.05446	4.9
195.06514	100.0
201.70345	0.6
207.36047	0.5
213.07562	26.4
257.11823	1.5
272.74500	0.6
299.12750	51.6
300.13052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1273
Annotation	5,7-Dimethoxy-6-methylflavanone
Peak:m/z	Relative Intensity
53.03941	0.2
55.01868	0.3
65.57747	0.2
67.05491	0.3
68.99770	0.1
69.03423	0.2
69.07088	0.2
69.51735	0.1
71.71616	0.2
71.72024	0.2
79.05469	0.6
81.03377	0.2
81.07045	2.4
82.04197	0.2
82.11140	0.1
83.00860	0.3
83.01328	2.7
83.04958	0.5
91.05463	1.4
93.07039	0.4
95.04967	0.8
95.08602	0.2
96.05721	0.5
96.58492	0.1
97.06537	0.3
98.20838	0.1
103.05453	1.6
105.03371	0.6
105.06998	0.3
107.04831	0.2
107.08562	0.2
109.02928	0.1
109.06504	2.1
109.10134	0.2
110.03606	0.2
111.04373	0.3
119.08536	0.3
121.06475	0.5
123.04485	0.2
124.05202	3.2
125.05994	1.1
127.07537	1.6
131.04913	2.1
137.05957	0.6
139.03893	2.2
139.07532	0.4
145.10103	0.2
149.05916	0.7
152.04662	3.8
153.05457	0.7
165.05473	1.2
167.03386	14.8
167.07060	0.8
177.05461	0.5
179.03291	0.3
180.04153	9.4
195.06503	100.0
196.06848	1.1
198.05205	4.0
207.06505	2.3
208.07388	0.2
213.07549	3.5
213.09436	0.3
257.11719	0.5
266.09338	0.2
283.09634	2.5
284.10364	2.3
299.12738	53.4
300.13013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
53.03928	0.5
67.05474	0.7
68.99788	0.7
71.26669	0.6
71.27005	0.8
78.44594	0.4
79.05484	1.7
79.84321	0.4
81.07053	19.8
83.01338	15.2
83.04977	3.7
91.05443	0.6
93.07033	1.4
97.06519	1.6
99.08051	0.8
103.05467	0.8
105.03387	0.5
105.34056	0.4
109.06506	7.5
111.04433	1.5
121.06470	0.9
125.05987	5.8
127.07549	17.6
131.04909	1.2
135.04378	1.0
139.03851	0.7
139.07529	0.5
149.05968	6.2
151.03984	0.6
152.04672	5.3
153.04338	0.7
153.05441	3.8
167.03407	0.6
167.07039	3.2
177.05434	4.8
195.06523	100.0
196.06885	1.5
207.49384	0.5
213.07570	29.2
239.10243	0.5
257.11722	1.4
264.41205	0.5
299.12762	64.1
300.13098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1274
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
53.03944	0.7
55.93468	0.4
61.73297	0.3
67.05496	0.5
68.99773	0.6
69.03416	0.9
69.07042	0.4
69.24467	0.3
70.37349	1.6
79.05485	2.8
81.07050	22.7
83.01334	16.5
83.04984	3.4
91.05472	1.0
93.07027	2.2
95.04926	0.5
95.08612	0.3
96.45098	0.3
97.06518	2.2
98.21425	0.3
99.08058	0.9
103.05460	0.3
105.03369	0.4
105.07023	0.7
107.04969	0.7
109.06516	7.4
111.04460	1.9
116.95926	0.3
121.06505	1.2
125.05978	6.8
126.47698	0.3
127.07544	17.0
131.04907	1.6
135.04399	0.6
139.07550	0.7
143.03430	0.4
149.05968	6.2
151.03879	0.7
152.04671	5.7
153.01772	0.4
153.05460	5.6
155.23463	0.3
157.05058	0.4
167.07016	2.8
171.08063	0.3
177.05447	4.9
180.04280	0.5
195.06514	100.0
196.06888	1.4
213.07559	32.3
214.07860	0.6
214.09787	0.5
246.65756	0.3
257.11777	1.4
299.12747	55.7
300.13156	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	299.1274
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
53.03934	0.9
55.05500	0.9
65.03933	0.7
67.05483	1.6
68.13200	0.6
68.99792	1.2
69.03406	1.4
69.07067	0.8
79.05490	5.1
81.07049	27.4
83.01337	21.5
83.04978	3.0
91.05470	16.7
93.07020	2.4
95.04952	1.2
95.08614	0.6
97.06542	3.6
98.20721	1.9
99.08073	1.5
103.05469	1.4
105.07010	1.5
109.06509	10.1
111.04446	3.6
121.06493	2.1
125.02342	1.5
125.05981	7.7
127.07543	20.5
131.04915	2.8
139.03880	0.7
139.07474	1.0
143.03429	0.8
143.51944	0.7
149.05978	7.3
152.04684	6.0
153.01851	0.9
153.05449	6.4
167.03392	0.8
167.07030	4.7
177.05486	7.1
186.59293	0.6
195.06514	100.0
196.06876	1.4
213.07565	33.5
257.11694	1.2
271.13272	0.7
271.22269	0.6
299.12744	74.6
299.19864	1.6
300.13107	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	299.0912
Annotation	Alfalone
Peak:m/z	Relative Intensity
53.03931	0.9
53.11053	0.3
55.01858	0.4
55.05503	0.5
57.07049	0.3
67.01871	0.5
67.05478	0.4
68.99785	0.4
69.07066	0.4
70.25764	0.5
70.26179	0.9
73.15984	0.3
79.05475	1.6
79.28666	0.2
80.70486	0.3
81.07053	2.2
82.52999	0.3
83.01323	1.2
83.04973	0.7
91.05485	1.2
93.07034	1.1
95.04958	1.3
95.08604	0.3
98.20792	0.4
101.55321	0.3
103.05455	0.4
105.07024	0.7
106.66329	0.3
107.04945	100.0
107.08579	0.7
108.05268	1.2
109.06504	0.8
109.10154	0.3
109.14808	0.3
115.05431	0.3
119.08566	0.6
121.06522	0.4
121.10123	0.4
125.05988	1.2
127.07561	1.2
129.07043	0.5
129.27829	0.3
131.04890	0.8
133.10139	0.5
135.08052	0.3
137.05994	0.5
143.08585	0.5
147.04398	0.5
147.11685	0.3
149.06001	0.3
151.03871	0.3
152.04665	0.3
153.01826	1.8
153.07059	0.3
155.04953	0.3
155.08531	0.5
157.06546	0.4
157.10059	0.4
158.10542	0.3
159.11632	0.4
168.05762	0.4
169.06506	0.4
175.11160	0.4
177.05540	0.4
181.06473	0.3
192.04170	1.3
193.04953	35.8
194.05371	0.5
195.06511	7.9
196.05247	0.4
207.04497	0.4
211.07529	1.1
213.07567	2.0
217.12527	0.3
218.84846	0.3
225.12476	0.3
235.13257	0.3
239.06985	1.1
239.14415	0.5
257.04803	0.3
267.06512	0.4
281.18918	0.4
285.09912	0.4
299.09140	56.5
299.12659	4.0
299.20084	0.8
300.06482	0.3
300.09296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
67.05489	0.8
68.99784	0.8
69.03416	0.8
69.07063	0.5
70.63577	1.9
74.36221	0.5
79.05479	4.4
81.07047	35.5
83.01334	21.8
83.04979	4.2
85.65861	0.5
91.05456	1.3
93.07040	2.2
95.04962	0.7
97.06504	3.4
99.08074	1.9
103.05456	1.0
105.03327	0.5
105.07043	0.6
109.06509	12.0
110.07142	0.6
111.04424	2.8
121.06483	1.9
121.07506	0.4
122.07156	0.5
125.05989	9.3
127.07544	24.9
131.04930	2.1
135.04327	0.5
136.08740	0.5
139.03905	0.6
139.07544	0.4
149.04865	0.8
149.05972	8.9
151.03918	1.0
152.04691	8.9
152.09346	0.5
153.05450	7.3
157.04897	0.5
163.09773	0.6
167.03375	1.6
167.07016	3.7
177.05438	7.3
180.04088	0.9
195.06514	100.0
196.06859	1.6
202.10953	0.6
210.10266	0.5
213.07562	49.7
214.07935	1.0
215.10655	0.5
257.11719	1.3
299.12747	73.5
299.37662	0.5
300.13248	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	299.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
61.58327	0.3
67.05479	0.6
69.03403	0.9
76.39126	0.3
79.01839	4.8
81.07043	1.0
83.01309	0.4
83.04971	2.6
85.02879	0.7
93.07076	0.3
97.02880	1.0
105.03448	0.4
107.01287	0.8
107.04927	0.4
111.04429	3.5
118.53779	0.3
125.02318	3.6
125.05939	0.5
127.07520	0.7
129.05453	0.3
133.10088	0.3
143.03380	7.7
145.06436	0.6
145.11142	0.3
153.01808	100.0
153.02724	3.9
154.02151	1.8
157.64622	0.3
167.06976	0.4
173.05928	0.5
179.03398	1.3
181.01309	1.4
189.05443	0.5
193.05028	0.4
195.02827	0.6
195.06517	4.2
201.05447	1.0
207.02879	3.6
207.06369	0.3
213.07556	0.8
215.08640	0.4
219.06512	2.6
221.04408	0.9
223.02315	0.8
235.06038	0.5
237.03876	0.5
245.04323	0.6
254.76497	0.3
263.05530	1.2
281.06473	2.3
299.09024	0.8
299.12708	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.091
Annotation	Alfalone
Peak:m/z	Relative Intensity
50.13412	0.3
51.02375	0.3
53.03923	0.9
55.01871	0.3
60.70730	0.3
67.01868	0.5
67.05508	0.5
68.99779	0.8
69.03400	0.4
71.71593	0.4
79.01849	1.0
79.05461	1.3
81.07043	0.8
83.01320	0.4
83.04949	0.9
85.02859	0.4
91.05482	0.5
93.07021	0.4
95.04953	1.5
105.04516	0.5
107.04941	100.0
108.05254	1.8
109.06507	0.3
111.04405	0.8
125.02329	1.1
125.05975	0.8
131.04941	0.4
133.06453	0.3
137.05971	1.7
143.03421	2.2
147.04352	0.8
151.03915	0.6
153.01811	29.9
153.02698	1.2
154.02127	0.7
169.04878	0.5
171.04341	0.6
189.09056	0.4
192.04170	1.4
193.04950	35.9
194.05353	0.5
195.06508	4.1
207.02858	0.8
211.07506	0.4
213.05554	0.5
213.07559	1.1
219.06493	0.5
239.06943	0.7
257.08124	0.5
267.06500	1.0
281.06479	0.6
299.09125	61.0
300.06470	0.4
300.09512	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	299.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.7
70.28893	2.9
74.65874	0.5
79.01857	5.1
83.04979	1.7
85.02898	0.8
97.02900	0.6
100.07203	0.5
107.01284	0.9
111.04442	3.7
125.02317	3.5
143.03400	7.6
151.03735	0.6
153.01823	100.0
153.02762	4.0
154.02148	1.3
179.03386	1.0
181.01346	1.3
201.05508	0.7
207.02928	3.2
219.06497	2.4
221.04538	1.2
237.04054	0.6
263.05545	0.8
281.06567	3.0
297.68970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
51.04015	0.2
56.08851	0.2
61.01143	4.8
62.37999	0.2
69.03424	0.3
71.46184	0.3
75.02705	2.6
92.38071	0.2
94.04060	0.4
94.50070	0.2
95.48219	0.2
97.02886	1.5
103.02143	0.4
115.03938	0.2
119.03537	0.9
127.47893	0.3
131.53110	0.3
136.06177	100.0
137.04573	0.5
137.06561	1.0
145.03185	1.7
163.04208	0.8
195.06537	0.5
197.06017	0.3
298.09726	3.0
299.05548	0.7
299.12720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01872	0.4
55.05512	3.5
56.05014	1.0
57.03435	0.4
57.07072	2.3
58.02951	0.3
59.12332	0.3
60.04524	2.5
67.01843	0.6
67.05503	5.2
68.99779	0.9
69.03410	1.1
69.06760	0.3
69.07069	4.1
70.06573	0.7
71.08626	2.3
71.44249	0.5
76.27357	0.3
77.03892	0.3
79.05036	0.3
79.05485	5.5
80.05003	0.4
81.03423	0.3
81.07051	27.0
82.06557	1.2
83.01335	18.4
83.04976	4.2
83.08601	2.7
85.10159	0.4
86.06057	0.5
91.05475	3.1
93.07041	3.7
94.06549	0.8
95.04945	0.9
95.08597	4.6
96.08101	0.5
97.02856	0.3
97.06519	2.6
97.10146	1.6
98.06027	0.4
99.08105	1.4
100.07607	0.4
103.05469	0.8
105.03355	0.7
105.07018	2.1
107.01322	0.4
107.04942	0.3
107.08562	1.1
108.08112	0.2
109.05752	0.4
109.06510	8.0
109.10143	2.1
110.09704	0.3
111.04423	2.6
111.08051	0.4
111.11713	0.6
112.07583	0.3
119.08562	1.4
121.06534	1.8
121.10154	0.5
123.08013	0.5
123.11659	0.3
124.05181	0.4
125.02344	0.9
125.05135	0.5
125.05988	7.4
127.07549	19.5
131.04924	2.7
133.10078	0.9
135.04390	1.2
135.11682	0.7
136.06148	0.8
137.13225	0.3
139.03879	0.6
139.07533	0.6
141.12766	0.3
143.03386	0.7
147.11568	0.4
149.05977	6.9
149.13263	0.3
151.03896	0.9
151.11127	0.3
152.04674	5.8
153.01820	0.4
153.05438	6.4
155.14250	0.5
157.04967	0.7
161.13219	0.5
167.03416	2.3
167.07033	3.2
169.05057	0.3
169.10196	0.3
173.85953	0.3
177.03990	0.4
177.05466	5.1
180.04031	0.4
185.04402	1.4
193.15901	0.3
195.06516	100.0
212.06279	0.4
213.03972	5.3
213.07564	52.4
215.10667	0.6
225.09209	0.3
241.36235	0.2
245.22639	1.1
246.22888	0.3
248.10010	0.3
250.25305	1.4
253.25081	0.3
255.09694	0.4
257.11804	2.0
262.25287	0.8
263.23691	1.0
280.26331	16.0
281.11615	0.3
281.26700	0.7
282.08459	1.3
283.06100	0.3
283.09189	4.7
298.11530	6.1
298.27524	1.8
298.30444	0.4
299.12747	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	297.991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93835	2.0
55.58843	1.2
56.96563	17.6
69.96178	15.7
71.70404	2.7
71.95246	1.9
98.97580	84.2
99.66768	1.4
101.00833	2.0
101.94354	1.4
109.56128	1.3
116.98620	74.5
119.01894	3.8
119.65462	1.4
121.86334	1.4
130.93341	1.6
131.96153	7.4
134.99657	31.6
140.00171	1.5
149.97179	6.9
153.00710	5.1
158.01186	2.5
172.94261	2.5
175.47719	1.5
177.00975	8.8
178.01300	1.4
190.95340	3.4
192.98720	2.5
207.96402	1.7
208.96333	6.1
216.98721	3.2
219.02023	12.6
220.02078	2.9
221.01703	2.9
221.72000	1.5
232.96367	11.0
234.99652	5.5
249.97258	3.3
250.97452	15.3
251.97035	1.9
256.96292	12.7
261.03073	21.1
261.05646	2.7
273.94958	2.3
274.97485	100.0
275.04370	2.7
291.98389	2.8
292.98502	94.5
293.98264	4.3
297.99109	4.5
298.18723	1.9
298.98004	4.3
316.00061	3.6
316.42929	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	297.0756
Annotation	3'-Methoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.01950	0.2
54.26919	0.2
55.01854	0.5
55.05504	0.5
55.75075	0.2
57.07094	0.2
58.39265	0.2
65.02718	0.3
65.03945	0.4
67.05482	1.4
68.99789	1.7
69.03426	0.6
69.07059	0.6
69.68829	1.7
71.01350	0.3
72.09585	0.2
74.10581	0.2
79.05481	1.0
81.03388	0.4
81.07047	1.8
83.04995	0.3
85.02895	0.4
91.05455	2.7
93.07028	1.0
95.04951	0.6
95.08587	1.1
97.02901	0.4
97.06596	0.2
97.10133	0.3
98.20757	0.3
103.05452	0.3
105.03403	0.2
105.07012	0.6
107.04943	13.1
107.08581	0.8
108.60215	0.2
109.06534	0.3
109.10139	0.9
111.04442	0.7
117.07022	0.3
118.16586	0.3
119.04929	3.1
119.08581	0.5
121.02863	3.6
121.06461	0.3
121.10126	0.8
123.04444	0.7
123.11707	0.5
125.09599	0.3
129.03389	0.3
129.06967	0.4
129.68982	0.3
131.04889	1.4
131.08603	0.5
133.10139	0.6
134.03610	0.2
135.04405	3.2
135.08090	0.7
135.11674	0.5
138.59581	0.3
141.06947	0.4
145.06468	1.0
145.10060	0.3
147.04396	8.0
149.05988	0.3
149.13145	0.3
151.03894	3.9
153.01784	0.5
153.06967	1.1
155.08488	0.6
157.02885	0.4
157.06487	0.9
159.08032	0.5
159.11664	0.4
162.03114	1.1
163.03871	0.9
165.07007	1.8
167.08551	0.8
169.06465	0.5
171.08009	0.8
175.03867	3.6
176.04683	1.1
177.07031	0.8
181.06458	2.2
183.08075	1.8
185.05997	0.8
187.07532	0.7
187.11125	0.2
190.02600	2.6
191.03366	0.9
193.04950	1.0
193.06505	0.4
194.02110	3.4
195.08029	1.8
198.06891	0.3
199.07536	3.1
201.09151	0.4
203.03374	3.8
205.06467	1.4
209.05936	0.6
211.07568	1.6
213.05476	1.2
213.09148	0.6
221.06004	0.4
222.06842	0.3
223.07518	3.3
226.06244	0.4
227.06956	1.7
229.08575	3.5
233.05919	0.6
234.06728	0.3
237.05461	0.9
237.09149	0.5
241.08499	1.1
250.06326	0.5
251.07036	1.8
252.07777	0.3
255.06517	3.1
261.14944	0.3
265.08606	1.3
269.08133	2.6
269.11108	0.4
279.06464	1.1
279.23297	0.3
297.07559	100.0
298.07974	2.1
299.06277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
55.01879	0.6
57.07056	0.3
67.05494	0.5
69.03403	0.4
69.07067	0.5
71.71141	0.5
79.01849	4.6
81.03394	0.7
81.07031	0.4
83.08536	0.3
89.97996	0.3
91.05453	0.9
93.07082	0.6
93.23149	0.3
95.04948	0.5
95.08582	0.7
97.02886	9.3
97.06506	0.3
99.04432	0.9
99.08058	0.3
103.05449	0.9
107.01318	0.8
107.04946	0.7
107.08564	0.4
109.02882	1.3
109.10152	0.3
119.04967	0.8
119.08589	0.3
121.02863	0.6
121.10155	0.3
123.00799	0.3
125.02348	4.1
127.03907	1.1
127.96895	0.3
128.99811	0.3
131.04918	2.3
133.02817	0.5
136.06157	0.3
137.02309	0.3
139.03941	0.6
143.03395	7.8
147.04445	1.4
151.03847	0.5
153.01816	100.0
153.02711	4.0
154.02150	1.3
159.04387	3.5
163.03882	1.4
165.01921	0.4
165.05547	0.5
165.06940	0.4
171.04364	0.4
175.03922	0.9
177.01871	0.8
177.05466	1.8
177.06819	0.4
179.03430	2.0
179.06923	0.3
181.01302	2.1
183.02884	1.2
187.03893	1.3
191.03389	2.2
193.04942	0.8
195.02838	1.5
197.00807	0.7
203.03445	0.4
205.04921	5.6
207.02872	5.5
209.04428	0.8
209.09639	0.5
211.02386	1.0
215.03375	1.2
219.02924	0.9
221.04411	2.5
223.02374	3.6
231.02852	0.5
233.04442	5.1
235.02344	0.6
237.04010	1.5
237.09094	0.8
237.12730	0.4
243.03009	0.5
249.03932	1.4
261.03882	1.7
262.75201	0.3
265.08636	0.5
267.05008	0.5
279.05090	1.0
279.23328	0.3
294.52957	0.3
297.05981	7.2
297.11084	2.3
297.18134	0.4
299.06155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03942	0.2
55.01864	0.7
60.93497	0.1
68.99776	0.2
69.03414	0.6
70.83000	0.5
71.04969	0.3
75.66896	0.2
79.01849	5.5
80.02209	0.1
81.03410	0.7
83.01324	0.4
91.05461	0.5
95.04958	0.2
95.08559	0.2
97.02885	10.0
97.73312	0.2
99.04439	1.1
103.05444	0.6
105.03368	0.2
106.53472	0.2
107.01305	1.3
107.04956	0.2
109.02882	1.1
115.05472	0.2
119.04948	0.5
123.00806	0.4
125.02335	4.4
127.03920	1.4
131.04929	2.3
133.02834	0.2
137.02345	0.4
139.03905	0.6
143.03389	9.2
147.04393	0.9
151.03966	0.4
153.01819	100.0
153.02779	4.2
154.02145	1.1
156.71805	0.2
159.04404	3.3
161.05968	0.4
163.03896	1.7
165.01837	0.6
165.05513	0.3
171.02907	0.3
171.04372	0.4
175.03912	1.3
177.01797	0.3
177.05461	1.4
179.03407	1.8
179.06941	0.3
181.01291	1.8
183.02940	1.0
187.03908	1.4
189.05365	0.2
191.03381	2.1
193.04955	0.8
194.64888	0.1
195.02898	1.8
197.00774	0.7
199.03851	0.3
203.03412	0.4
205.01259	0.2
205.04948	5.6
207.02882	5.3
209.04486	0.7
211.02371	1.0
215.03340	1.2
217.04982	0.5
219.02838	0.6
221.04443	2.4
223.02351	3.6
231.02812	0.2
233.04433	5.3
234.04884	0.2
235.02393	0.6
237.03914	1.5
243.02892	0.4
249.03888	1.2
251.05357	0.3
261.03918	1.9
267.04980	1.0
279.04962	1.1
297.06033	7.0
297.11206	0.3
299.06232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
52.88372	0.2
55.01863	0.6
55.63317	0.2
63.10715	0.2
67.05517	0.3
68.99799	0.3
69.03411	0.7
70.81075	0.2
71.04977	0.3
71.52023	0.5
79.01848	4.9
79.71920	0.2
81.03405	0.6
83.01332	0.2
85.02927	0.2
91.05467	0.3
93.23573	0.2
97.02888	9.4
99.04426	1.0
103.05463	0.4
105.03394	0.3
105.07031	0.2
107.01287	0.9
107.04937	0.5
109.02835	1.0
116.74672	0.2
119.04916	0.5
120.87803	0.2
125.02344	3.7
127.03918	1.3
131.04912	2.2
133.02875	0.6
139.03912	0.4
143.03397	9.1
145.02901	0.3
147.04416	1.0
149.05972	0.3
151.03941	0.5
153.01817	100.0
153.02817	4.3
154.02138	1.0
159.04398	2.8
161.05931	0.2
163.03903	1.4
165.01878	0.4
165.05438	0.3
167.03404	0.3
171.02866	0.3
175.03920	1.2
177.01813	0.4
177.05466	1.4
179.03369	2.0
181.01271	1.9
183.02835	1.2
187.03873	1.3
191.03357	2.2
193.04892	0.5
195.02840	1.4
197.00865	0.7
203.03421	0.5
205.04945	5.6
207.02879	5.5
209.04433	0.7
211.02390	1.0
215.03407	1.5
217.04822	0.3
219.02834	0.7
221.04417	2.7
223.02370	4.4
223.05891	0.3
233.04417	5.6
235.02316	0.6
237.03896	1.6
243.02806	0.4
249.03923	1.7
251.05455	0.3
261.03928	1.9
267.05038	1.0
279.04883	1.1
285.18967	0.2
297.06039	8.3
298.06256	0.3
315.74597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.9888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93832	8.8
56.96569	2.9
69.96170	45.5
71.35909	0.7
71.94095	2.1
79.05501	0.4
81.07068	0.4
87.97207	3.3
91.05793	0.7
94.28333	0.3
98.97575	4.6
101.00917	0.5
110.98797	1.2
113.95118	0.6
116.98608	4.8
119.01899	2.6
130.93143	0.3
131.96130	13.3
134.01247	0.3
134.99661	4.6
137.02960	1.2
140.00101	0.3
149.97189	30.9
153.00746	0.8
154.97801	0.5
158.99886	0.6
167.98257	3.7
172.98784	1.6
174.97636	0.7
177.00938	9.0
178.00989	2.3
179.00743	1.1
189.95116	1.8
190.95274	0.6
192.98737	1.1
196.94968	0.4
200.02615	0.6
201.00975	0.6
203.02425	0.6
205.94695	1.0
207.96243	15.8
208.96106	1.3
213.95212	1.0
216.98772	1.3
218.03508	0.5
219.01997	11.9
220.02089	4.8
221.01645	1.5
223.95645	0.5
230.97729	0.5
231.01997	0.5
231.96228	6.7
232.96222	1.1
234.99741	2.3
242.03505	0.7
243.03638	0.5
246.95036	0.6
248.98944	0.5
249.97293	40.8
250.97314	2.0
255.96140	3.8
256.96484	0.6
258.03217	0.7
260.04636	0.7
261.03046	1.5
264.96057	0.7
266.99963	0.8
272.98911	2.6
273.97272	39.1
274.97400	6.7
277.00967	0.4
283.03012	0.9
285.00958	0.4
290.99878	0.3
291.98328	100.0
292.98474	6.5
293.98840	0.5
296.98856	3.0
297.04276	0.7
297.98889	0.6
299.06107	2.9
305.33319	0.4
305.99899	0.5
314.99930	9.8
315.03128	0.6
315.05536	0.8
316.00192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94915	0.5
53.03959	0.7
60.04240	0.6
60.04523	10.2
70.02946	3.4
71.71954	0.6
79.05463	0.7
81.88826	0.5
88.03986	64.7
92.70834	0.5
102.05535	100.0
107.04948	97.6
108.05272	1.0
121.02784	0.6
121.06483	3.1
130.05016	2.1
132.17052	0.5
139.03905	0.6
143.34262	0.7
148.06038	74.8
149.06212	0.7
153.01869	0.6
205.06653	0.5
213.98462	0.6
219.08257	0.6
226.58569	0.6
236.09160	0.8
250.10791	2.5
265.12363	1.6
278.10361	1.0
286.22842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.08899	4.0
55.01883	6.6
55.05279	4.5
55.05506	41.0
57.07065	17.6
65.03904	5.5
67.05503	75.2
68.16514	4.1
69.03429	4.9
69.07067	29.0
71.08624	43.3
79.05490	55.2
81.03392	9.1
81.07056	68.3
83.04956	16.6
83.08597	18.5
90.24706	4.0
91.05482	29.5
93.07045	74.3
95.04958	13.1
95.08598	56.0
97.06528	12.7
97.10165	12.7
99.08084	34.8
105.07014	20.0
107.08586	37.4
107.74864	4.6
109.10143	31.7
117.06998	9.4
119.08549	19.4
121.10149	37.4
123.08056	4.7
123.11665	5.9
125.09641	8.1
127.16655	5.8
131.08580	6.4
133.10109	15.5
135.11693	48.7
137.09566	5.7
145.10107	4.9
147.11635	7.9
149.13213	12.4
151.11182	14.0
157.10106	5.7
159.11662	7.4
161.13318	9.9
163.11115	9.1
175.03894	5.5
179.14297	100.0
195.80800	4.4
199.07010	4.3
199.14853	5.7
229.63524	5.1
259.20419	6.8
277.21609	35.3
295.09595	15.7
299.23132	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	295.1285
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
56.05031	1.9
71.44482	0.8
79.05476	1.1
81.03429	0.3
81.07027	0.4
84.04494	30.8
84.63827	0.3
85.02888	0.5
91.05467	1.0
93.07026	0.9
95.08659	0.4
102.05509	0.7
103.04763	0.4
103.05450	6.2
107.04940	2.2
113.38071	0.3
120.08092	100.0
121.06487	0.5
121.08438	1.3
128.09450	0.3
130.04994	4.5
130.06464	0.4
131.04906	3.7
139.03882	0.6
147.04430	0.5
149.05957	2.5
150.07753	1.5
166.08621	35.2
167.08995	0.5
175.03983	0.4
177.05478	0.8
186.09125	6.2
205.05040	0.4
207.06430	0.3
220.04793	0.3
232.09674	5.1
247.06013	0.5
261.90613	0.3
278.10165	5.1
295.12750	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	295.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01849	0.2
55.05508	1.3
57.03425	0.2
67.05486	0.5
69.03426	18.1
69.07047	0.4
69.38919	0.2
70.03761	0.2
70.06581	0.2
71.01351	1.5
71.04990	1.3
71.71115	0.2
77.03919	0.2
79.05478	0.6
81.05913	0.2
81.07048	0.8
83.04977	4.2
85.02905	1.8
87.04431	0.3
91.05470	0.5
93.07038	0.7
95.04953	0.5
95.08614	0.5
97.02868	0.2
103.05408	0.2
105.07056	0.2
107.04945	100.0
108.05278	1.4
109.10136	0.6
111.04433	4.2
115.03874	0.2
119.08563	0.3
121.06495	3.3
129.05464	5.1
137.26401	0.2
149.05968	2.7
151.10878	0.2
175.07646	0.3
187.33945	0.2
225.48230	0.2
227.88857	0.2
267.10077	0.2
295.09409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05512	1.1
57.07060	0.2
57.62376	0.2
64.46617	0.2
66.32471	0.2
67.05494	0.5
67.51767	0.2
69.03423	20.4
69.07047	0.4
71.01349	1.1
71.04980	1.1
71.30094	0.5
71.30437	0.4
79.05474	0.7
81.07055	0.4
83.04973	3.8
83.08662	0.2
85.02913	1.7
91.05502	0.3
93.07048	0.6
95.04978	0.7
95.08582	0.4
99.04452	0.2
103.05467	0.3
107.04946	100.0
108.05286	1.2
109.10113	0.4
111.04430	4.2
115.20545	0.2
117.97140	0.2
121.06491	3.2
121.10136	0.2
129.05467	5.0
129.06342	0.4
134.90086	0.2
149.05959	2.3
157.77777	0.2
178.35851	0.2
188.71378	0.2
217.15811	0.3
220.63394	0.2
239.07224	0.3
266.84998	0.2
295.06079	0.9
295.09387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79592	0.2
52.09397	0.2
55.05516	0.3
57.07076	1.3
57.41902	0.2
62.29331	0.2
66.04697	0.3
67.05495	0.4
67.98657	0.2
69.07073	0.3
70.31949	0.9
71.08603	1.3
79.05488	0.6
81.07046	1.2
82.36915	0.2
83.10701	0.2
91.05449	0.6
94.04183	2.2
95.04968	0.3
95.08633	0.2
107.04956	0.4
109.06488	0.4
109.10165	0.2
122.03636	7.0
137.05966	100.0
138.06317	1.5
141.12732	2.3
151.03903	0.2
158.15405	1.6
170.15413	0.6
209.83739	0.2
312.47235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.05494	0.4
56.96540	0.2
57.03418	0.2
57.07051	0.2
58.24159	0.2
61.01139	0.3
65.03933	0.7
66.83207	0.2
67.05487	0.9
68.05808	0.3
69.03416	0.3
69.07059	0.6
70.06583	1.2
71.04985	0.2
71.06924	0.3
71.70629	0.3
72.04482	0.4
78.03764	0.6
79.05491	0.4
81.07053	1.5
84.24570	0.2
85.06521	0.4
88.96270	0.2
91.05474	8.9
91.06057	0.4
93.07018	0.7
95.08602	1.2
96.08936	0.5
102.03770	1.3
105.07058	0.3
107.04963	0.2
107.08591	0.5
109.06471	0.2
109.10132	1.0
114.03737	0.4
115.04004	0.2
116.07103	1.5
117.07470	0.5
119.04933	23.3
119.08550	0.5
120.05295	0.3
121.10135	0.3
123.11700	0.3
131.06380	0.7
132.04793	0.8
133.10141	0.3
135.11659	0.2
147.04395	100.0
148.04753	1.6
149.07422	6.0
152.79460	0.2
163.07512	0.3
197.07970	1.0
199.31488	0.2
218.08102	8.0
235.07495	0.4
249.09001	0.2
252.07765	0.3
277.10086	0.2
277.18253	0.2
295.10791	1.2
295.20956	0.4
295.36508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41718	0.3
63.77721	0.4
65.03922	0.8
69.07060	0.5
69.43028	0.3
71.70851	0.4
71.71275	0.4
79.12540	0.4
84.40820	0.4
86.09688	0.4
91.05470	11.5
91.17290	0.3
100.81335	0.4
108.03526	0.3
119.04932	29.2
128.80281	0.3
147.04391	100.0
148.04721	1.2
165.01819	0.3
196.10141	0.4
296.89078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.03938	0.2
55.01862	0.2
55.05510	0.2
56.96551	0.3
57.07060	0.6
66.04710	0.2
67.05489	0.8
69.07071	0.3
71.08648	0.2
71.70894	0.2
79.05478	0.6
79.87989	0.2
81.07053	1.9
88.07610	0.4
91.05470	0.7
94.04179	2.3
95.04964	0.2
96.00024	0.2
102.28853	0.2
105.03342	0.2
107.04951	0.4
107.77593	0.2
109.06517	0.4
114.23525	0.2
122.03642	7.9
123.11713	1.7
137.05968	100.0
138.06310	1.0
158.15399	1.6
164.81958	0.2
170.15413	1.7
179.44083	0.2
208.78085	0.2
230.88487	0.2
238.11552	0.3
294.20947	0.3
312.30548	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05493	9.6
67.05495	79.6
69.07052	6.7
69.97862	17.1
79.05483	14.2
81.07047	100.0
83.08624	4.7
91.05450	4.7
93.07015	12.6
95.08598	68.5
97.10157	2.9
98.20699	3.9
102.74563	2.7
105.07008	3.4
107.08614	5.4
109.10152	36.2
111.07999	2.5
119.08586	4.8
121.10110	4.9
123.11700	19.3
130.28059	2.6
131.08531	4.0
135.11650	3.2
137.13251	8.2
145.10072	4.2
147.11630	3.3
151.14813	3.2
151.53979	2.7
163.11089	3.6
190.25089	3.1
191.14328	2.6
243.21205	3.4
261.22125	5.5
293.24783	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2471
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03939	2.0
53.99737	1.1
54.01540	1.0
55.05500	9.8
57.07061	2.8
67.05497	98.5
69.07059	10.9
78.28996	1.0
79.05487	16.6
81.07048	100.0
82.07351	1.7
83.04983	2.8
83.08624	6.0
85.06533	3.4
91.05460	5.4
93.07030	15.3
95.04961	1.7
95.08595	77.7
96.08906	2.1
97.06516	1.2
97.10160	2.1
99.08090	1.7
105.07044	5.0
107.08579	11.1
109.06505	2.6
109.10149	33.5
111.08057	2.0
115.07581	1.1
117.06996	1.8
119.08525	5.4
121.10149	9.7
123.08058	2.3
123.11690	17.4
123.12515	1.2
125.09702	1.2
131.08527	7.4
133.10126	4.5
135.08055	1.4
135.11659	7.7
137.09636	2.0
137.13248	7.5
145.10112	6.9
147.04359	1.6
147.11694	3.2
149.09575	1.6
149.13255	4.6
151.14804	3.8
159.11670	5.3
161.13246	4.2
163.11197	2.2
163.14824	3.0
165.12683	1.3
165.16373	1.3
173.13216	7.9
177.12669	2.4
177.16371	1.2
179.14330	1.6
187.14783	4.3
191.14449	1.2
209.15314	1.1
223.16937	1.0
237.11284	1.4
243.21085	4.2
261.22150	6.6
275.20258	1.3
293.21420	1.8
293.24646	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.34751	2.8
53.03944	7.2
55.01861	6.9
55.05508	27.2
57.03425	6.2
57.07068	6.8
60.01215	2.5
62.71861	2.5
67.05498	46.1
69.03410	2.4
69.07066	26.4
71.04983	6.3
79.05486	47.1
81.03412	9.5
81.07050	100.0
83.04979	7.3
83.08614	13.3
85.06531	5.9
91.05476	34.6
93.07046	32.2
95.04955	23.5
95.08601	33.5
97.06520	10.5
97.10172	4.1
98.21565	4.5
105.07034	34.8
107.04948	10.5
107.08597	24.3
109.06519	28.6
109.10147	20.0
111.08104	5.4
115.29502	2.6
117.07000	12.6
119.08575	32.2
121.06506	5.6
121.10134	18.1
123.04423	5.3
123.08067	13.1
123.11707	8.5
125.09615	3.9
127.42306	2.5
131.08563	18.2
133.10106	24.6
135.08051	9.1
135.11707	9.0
137.05988	15.8
137.09648	7.0
137.13196	3.4
141.07005	2.5
143.08568	16.7
145.06479	2.7
145.10118	12.7
147.04422	10.3
147.08130	2.9
147.11652	16.9
149.09584	15.0
149.13248	4.3
151.11198	5.2
159.11662	11.0
159.12840	2.6
159.56949	2.8
161.13217	4.9
163.11166	10.1
165.12682	2.5
171.08063	14.0
171.11623	4.0
173.13327	6.1
175.11127	3.0
175.14885	3.1
177.12741	3.4
185.13284	3.7
191.10608	5.4
191.14389	3.7
209.11830	3.2
219.17503	4.0
223.86082	2.7
232.42288	3.1
237.11136	4.9
247.20512	6.1
257.18970	8.4
275.16919	2.1
275.20050	65.0
275.23093	4.6
279.63971	2.8
280.26172	3.1
293.18088	3.8
293.21146	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	1.7
55.01867	3.4
55.05508	12.0
57.03428	1.3
57.07071	2.1
65.03939	1.8
67.05495	23.8
69.03425	2.4
69.07058	22.5
71.04970	1.5
71.64024	2.0
79.05491	17.6
81.03384	1.3
81.07047	28.5
83.04974	7.8
83.08612	5.4
85.06535	2.0
86.71397	0.8
91.05474	17.2
93.07038	21.7
95.04974	7.3
95.08599	16.3
97.06506	3.6
97.10162	2.9
99.08096	1.1
105.07020	25.1
107.04930	6.6
107.08585	13.5
109.06507	10.4
109.10144	10.4
111.08066	1.7
116.04914	1.1
117.07026	5.6
119.08561	13.9
120.49763	1.0
121.06517	7.7
121.10133	7.5
123.08028	4.3
123.11710	3.3
125.09624	1.3
129.06999	2.2
131.08556	14.2
133.06479	2.7
133.10117	15.9
135.08041	4.4
135.11626	4.4
137.09615	2.2
143.08566	2.4
145.10114	11.2
147.08083	2.9
147.11687	12.5
147.15315	1.2
149.09622	4.3
149.13237	2.5
151.11179	6.0
153.09146	0.9
155.08537	2.0
157.10126	2.8
159.08041	1.1
159.11716	4.9
161.09608	3.3
161.13309	2.7
163.11194	4.5
165.12808	1.2
171.11705	2.6
173.09572	2.5
173.13293	4.5
175.11252	2.3
177.12766	1.1
179.14233	1.2
183.11725	2.7
185.13072	1.2
187.11203	1.3
191.14333	2.8
197.13342	1.0
201.12773	3.8
207.13832	3.1
212.16861	0.8
215.17996	2.0
219.13698	5.5
229.19507	2.5
231.17488	0.9
233.19052	1.3
239.17931	3.5
247.20602	3.0
257.18954	13.3
258.19257	1.3
275.20041	100.0
276.20438	3.3
293.21057	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.90561	2.9
53.03938	5.9
55.01872	23.0
55.05509	61.1
57.02841	3.1
57.03414	4.0
57.07063	13.5
67.05496	47.8
69.03407	9.5
69.07075	17.4
71.04971	7.3
71.45802	6.6
79.05484	86.7
81.03396	7.0
81.07047	50.6
83.04962	15.4
83.08610	16.6
91.05479	31.6
93.07028	49.0
95.04939	11.7
95.08605	16.9
95.39471	2.9
97.06529	21.0
97.10161	28.9
105.07031	38.6
107.04949	47.5
107.08585	73.9
109.10136	20.0
111.04428	6.5
111.08038	7.4
117.07011	13.6
119.04872	3.3
119.08571	24.8
121.06457	4.7
121.10104	16.7
123.08060	6.2
123.11691	9.7
125.09611	32.5
131.08548	13.0
133.10127	23.5
135.08038	11.2
135.11728	6.7
145.10077	11.4
147.04335	7.6
147.11685	18.7
149.09604	91.2
149.13219	3.9
153.05431	3.8
153.09048	7.1
159.11684	10.3
161.13184	4.6
163.11215	5.6
173.11765	6.6
173.13223	7.2
178.26527	2.9
181.04973	9.7
187.13254	5.4
189.11203	22.9
191.10690	5.1
209.11656	18.5
229.19469	9.3
233.15256	4.1
237.11215	26.1
239.17947	4.9
247.20518	4.3
257.18948	23.6
275.20029	100.0
293.21118	21.6
296.62756	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02363	0.5
53.03924	1.4
55.01857	3.3
55.05247	0.7
55.05502	10.6
57.03428	1.7
57.07060	1.7
65.03931	1.2
67.05494	9.1
69.03422	12.5
69.06704	0.6
69.07064	8.4
71.01332	1.8
71.04986	3.0
71.05326	0.6
71.72054	0.6
79.05486	11.2
81.03403	2.0
81.07047	19.9
81.44607	0.5
82.28580	0.6
83.04971	7.4
83.08615	5.5
85.02892	2.9
85.06538	2.8
85.77527	0.5
91.04935	0.9
91.05475	17.9
93.07037	11.0
95.04956	4.2
95.08594	12.6
97.06531	2.9
97.10162	5.8
105.07017	8.8
107.04934	2.8
107.08585	12.5
109.06517	4.2
109.10144	7.3
111.04438	5.8
111.08086	1.5
111.11720	0.7
117.06991	2.8
119.04929	24.7
119.08553	5.8
120.05320	0.9
121.06485	1.8
121.10146	5.2
123.04425	0.7
123.08057	2.6
123.11676	3.6
125.09631	4.0
129.05434	2.0
129.06966	1.0
131.08543	2.9
133.06471	0.7
133.10095	4.6
135.08044	2.6
135.11665	4.1
137.09563	1.4
137.13213	0.9
139.11163	1.4
145.10114	3.3
147.04395	100.0
147.11635	2.8
148.04716	3.7
149.09593	3.5
149.13239	2.5
151.11165	1.5
155.08534	0.8
157.10100	1.0
157.87767	0.6
159.11705	2.5
161.09560	0.5
161.13243	1.4
163.11189	2.0
163.14738	0.7
165.05501	0.9
165.09206	1.0
165.12750	0.8
169.10069	0.7
173.13242	1.8
177.12730	1.5
189.11180	1.9
197.13203	0.7
215.17892	0.9
219.13774	0.6
223.13290	0.7
229.19644	0.8
231.86104	0.6
239.17924	0.8
247.20692	1.1
257.18985	2.0
275.20035	15.8
293.10263	1.5
293.17703	1.1
293.21042	7.1
293.24292	1.2
293.28156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	26.1
55.01859	26.4
55.05507	28.4
67.05497	61.0
69.07064	58.0
69.61087	4.6
69.61385	44.8
71.04977	5.8
79.05483	44.0
81.03410	51.0
81.07049	100.0
83.04972	16.1
83.08614	12.1
85.06539	6.5
85.44540	5.0
91.05470	57.1
93.07040	46.3
95.01312	9.1
95.04971	15.7
95.08602	57.1
97.06526	36.3
97.99008	4.7
105.07027	91.2
107.04926	35.0
107.08609	24.1
109.06532	9.1
109.10157	14.8
117.07012	17.3
119.08575	43.3
119.22054	5.0
120.35710	5.0
121.06502	6.3
121.10116	6.6
123.04440	7.5
123.08056	17.2
131.08566	28.5
133.10121	59.6
135.11688	19.7
145.06500	9.5
145.10114	28.7
147.04430	6.1
147.11684	25.1
149.09631	10.8
151.11182	6.9
159.11696	19.7
163.11127	8.9
170.32333	5.0
173.13214	5.7
177.12772	8.6
179.14301	21.5
187.11230	9.6
257.19037	10.6
275.20044	62.4
293.21118	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.81445	1.4
55.01854	6.5
55.05510	10.7
57.03430	12.5
57.07063	4.9
67.05502	20.3
69.07066	8.4
70.31876	3.0
70.32286	5.3
79.05492	19.5
81.07053	26.9
83.04951	3.7
83.08604	4.5
85.06527	3.9
91.05473	21.1
93.07041	23.4
95.04951	5.7
95.08598	15.8
97.02843	1.6
97.06506	6.9
97.10149	1.7
99.04452	1.5
99.08129	2.0
103.05474	2.0
105.07023	12.5
107.04967	3.5
107.08600	11.1
109.06509	7.7
109.10146	5.0
111.04430	2.4
111.08074	3.1
117.07006	9.9
119.08577	15.4
121.06500	3.2
121.10156	9.8
123.08011	2.4
129.07005	2.0
131.08574	9.7
133.10107	11.2
135.08038	2.2
135.11668	4.2
137.09558	4.9
143.08563	1.9
145.10107	10.3
147.04408	3.4
147.11690	5.3
149.09605	5.5
151.11159	1.6
159.11690	6.7
161.13237	3.7
163.11189	3.0
169.10043	1.8
171.58624	1.6
173.13258	3.7
181.04939	2.9
181.12247	2.0
185.13243	4.1
191.10605	1.8
191.17896	1.5
201.16333	4.6
203.14322	6.5
209.11656	6.1
219.17427	100.0
220.17715	4.0
221.15440	2.5
231.58342	1.4
237.11282	10.5
251.22725	1.5
252.91940	1.5
257.19040	3.7
275.20102	17.6
293.21161	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	293.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.5
55.59314	4.4
56.96556	11.0
57.03433	12.8
67.05495	4.1
69.03400	9.3
70.34832	4.6
70.35112	20.8
71.04991	27.5
72.90395	4.8
73.51815	3.9
75.04457	6.2
83.04976	36.7
85.02901	100.0
95.04946	9.4
99.04425	6.1
101.06011	5.3
101.07158	4.4
105.06978	5.7
111.04428	31.2
113.06019	7.2
129.05487	30.2
135.11620	4.3
147.06476	9.2
153.05479	10.0
162.95714	4.0
169.59811	3.9
171.06494	11.4
185.86031	4.1
211.16643	3.8
239.09006	5.3
275.20169	4.3
278.21930	4.6
293.14578	5.1
293.21109	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	293.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05494	1.6
55.28214	1.3
56.05012	4.9
57.02149	1.5
58.02945	2.9
58.06583	3.5
58.98529	1.3
60.04520	6.2
67.05492	2.3
69.07061	2.1
69.98071	3.5
69.98485	3.9
70.06580	1.9
71.04978	1.6
71.07363	2.0
72.08147	26.9
73.06533	6.0
74.02436	63.6
75.03216	15.2
79.05434	1.3
81.07040	1.4
82.06567	7.6
83.04973	2.0
84.04498	92.3
84.08137	3.1
85.02896	3.1
85.04852	1.8
85.06500	2.0
86.06047	2.6
86.09696	15.9
88.03956	1.5
98.06025	2.8
100.03951	4.8
100.07597	5.2
102.05506	2.9
102.09187	1.5
103.06294	2.5
104.03443	8.8
105.06985	1.8
113.05985	2.8
117.07849	5.4
118.08649	27.5
121.10137	1.3
122.34385	1.3
127.05048	2.4
128.03429	2.4
128.07063	7.6
129.05489	1.7
130.04124	2.1
130.05002	23.1
130.08641	12.3
132.06595	2.7
132.10164	5.5
139.03983	1.4
141.04192	3.2
144.06516	2.9
146.08110	2.3
147.04373	4.2
148.06027	1.6
149.06813	11.0
150.09087	1.7
156.10161	4.2
164.09183	100.0
168.05278	6.0
172.06058	3.0
186.06363	5.5
187.04742	7.3
189.08687	3.4
196.09843	1.4
202.10699	1.7
204.07413	13.4
230.10199	3.7
233.07747	3.6
275.19873	2.5
276.10764	6.6
293.13339	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	293.1163
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
51.63737	0.9
53.03936	1.0
55.01870	5.5
55.05490	1.4
60.04528	1.3
61.01141	12.0
67.05496	2.4
68.39908	0.9
69.07050	2.6
71.69730	2.2
72.04132	1.2
72.04510	13.2
73.02898	3.3
78.03789	28.4
81.03402	3.0
81.07029	2.4
83.04949	3.1
85.02896	19.5
86.06066	5.1
90.75839	0.8
91.05464	1.2
93.07036	1.9
93.91385	1.0
95.08601	1.6
97.06524	2.6
98.02406	1.5
98.06035	1.2
99.04451	10.9
100.14651	1.0
102.03760	41.7
103.02155	4.0
103.03936	31.3
104.01691	2.3
105.07010	2.0
107.04949	3.0
109.02861	7.2
112.07607	1.6
114.03725	4.3
114.05501	2.6
115.02148	1.0
115.08698	1.5
118.03196	1.3
120.04792	8.4
121.02859	2.1
123.04409	4.4
124.04755	2.7
125.04853	2.2
126.05510	33.5
127.03906	11.4
131.06381	18.7
131.08430	1.1
132.04791	16.5
135.04359	1.0
139.03888	9.9
140.04195	2.6
141.04379	3.7
141.06656	1.4
145.04930	1.3
147.04385	1.8
147.05850	2.6
148.04718	1.7
149.07433	100.0
150.07774	1.3
152.07072	2.9
153.01808	3.2
154.08591	5.7
156.06534	1.9
159.11696	1.0
175.05363	4.8
180.06552	26.9
198.07629	7.6
201.05501	1.2
216.08656	4.6
222.07913	1.4
229.04915	1.8
231.11633	7.0
233.09618	2.4
247.09515	1.2
257.04483	1.6
257.09595	4.4
275.05402	2.9
275.10562	5.8
275.19711	1.2
285.45319	1.1
293.06363	2.7
293.11621	75.9
294.11899	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79407	0.2
55.05505	1.4
61.44099	0.2
65.03933	0.8
67.05476	0.3
69.03421	9.7
69.07020	0.2
69.37725	1.9
69.38134	0.4
69.52516	0.2
71.01344	1.3
71.04975	0.5
76.50495	0.2
81.07037	0.4
83.04975	4.9
85.02428	0.2
85.02882	1.1
87.04449	0.2
91.05467	11.1
92.05831	0.3
95.04944	0.4
95.08569	0.4
99.04449	0.4
107.04948	0.4
107.08568	0.2
111.04430	4.6
118.12280	0.2
119.04928	25.7
120.05273	0.3
123.04436	0.4
127.04082	0.2
128.01112	0.2
129.05432	1.2
132.87224	0.2
147.04390	100.0
148.04756	1.4
160.64284	0.2
165.05460	1.0
212.18950	0.2
217.92128	0.2
234.28975	0.2
293.10187	2.0
293.13199	0.3
314.25616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	63.7
61.01143	44.7
69.07078	1.6
70.06570	3.2
78.34805	1.4
81.07049	4.0
83.46346	1.5
84.04496	90.6
84.08123	1.6
85.01057	1.3
86.09676	1.7
87.02687	15.8
88.03970	7.2
91.05394	1.5
92.82859	1.4
94.06523	1.4
95.08607	2.0
98.21575	2.4
98.25291	1.3
102.05537	1.5
103.05456	1.5
104.05317	100.0
105.03681	1.6
106.69863	1.3
116.07056	8.9
116.37750	1.4
122.06012	4.7
126.05476	1.5
130.04993	12.2
131.04906	2.3
131.44600	1.2
136.21228	1.3
139.03966	2.2
145.03209	2.6
147.04726	69.8
164.07385	96.9
168.06583	2.3
170.06332	1.7
182.08105	7.4
183.16275	1.2
216.06931	4.0
229.37401	1.5
230.08441	4.1
245.11244	1.7
275.05487	1.5
276.09055	9.9
293.11667	8.3
293.64328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
53.46017	0.2
55.05503	2.5
57.03422	0.4
57.21341	0.2
59.04972	0.2
65.03934	1.0
67.05483	0.5
69.03062	0.5
69.03425	9.7
69.07056	0.3
70.82896	0.6
70.83229	0.4
71.01345	1.2
71.04987	0.5
73.06531	0.3
79.05470	0.5
81.07040	0.5
83.04974	5.5
85.02894	1.3
87.49802	0.2
91.05473	10.8
93.07047	0.4
95.04944	0.4
105.07021	0.4
106.72269	0.2
107.04916	0.5
107.08532	0.2
109.10162	0.5
111.04438	4.8
117.06973	0.2
119.04936	26.1
120.05322	0.3
121.10136	0.4
123.04379	0.3
129.05492	0.8
133.10222	0.3
136.11198	0.7
147.04399	100.0
148.04712	1.2
149.02339	3.7
161.05843	0.3
165.05493	0.8
175.07507	0.8
189.13829	0.4
203.07039	0.7
214.89816	0.3
221.12898	0.3
233.08069	0.3
233.16547	0.3
251.17578	0.6
263.72913	0.3
293.10162	1.4
293.19153	0.4
293.22220	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	293.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.2
57.03433	0.3
65.03932	0.6
66.20540	0.3
67.05486	0.5
69.03424	9.6
69.07082	0.3
70.10909	1.1
71.01342	1.2
71.04988	0.5
81.07047	0.5
83.04465	0.3
83.04969	5.9
85.02887	1.3
91.05475	10.5
91.88284	0.3
95.05015	0.3
95.08582	0.3
98.20691	0.3
105.07005	0.5
108.01177	0.2
109.06524	0.3
111.04445	4.3
117.93568	0.4
119.04932	25.4
119.08510	0.3
129.05493	0.9
147.04395	100.0
148.04735	0.8
165.05473	0.5
178.10056	0.2
229.23590	0.3
292.27753	0.7
293.10095	2.4
293.27792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65644	0.3
55.05493	1.1
57.07078	0.3
65.03936	0.7
67.05480	0.3
69.03424	9.3
69.07085	0.4
70.06590	0.4
70.40428	0.7
70.40819	0.6
71.01352	1.5
71.04974	0.6
81.07019	0.5
83.04977	5.9
85.02892	1.2
88.07586	0.3
91.05470	10.5
93.07054	0.5
95.04922	0.4
95.08598	0.7
97.06486	0.3
105.06997	0.6
107.08567	0.4
111.04434	4.6
119.04932	24.5
120.05274	0.4
121.10130	0.4
129.05472	1.5
133.10110	0.3
141.84364	0.3
147.04396	100.0
148.04785	1.4
165.05499	0.6
173.39746	0.3
177.98427	0.3
207.10095	0.3
208.25404	0.3
292.27472	0.5
293.10089	2.0
293.27988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.05511	1.4
65.03951	0.6
69.03425	10.2
70.03777	0.2
71.01354	1.4
71.04987	0.5
71.16132	0.4
79.80128	0.2
83.04979	5.4
85.02907	1.3
91.05473	9.5
111.04440	4.6
119.04937	26.1
119.82767	0.2
120.05244	0.2
129.05475	1.4
147.04399	100.0
148.04727	1.2
165.05473	1.0
212.25751	0.2
233.07954	0.2
251.06468	0.2
293.10114	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.1
55.05503	1.3
64.58203	0.1
64.95767	0.1
65.03918	0.6
69.03423	9.2
69.39772	0.5
69.40197	0.9
71.01344	1.6
71.04987	0.5
83.04971	4.6
83.22327	0.1
85.02905	1.3
89.14609	0.1
91.05470	9.6
98.20679	0.2
111.04428	4.6
119.04931	25.0
120.05257	0.2
129.05476	1.1
141.14259	0.1
147.04393	100.0
148.04741	1.1
165.05475	0.8
233.07887	0.2
293.10168	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	293.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03936	0.1
55.01872	0.1
55.05508	1.2
65.03924	0.7
69.03421	10.0
69.38291	0.8
69.38718	0.3
71.01346	1.6
71.04976	0.6
83.04971	5.3
84.50519	0.1
85.02903	1.1
85.49412	0.1
91.05468	9.9
95.04987	0.1
101.05956	0.1
101.68621	0.1
111.04430	4.7
118.39407	0.1
119.04929	26.9
120.05263	0.4
120.53175	0.1
129.05467	1.2
147.04391	100.0
148.04735	1.1
165.05450	0.6
213.09044	0.1
233.08006	0.2
293.10175	2.2
302.60147	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	293.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81165	0.2
55.05504	1.1
56.03438	0.2
58.77662	0.2
59.01522	0.2
61.36661	0.2
64.92926	0.2
65.03924	0.8
69.03423	9.5
69.38375	2.7
69.38757	0.4
71.01359	1.4
71.05004	0.5
82.60177	0.2
83.04525	0.3
83.04974	5.0
85.02896	0.8
87.31573	0.2
91.05473	8.8
98.21472	0.5
111.04432	5.2
119.04932	22.7
124.52497	0.2
129.05496	1.1
147.04395	100.0
148.04738	1.4
152.59067	0.2
165.05479	0.7
233.07986	0.3
293.10217	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57621	2.2
69.40444	16.9
69.40867	10.8
93.88962	2.1
98.71615	2.4
119.01903	3.0
143.01720	3.1
161.02925	8.3
173.02818	4.0
203.03839	2.9
269.14191	2.6
293.06213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46973	0.3
53.03925	0.3
55.01876	0.4
55.05500	1.9
65.03923	0.8
67.05502	0.4
69.03424	12.1
69.07053	0.3
69.83125	2.1
71.01345	1.8
71.04985	0.4
79.05492	1.4
81.03363	0.3
81.07027	0.6
83.04974	5.1
85.02908	1.0
91.05469	11.5
93.06448	0.3
93.07034	5.6
95.04962	0.7
95.08570	0.6
97.02888	0.4
105.07026	1.3
107.04909	0.5
107.08593	1.6
109.06493	0.3
111.04434	5.2
113.48961	0.3
115.24596	0.3
117.06998	0.3
119.04930	26.8
121.06487	0.5
121.10126	3.3
124.82893	0.3
129.05486	1.5
131.08592	1.4
133.10172	0.3
135.14476	0.3
137.05977	0.3
143.73361	0.3
145.10112	0.3
147.04391	100.0
148.04765	1.6
149.09578	2.8
165.05412	0.5
177.12836	0.3
186.18434	0.3
201.99841	0.3
275.20078	0.4
293.10202	1.9
293.13501	0.5
293.17606	0.4
293.21082	0.5
298.83389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0543
Annotation	1,6-Dinitropyrene
Peak:m/z	Relative Intensity
53.03937	1.8
55.01865	1.4
56.96558	82.2
57.03419	5.0
61.02910	5.6
63.25952	1.4
68.96562	1.4
69.03424	8.2
69.64905	8.6
70.97755	1.7
70.98116	17.7
71.04971	2.4
71.95259	1.7
73.02892	3.8
74.97604	5.8
81.03410	3.0
83.04962	1.7
84.04484	1.5
84.08105	1.3
84.96027	22.4
85.02895	18.9
86.09684	1.7
87.04461	1.5
88.99144	17.4
92.98660	1.6
97.02874	11.8
97.96800	1.3
98.20611	2.0
98.97569	100.0
99.04418	3.0
99.97088	1.4
100.99136	1.3
101.00836	1.5
102.97046	3.0
107.00185	5.9
109.02868	1.9
110.96793	2.3
110.97556	42.4
112.99121	5.3
116.98608	54.0
119.01859	4.3
124.99090	3.2
127.00659	3.9
127.03912	5.3
128.98589	66.4
131.00171	8.7
131.01886	1.3
131.96104	3.2
133.03476	2.4
134.99631	23.3
140.00119	2.9
140.98566	21.2
143.00140	15.2
143.96117	1.5
144.95805	1.5
144.98088	3.9
145.01678	4.4
145.04951	2.0
146.99634	70.5
149.01172	7.6
149.97168	2.5
152.00134	2.4
152.98547	9.4
153.00549	3.0
155.00133	1.8
158.99649	37.7
161.01202	14.0
161.02670	2.4
161.97136	1.8
162.99135	3.7
163.02808	3.0
163.04294	1.6
165.00702	37.7
170.01227	3.1
170.99628	30.3
173.01309	6.7
173.02798	1.6
173.97194	2.8
174.99139	3.9
175.02708	2.1
177.00685	23.4
179.02278	3.9
182.99649	10.5
183.01738	3.9
183.04128	5.3
185.97131	1.8
189.00693	48.1
189.05605	1.3
190.06007	1.2
191.02243	4.3
191.03940	2.6
192.04741	2.4
193.00226	2.0
195.01538	1.3
201.00681	60.4
202.00990	1.3
203.02303	3.1
203.98268	1.6
205.03845	1.6
207.01741	28.9
213.00705	1.9
219.01743	49.2
219.03877	2.5
221.03261	2.5
223.04782	1.5
224.02245	2.1
225.02745	1.9
230.03299	1.6
231.01776	1.6
232.08823	1.2
233.03299	7.0
237.02794	73.3
238.03003	1.3
243.01665	2.0
251.04376	83.5
252.04889	1.7
255.03970	6.7
260.04404	3.5
261.02805	9.9
269.05408	37.0
274.06006	3.4
279.03833	8.0
293.05423	94.3
301.96606	1.2
311.06485	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02385	2.2
51.02645	1.4
53.03719	1.4
53.03938	6.8
55.01850	2.6
55.05509	19.8
57.07061	1.9
62.10390	1.5
65.03925	1.7
67.05501	36.5
69.07073	17.8
69.44880	16.8
77.03897	2.1
79.05486	69.7
81.07051	50.7
83.08622	8.2
85.06537	3.3
88.67268	1.6
91.05473	32.9
93.07039	100.0
95.04974	6.1
95.08599	33.3
97.10162	4.8
100.51421	1.9
105.04461	2.6
105.07021	24.7
107.08585	58.7
108.56313	1.6
109.06519	3.2
109.10135	12.2
111.08065	2.6
117.07008	4.5
119.08572	18.2
121.10132	41.6
123.08083	3.0
123.11724	3.4
128.11082	1.4
129.06985	2.1
131.08575	8.1
133.10101	16.9
135.08069	1.5
135.11681	49.0
137.09579	1.8
142.07732	1.9
143.08557	3.8
145.10115	11.6
147.11667	11.0
149.09628	4.5
149.13254	31.0
157.10126	5.7
159.11658	8.0
161.13235	9.2
163.11232	2.4
163.14818	10.5
171.11739	3.8
173.13309	2.7
175.11252	2.5
175.14830	8.0
177.12762	3.2
185.13274	8.9
187.07643	2.0
189.12735	3.1
199.14781	4.3
203.14297	6.6
217.19592	2.0
219.41460	1.4
221.15329	2.9
226.69893	1.7
231.13832	2.8
235.16881	2.4
241.19510	6.1
249.14896	3.7
249.18539	3.6
259.20593	6.9
291.20151	1.7
291.23178	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	293.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01865	1.4
56.96558	82.2
57.03419	5.0
61.02910	5.6
63.25952	1.4
68.96562	1.4
69.03424	8.2
69.64905	8.6
70.97755	1.7
70.98116	17.7
71.04971	2.4
71.95259	1.7
73.02892	3.8
74.97604	5.8
81.03410	3.0
83.04962	1.7
84.04484	1.5
84.08105	1.3
84.96027	22.4
85.02895	18.9
86.09684	1.7
87.04461	1.5
88.99144	17.4
92.98660	1.6
97.02874	11.8
97.96800	1.3
98.20611	2.0
98.97569	100.0
99.04418	3.0
99.97088	1.4
100.99136	1.3
101.00836	1.5
102.97046	3.0
107.00185	5.9
109.02868	1.9
110.96793	2.3
110.97556	42.4
112.99121	5.3
116.98608	54.0
119.01859	4.3
124.99090	3.2
127.00659	3.9
127.03912	5.3
128.98589	66.4
131.00171	8.7
131.01886	1.3
131.96104	3.2
133.03476	2.4
134.99631	23.3
140.00119	2.9
140.98566	21.2
143.00140	15.2
143.96117	1.5
144.95805	1.5
144.98088	3.9
145.01678	4.4
145.04951	2.0
146.99634	70.5
149.01172	7.6
149.97168	2.5
152.00134	2.4
152.98547	9.4
153.00549	3.0
155.00133	1.8
158.99649	37.7
161.01202	14.0
161.02670	2.4
161.97136	1.8
162.99135	3.7
163.02808	3.0
163.04294	1.6
165.00702	37.7
170.01227	3.1
170.99628	30.3
173.01309	6.7
173.02798	1.6
173.97194	2.8
174.99139	3.9
175.02708	2.1
177.00685	23.4
179.02278	3.9
182.99649	10.5
183.01738	3.9
183.04128	5.3
185.97131	1.8
189.00693	48.1
189.05605	1.3
190.06007	1.2
191.02243	4.3
191.03940	2.6
192.04741	2.4
193.00226	2.0
195.01538	1.3
201.00681	60.4
202.00990	1.3
203.02303	3.1
203.98268	1.6
205.03845	1.6
207.01741	28.9
213.00705	1.9
219.01743	49.2
219.03877	2.5
221.03261	2.5
223.04782	1.5
224.02245	2.1
225.02745	1.9
230.03299	1.6
231.01776	1.6
232.08823	1.2
233.03299	7.0
237.02794	73.3
238.03003	1.3
243.01665	2.0
251.04376	83.5
252.04889	1.7
255.03970	6.7
260.04404	3.5
261.02805	9.9
269.05408	37.0
274.06006	3.4
279.03833	8.0
293.05423	94.3
301.96606	1.2
311.06485	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	1.1
55.05515	7.4
57.03424	1.3
57.07061	2.5
59.04980	2.7
67.05505	5.7
69.03417	1.6
69.07050	1.9
71.04980	2.9
77.03869	1.1
79.05485	11.1
79.47707	1.2
80.50487	1.1
81.07067	13.7
83.04976	2.5
83.08627	9.7
85.06537	2.8
91.05472	10.4
93.07039	14.1
95.04972	6.0
95.08602	16.8
97.06508	4.6
98.20715	2.6
105.07032	19.0
107.04953	13.8
107.08589	10.3
109.06528	6.4
109.10131	3.8
111.07339	2.2
111.08080	41.3
113.01060	1.1
113.09613	1.7
117.07040	2.9
119.08578	15.3
121.06473	4.5
121.10126	4.6
122.07291	1.7
123.08063	34.4
125.09629	3.1
128.06166	2.2
129.06960	3.3
131.08571	9.6
133.06474	3.7
133.10107	10.1
135.08067	6.6
135.11667	2.2
137.09619	2.1
142.07738	1.8
143.08519	5.0
145.10094	7.6
147.08025	4.4
147.11673	5.5
147.74947	1.2
149.09590	7.0
149.13284	1.5
151.07539	100.0
152.07848	1.9
155.10664	3.6
156.09348	2.8
157.10109	9.5
159.08119	1.2
159.11691	3.5
161.09587	3.8
161.13196	2.1
163.11172	3.1
169.12184	1.5
171.11623	3.1
173.13297	5.8
174.10466	2.3
175.11180	6.3
175.14810	3.5
177.09071	2.0
179.10670	5.3
181.12204	1.5
185.13239	6.9
187.14729	1.2
189.12737	28.9
191.14284	14.0
192.11412	4.3
197.11722	14.4
197.13298	2.8
203.14345	7.5
205.12076	1.4
207.13802	62.7
208.14058	2.3
213.12770	1.7
213.16254	2.2
215.14308	2.3
217.12265	3.5
231.13789	2.8
231.17455	2.9
233.15361	37.2
249.14948	3.2
249.18486	2.4
255.17468	2.7
273.18454	5.4
291.16068	3.0
291.19513	40.3
291.22861	2.3
292.19974	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	291.1951
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03938	0.5
55.01870	1.1
55.05501	3.1
57.07066	2.9
58.56042	0.6
59.04984	2.5
59.09700	0.5
66.67133	0.5
67.05494	3.1
69.03415	1.5
69.07047	1.8
69.82935	2.7
69.83347	1.6
71.04979	2.0
79.05487	4.3
81.07043	6.6
83.04959	2.0
83.08605	2.6
85.06527	2.0
85.83406	0.5
87.04472	0.8
91.05466	4.7
93.07033	10.2
95.04945	4.4
95.08595	13.5
97.06508	2.5
105.07010	10.9
107.04964	3.4
107.08585	6.8
108.05725	1.0
109.06516	6.3
109.10159	3.7
111.04404	0.8
111.08071	22.6
113.09660	0.8
115.05489	0.7
117.07003	2.3
119.08571	8.4
121.06487	2.5
121.10113	5.3
122.07256	1.8
123.08057	32.1
123.11652	1.0
125.09634	1.4
129.06976	1.4
131.08546	5.7
133.06477	3.6
133.10101	6.7
135.08022	5.7
135.11647	2.8
137.06004	0.8
137.09596	2.9
141.05429	1.1
142.07750	1.2
143.08553	4.0
144.09311	1.1
145.10104	10.3
147.08012	3.5
147.11671	5.1
149.09607	5.5
149.13330	0.6
151.07526	100.0
152.07852	2.4
155.08446	1.1
156.09344	2.8
157.10127	3.4
159.08025	1.8
159.11696	3.3
161.09590	2.8
161.13242	2.1
163.11154	2.6
165.09085	0.7
169.10066	0.9
171.11664	3.4
173.09584	2.4
173.13287	4.7
174.10448	2.2
175.11139	3.6
175.14787	0.9
177.09122	2.3
177.12738	0.9
179.10645	5.3
181.12228	1.7
185.13181	3.1
187.11185	2.2
187.14801	1.2
189.12738	26.2
190.13150	0.9
191.10643	1.8
191.14281	3.8
192.11401	3.8
197.11697	13.3
197.13257	2.0
198.11925	0.7
203.14252	3.2
207.13786	70.9
208.14188	2.1
209.15288	0.6
213.16328	2.1
215.14316	3.1
217.04924	0.6
217.12196	2.8
229.23590	1.1
231.17334	2.1
233.15331	12.2
235.13266	1.4
237.16394	0.8
247.05977	0.6
249.14890	0.8
249.18454	1.1
255.17418	2.0
273.18445	5.4
291.04971	1.0
291.19519	38.4
291.26685	2.8
292.19861	1.9
299.91980	0.7
300.97107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.89207	1.3
51.71167	1.2
53.03928	1.6
55.01864	2.7
55.05514	8.6
57.03431	1.4
57.07060	3.8
59.04996	2.4
67.05502	10.4
67.28421	1.2
69.03423	3.0
69.07043	4.2
70.05756	3.6
70.06165	2.6
71.04987	2.1
76.95481	1.3
79.05482	10.2
80.49960	1.2
81.03406	1.7
81.07050	16.3
83.04966	3.1
83.08606	3.3
85.06528	1.6
91.05476	14.1
93.06512	1.8
93.07043	17.1
95.04946	4.6
95.08598	17.3
95.59480	1.2
97.06524	2.6
101.20678	1.2
105.07025	27.5
107.04937	2.1
107.08586	7.9
109.06516	6.9
109.10161	3.5
110.25002	1.3
111.08077	52.6
114.88145	1.1
117.07024	7.7
117.43825	1.2
119.08562	19.4
121.05746	1.0
121.06484	8.3
121.10162	7.4
122.07307	2.0
123.08062	33.1
123.11674	1.4
124.08387	1.5
128.06281	1.2
129.06979	4.7
131.08566	14.1
133.06512	5.0
133.10114	9.7
135.08054	6.3
135.11681	4.7
137.09598	1.7
141.07008	1.3
142.07806	2.9
143.08586	10.7
145.09138	1.6
145.10127	12.9
147.07983	5.7
147.11647	4.9
149.09598	6.1
149.13194	1.5
151.07535	100.0
152.07895	2.3
155.08517	1.7
156.09348	3.3
157.10130	7.9
159.08026	2.1
159.11684	4.2
161.09608	4.4
161.13240	3.0
161.65111	1.3
163.07451	2.2
163.11130	4.6
171.08212	1.2
171.11641	4.0
173.09605	2.1
173.13219	2.1
175.11150	4.8
175.14784	5.1
177.09105	2.9
179.10669	6.4
181.12234	1.9
185.13321	9.4
187.14818	1.5
189.12724	24.4
192.11464	4.2
195.11633	2.1
197.11739	13.5
197.13354	2.4
198.29965	1.3
203.14333	10.7
207.13794	62.6
208.14154	1.4
213.12711	2.0
213.16356	1.4
217.12177	3.2
231.13797	5.0
231.17577	1.7
233.15274	1.5
235.13347	1.8
249.14885	8.1
255.17355	1.9
267.08990	1.2
273.18503	7.0
291.16037	4.1
291.19501	44.4
291.22818	2.3
291.26877	2.3
292.19986	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	291.1952
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03938	1.0
55.01862	0.9
55.05504	4.7
57.03431	0.7
57.07067	2.4
59.04983	2.2
66.89923	0.5
67.05498	5.1
69.03423	1.8
69.07056	2.4
69.38489	1.2
69.38817	6.2
70.06586	0.5
71.04987	3.3
77.03909	0.7
79.05479	5.9
81.07042	7.4
83.04979	2.2
83.08604	3.3
85.02904	0.8
85.06540	2.2
91.05470	7.0
93.07034	12.1
95.04951	4.6
95.08598	14.7
97.06518	2.6
98.21476	1.2
105.07021	14.5
107.04932	4.1
107.08575	8.0
108.05727	0.9
109.06509	5.4
109.10149	4.9
111.04393	0.7
111.08068	22.4
113.06004	1.0
115.05453	0.6
117.07001	2.6
119.08563	10.3
121.06510	2.9
121.10131	5.0
122.07265	2.2
123.08061	37.5
123.11678	1.0
124.85759	0.6
125.09619	1.9
128.06190	0.9
129.06995	2.3
130.07733	0.7
131.08548	6.1
133.06505	3.1
133.10121	6.8
135.08028	4.0
135.11702	2.7
137.05904	0.7
137.09612	3.4
139.07541	0.7
141.05455	1.2
141.06976	0.7
142.07764	1.7
143.08559	4.7
144.09273	1.0
145.10106	11.0
147.08040	3.9
147.11690	6.3
149.09619	4.2
151.07529	100.0
152.07845	2.1
153.09052	0.8
155.08597	1.1
155.10675	1.3
156.09326	2.4
157.10129	3.6
159.08037	2.0
159.11703	4.4
160.08702	0.6
161.09612	4.9
161.13225	2.6
163.11151	3.4
165.09100	1.1
168.09261	0.6
169.33308	0.5
171.11633	3.1
173.09578	0.9
173.13266	3.8
174.10379	1.3
175.11168	3.2
175.14821	1.1
177.09111	2.0
177.12732	1.9
179.10663	5.3
181.12276	1.4
182.10916	0.7
185.13260	4.4
187.11134	2.2
187.14760	1.7
189.12735	26.8
190.13083	1.1
191.10609	0.8
191.14307	4.0
191.54204	0.5
192.11444	5.0
193.12079	0.6
195.11749	0.8
197.11713	15.5
197.13235	1.6
203.14299	4.8
205.12186	1.2
207.13791	64.4
208.14117	1.3
208.68692	0.5
211.14977	0.6
213.12790	1.0
213.16335	2.1
215.14293	3.4
217.12212	2.9
218.51665	0.7
229.23529	1.1
231.13737	1.4
231.17401	2.2
233.15355	13.3
235.13237	2.2
249.14713	2.7
255.17470	2.4
273.18427	5.7
291.04922	0.7
291.19513	40.0
291.26782	3.8
292.19858	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Peak:m/z	Relative Intensity
53.00306	0.4
53.03935	0.9
54.01207	0.3
55.01868	2.1
55.05472	0.3
56.96543	0.2
65.03936	3.4
67.01852	1.3
67.05499	6.1
68.99786	4.3
69.03416	0.6
70.00709	1.2
78.31414	0.2
79.05466	0.8
81.03399	0.9
81.07036	1.1
83.04967	1.1
91.05470	2.7
93.03403	4.3
93.07020	1.1
95.01322	0.6
95.04974	2.6
95.08578	0.8
97.02872	0.7
98.98437	0.3
99.00806	0.3
103.05453	0.6
105.03384	0.3
105.07016	3.1
107.04937	1.1
107.08572	0.8
109.02885	1.4
109.06532	0.4
111.00825	0.4
111.04433	3.2
115.05459	0.5
117.07016	0.6
119.04939	4.6
119.08581	1.4
121.02851	1.6
121.06496	1.1
123.04436	0.7
125.05980	0.4
127.03919	0.6
129.07010	0.4
131.04881	0.3
131.08543	1.2
133.02831	0.6
133.06454	0.4
133.10103	0.7
135.04395	1.0
137.02335	2.7
137.05942	0.7
139.03889	100.0
140.04210	2.3
141.04385	0.4
142.07796	0.3
142.95042	0.3
143.08545	1.1
145.06502	0.3
145.10133	0.9
147.04402	10.0
147.08052	0.4
147.11681	0.4
148.04889	0.3
149.05998	0.3
153.01830	2.8
153.05453	5.7
153.06676	0.4
155.08514	0.3
157.10138	0.9
159.11717	0.9
161.06004	1.1
161.13232	0.5
163.03899	0.4
165.05469	20.4
166.05840	0.4
171.04382	0.6
175.03903	0.8
175.11111	0.6
175.14839	0.9
179.03345	3.6
185.13260	1.5
189.05470	2.2
191.03337	0.8
192.04204	0.4
193.04973	0.8
195.02850	0.3
199.03865	0.5
203.03398	1.4
203.14288	2.2
207.02887	0.5
208.03708	0.6
213.12776	0.4
217.04951	13.2
218.05348	0.9
219.02934	1.3
220.03687	0.5
221.04424	4.8
229.04980	0.6
231.02875	0.3
231.13692	1.3
235.05977	1.2
244.03645	0.3
245.04440	14.8
246.04997	1.1
248.03041	0.6
249.03925	0.8
249.14865	0.9
262.04825	0.3
263.05539	0.5
273.03912	14.6
274.04108	0.8
291.05002	29.9
291.08575	3.1
291.16125	0.5
292.05283	2.0
299.17822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Peak:m/z	Relative Intensity
52.12669	0.4
53.00308	0.6
55.01857	1.7
55.05512	0.6
56.96555	2.5
57.08971	0.4
57.83102	0.3
65.03934	1.3
67.05498	1.7
68.99776	2.5
69.03434	0.4
77.03921	0.4
79.05473	0.7
81.03391	0.5
81.07046	1.4
83.04951	0.8
85.02907	0.4
86.99010	0.4
91.05476	3.5
93.03359	0.9
93.07047	1.4
95.04967	2.8
95.08601	0.9
98.97599	0.8
98.98485	0.4
105.03381	0.8
105.07018	3.8
107.04945	0.5
107.08597	1.3
111.00793	0.6
111.04441	3.5
115.05442	1.5
116.01670	1.0
116.98608	0.7
117.06986	0.6
119.04937	6.3
119.08569	1.9
121.02901	0.8
121.06570	0.8
123.04423	62.8
124.04748	1.1
127.03913	1.4
128.06165	0.4
129.07022	0.8
131.04904	0.8
131.08580	1.3
133.06500	0.8
133.10130	1.1
135.04428	0.8
137.02319	1.1
137.05917	0.5
139.03891	100.0
140.04218	5.4
141.04366	4.7
142.03215	0.7
143.04927	2.8
143.08542	1.6
145.10127	1.4
147.04399	19.0
147.11641	0.5
149.06000	0.8
151.03899	2.6
151.07530	0.8
152.04175	0.3
153.01820	0.9
153.05507	0.9
156.09256	0.4
157.10191	0.7
159.11693	1.4
161.05968	7.9
161.09604	0.4
161.13269	0.8
163.03889	2.9
164.04291	0.5
165.05495	13.9
166.36339	0.3
169.04968	1.3
171.04376	0.4
175.07516	0.7
175.11185	0.4
175.14827	0.9
177.05449	1.1
179.03348	0.4
179.07025	2.7
181.05057	0.7
182.99702	0.5
185.13205	1.4
189.05431	1.7
201.00702	1.3
203.14308	2.5
205.04967	0.5
207.06631	5.4
213.12805	0.5
219.01646	0.6
229.86496	0.5
231.13760	1.3
244.99658	3.3
249.07468	1.2
249.14809	1.3
263.00723	5.3
263.05350	0.6
264.00995	0.6
273.07465	1.1
286.02325	0.4
291.04767	0.9
291.08344	5.7
291.15814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	100.0
57.02510	1.0
57.03441	2.0
61.02938	1.2
67.95065	0.9
69.03428	3.8
70.06576	2.5
70.47163	4.0
71.95265	1.3
73.02912	3.1
73.40910	0.9
74.97614	2.6
81.07039	1.5
84.04511	1.9
84.96034	8.9
85.02918	6.4
93.07053	1.3
94.45528	0.9
95.04991	1.2
95.08555	1.2
97.02895	2.8
98.97573	47.2
99.04399	1.4
102.97018	2.2
103.00642	1.4
105.07014	3.8
107.76922	1.1
110.97573	3.0
111.04443	1.2
112.99147	3.1
115.03702	1.8
116.98611	38.1
119.01841	5.5
119.08555	2.0
119.51877	1.5
121.01669	3.2
121.06467	1.2
123.01160	1.0
123.96291	0.9
124.50394	1.0
124.99103	21.0
127.00673	3.5
127.03903	2.8
128.02347	1.3
128.98605	3.6
131.00145	4.8
131.01872	2.0
133.01680	1.1
133.10196	1.3
134.99641	24.6
135.03140	1.3
137.02930	0.9
139.00655	1.7
139.02760	1.1
139.03864	2.0
141.02246	4.4
142.04906	1.0
143.00146	71.7
144.98030	1.7
145.01712	4.1
145.03447	1.7
146.02286	1.3
146.52432	1.4
146.99638	2.6
149.01198	3.9
151.00671	2.3
152.98589	4.4
153.00694	4.4
155.01836	1.5
155.02945	1.7
155.53032	1.9
157.01689	2.8
157.10100	1.5
158.99660	3.8
159.03291	8.9
161.01210	82.4
162.01479	1.1
162.99152	1.9
163.02745	2.0
166.01804	1.9
167.00183	3.5
169.01733	8.0
170.53549	1.4
170.99638	30.7
171.01129	1.5
173.01294	1.3
173.02968	2.0
174.99191	2.2
175.02765	2.5
177.00673	4.7
177.04352	2.3
179.02246	9.6
182.53564	3.3
184.02832	3.0
185.01207	28.2
185.02786	1.3
185.13280	2.1
186.99200	3.6
187.02776	10.9
189.00696	59.8
189.02209	2.5
191.02374	1.7
191.03822	6.0
191.54073	4.7
194.01274	1.9
194.53558	1.1
194.99606	2.0
200.04382	6.6
200.54573	11.2
201.00694	3.8
201.04854	2.0
203.02261	27.5
203.03941	1.5
203.14322	2.5
205.00159	10.3
205.03844	2.0
207.01762	11.6
209.55211	1.5
212.02318	2.4
213.00662	20.3
219.01791	2.8
221.03297	6.7
223.01273	3.9
226.03874	1.1
231.01746	39.5
231.13855	1.4
237.02869	1.6
244.99666	1.5
245.03282	4.9
247.01219	4.7
249.02795	50.4
249.14767	1.1
254.03398	3.1
263.00693	2.6
263.04364	3.2
265.02499	1.1
267.00711	1.9
267.03864	35.0
272.04434	3.7
273.02780	11.2
285.04922	16.5
290.05646	2.1
291.03867	41.2
291.06918	16.0
291.10526	25.6
291.13354	1.8
309.04868	50.2
314.05591	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	291.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39766	0.4
55.32737	0.5
56.96559	100.0
69.40016	0.4
71.69492	0.8
71.95258	2.3
74.97614	1.6
84.96025	4.7
90.30012	0.4
97.96790	0.5
98.97572	45.9
105.00170	0.8
106.98151	0.7
110.97555	1.1
112.99136	2.4
115.00687	0.7
116.98608	31.2
119.01933	0.8
123.01208	1.3
124.99102	23.8
127.00674	4.6
128.98613	1.3
131.00172	2.9
133.01726	0.7
133.03424	0.5
134.99649	12.0
139.00673	1.8
140.00200	1.2
140.98596	1.1
141.02217	4.4
143.00148	57.8
144.98132	0.7
145.01680	3.3
145.03494	0.9
146.99557	0.6
149.01158	2.4
151.00652	1.8
152.98569	7.6
153.00702	1.4
156.98117	0.9
157.01727	3.0
158.99651	1.3
159.03287	6.3
161.01210	41.4
166.01762	1.5
167.00160	3.8
168.59274	0.5
169.01721	6.4
170.99635	27.0
174.99174	1.1
175.02797	1.0
177.00734	1.1
177.04359	1.6
179.02278	3.6
182.99768	0.6
184.02878	0.9
185.01204	21.3
186.99141	2.0
187.02756	9.1
189.00694	37.6
194.01308	0.8
194.99677	3.2
201.00719	1.4
203.00319	0.9
203.02257	20.0
205.00195	5.3
205.03912	0.6
207.01797	5.8
211.02837	0.7
212.02243	0.9
213.00687	16.7
219.01797	1.1
221.03310	4.0
226.03830	1.1
229.00191	0.6
231.01741	26.6
232.02118	0.5
245.03281	1.9
247.01190	3.3
249.02797	31.2
254.03488	0.8
263.04349	3.5
265.02240	0.6
267.03873	18.3
272.04373	1.3
273.02780	8.2
285.04907	11.1
290.05429	0.6
291.03818	31.4
306.00067	0.5
309.04883	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1432
Annotation	Chloranthalactone C
Peak:m/z	Relative Intensity
50.35536	4.5
51.47595	3.7
61.62719	3.5
69.53445	38.2
69.56415	4.2
70.32259	3.7
79.05491	10.4
81.07038	13.2
91.05462	13.5
93.07014	11.6
95.04960	7.7
105.07019	14.0
107.08578	11.4
109.06488	4.5
111.09184	4.0
115.05499	6.1
117.07003	12.7
117.74924	4.8
119.08608	12.0
119.74698	4.3
122.07124	4.6
128.06223	15.6
129.06992	18.7
131.08566	35.4
133.06422	6.4
133.10170	6.7
141.07004	17.8
142.07771	16.9
143.08586	31.1
145.06453	8.8
145.10110	17.7
153.07005	14.9
155.08560	31.4
157.10141	28.1
159.08063	10.5
159.11632	4.7
167.08626	5.3
168.09335	37.4
170.34212	5.3
173.05959	6.5
173.09657	4.4
173.13269	9.7
175.09647	3.7
183.11671	100.0
185.09532	6.1
185.13208	6.2
187.07475	11.6
187.11263	4.8
190.09413	4.2
201.12798	31.5
203.10541	5.4
211.11180	19.4
229.12234	84.9
230.12535	4.5
289.14288	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	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.00296	1.2
53.03938	1.3
53.21599	0.5
55.01861	0.9
55.05492	0.8
56.96568	1.2
57.03420	0.9
58.24946	0.5
61.02905	1.1
64.99714	0.7
65.03931	2.8
65.83421	0.5
67.05494	1.1
68.99777	1.9
69.03420	2.2
70.61095	1.6
71.04991	0.7
72.92401	0.5
79.05486	1.9
81.03412	1.9
81.07046	2.5
85.02899	4.4
85.48945	0.5
91.05451	2.6
93.07030	2.1
93.50990	0.6
95.04966	1.7
97.02871	2.1
98.22952	0.5
105.07021	2.5
106.13969	0.5
107.04935	1.5
107.08566	1.5
109.02883	1.7
109.10104	0.7
111.00784	1.5
111.04413	2.7
115.05443	0.7
117.06997	1.8
119.08544	1.7
121.02829	2.1
121.06540	1.0
123.04425	4.8
127.03902	100.0
128.04225	1.3
128.06203	2.0
129.07001	2.8
131.04904	0.7
131.08542	3.5
133.06441	0.8
133.10107	1.1
135.04384	5.4
135.11609	0.5
137.02309	0.6
139.03886	93.6
140.04240	2.1
141.06978	2.6
142.07770	2.0
143.08566	4.2
144.09378	0.8
145.06476	1.1
145.10133	1.8
149.06027	0.9
151.03891	7.5
153.01834	0.7
153.06992	2.5
155.08513	3.6
157.10146	3.2
159.04393	0.7
159.08058	2.3
159.11729	1.1
159.54202	0.4
161.05942	0.5
163.03906	6.3
167.08533	1.4
168.09329	5.9
169.06462	0.7
169.10086	1.2
173.05997	1.8
173.09550	1.1
173.13278	1.6
175.11250	0.6
177.05472	1.0
179.03368	3.0
179.07007	1.0
181.10109	0.5
183.11670	11.1
184.12163	0.6
185.13243	0.8
187.04022	0.8
187.07550	1.9
193.10022	0.8
197.05911	0.6
200.04379	0.6
201.12701	3.5
201.90933	0.6
202.54704	0.9
205.04984	4.1
211.11194	1.8
215.06891	0.6
223.73717	0.5
229.12210	9.7
247.13353	1.2
261.03351	0.7
261.07626	1.1
271.05682	1.0
289.06958	9.5
289.12009	0.8
297.91187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
53.00301	2.1
53.03928	0.5
55.05500	0.5
56.13002	0.5
62.86116	0.5
65.03928	1.0
66.28905	0.5
67.05479	1.1
68.99792	6.4
69.07059	0.6
69.25214	0.5
71.26051	0.9
71.26387	0.8
79.05475	2.1
81.03409	1.0
81.07050	1.5
85.84314	0.5
89.03918	0.9
91.05482	1.5
93.07017	1.6
95.04956	1.4
95.08662	0.6
105.03384	1.2
105.07018	2.0
107.04944	2.3
107.08575	0.8
111.00797	10.8
111.04425	1.1
115.05470	1.3
117.03358	1.4
117.07018	1.0
119.08574	1.1
121.02858	3.0
121.06495	1.2
123.04401	4.2
127.03892	2.6
128.06186	0.8
129.06973	1.7
131.04938	1.6
131.08578	2.8
132.32030	0.5
133.02841	1.7
133.06532	1.1
133.10144	0.6
135.04440	3.8
137.57553	0.6
139.03888	100.0
140.04231	0.9
141.06964	1.5
142.07755	1.1
143.04895	0.8
143.08543	1.7
145.02815	2.2
145.06451	1.2
145.10095	0.8
149.05965	5.5
151.03888	9.6
153.01811	5.0
153.06984	1.9
155.08537	2.3
157.10126	1.7
159.04445	2.5
159.11659	0.6
161.05994	2.8
163.03893	34.6
164.04419	1.1
167.08543	0.8
168.09360	2.2
169.06502	0.7
169.10107	0.8
173.05977	1.1
173.13242	0.9
177.05431	4.2
179.03392	5.0
179.07013	6.6
183.11676	6.3
185.09558	0.5
187.03914	1.2
187.07544	0.9
197.05974	1.2
201.05489	1.1
201.09111	0.6
201.12622	2.6
203.07204	0.7
205.04950	29.1
211.11182	1.2
215.06950	1.2
228.29381	0.5
229.04910	4.7
229.12236	4.3
243.06442	1.2
247.05980	4.9
253.04901	0.6
261.04031	1.4
271.05991	3.8
289.07040	44.7
289.25381	0.5
290.07376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.00312	1.4
53.03935	0.8
55.01865	1.1
55.05518	0.6
65.03934	2.9
67.01861	3.9
67.05502	0.9
68.99792	5.6
69.03417	1.6
69.07055	0.7
70.32205	2.8
71.04995	0.5
76.67365	0.5
77.03917	0.5
79.05476	1.4
81.03394	1.1
81.07050	2.9
83.04974	0.8
89.03906	2.1
91.05478	3.0
93.03407	0.9
93.07045	3.4
95.04942	1.5
95.08619	0.5
97.02863	1.0
97.06493	0.9
98.98463	0.5
103.05424	0.5
105.03381	0.8
105.07017	2.9
106.45528	0.6
107.04945	2.7
107.08598	1.1
109.06532	0.8
111.00777	4.5
111.04434	2.1
115.05426	0.6
117.03370	3.4
117.06995	1.2
119.08578	2.3
121.02863	3.8
121.06490	2.2
121.10151	0.8
123.04425	6.0
127.03893	1.6
128.06209	1.4
129.07024	1.8
131.04901	1.5
131.08583	3.2
133.02843	0.7
133.06493	0.8
133.10130	1.6
135.03464	1.0
135.04405	11.5
135.08047	0.9
137.05959	1.2
139.03891	100.0
140.04173	0.6
141.06982	2.4
142.07748	1.5
143.08554	2.6
145.02832	5.2
145.06516	1.5
145.10101	1.1
147.11717	1.5
149.02296	0.7
149.05977	2.8
151.03894	8.3
151.11163	0.8
153.01820	47.2
153.06966	1.7
155.08530	2.9
157.10121	2.2
159.04396	1.5
159.08040	1.8
159.11667	0.8
161.06013	1.2
163.03897	38.2
168.09325	3.4
171.02875	14.8
173.06041	1.2
173.09526	0.9
175.11269	0.8
177.05486	2.0
179.03348	7.5
179.07034	1.8
181.10126	0.9
183.11693	7.2
185.13277	0.6
187.03923	1.2
187.07448	0.7
193.10205	0.7
197.05919	0.9
199.11250	0.5
201.12711	1.9
205.04926	11.7
209.50006	0.5
211.11198	1.6
211.13200	1.0
215.06932	0.8
217.12253	1.9
229.04872	1.2
229.12225	7.1
233.04472	1.6
235.13280	1.8
241.04572	0.6
243.06526	1.0
247.05956	1.5
247.09673	0.8
247.13210	1.1
253.14392	0.8
261.03940	1.0
261.07559	1.1
271.06134	3.4
271.10602	0.6
289.03592	3.8
289.07031	56.7
290.07376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
53.00284	2.1
55.27051	0.5
65.03908	1.7
66.27511	0.5
67.05445	0.5
68.99470	0.5
68.99786	6.3
70.65508	1.3
70.65926	1.0
79.05456	1.5
81.04900	0.5
81.07037	0.7
89.03896	1.2
93.03400	0.9
93.07013	1.2
93.34754	0.4
95.04946	0.9
103.05446	0.7
105.07024	0.9
106.02892	0.4
107.04963	1.2
111.00796	8.2
111.04478	1.0
115.05413	1.0
117.03365	1.2
117.06986	0.5
121.02860	3.8
121.06461	0.8
123.04404	2.7
127.03909	1.4
131.04929	1.8
133.02827	1.3
133.06519	1.3
135.04402	2.6
139.03891	100.0
140.04218	0.8
141.06932	0.9
143.08513	0.6
145.02861	1.0
145.06531	0.9
146.03618	0.9
149.05974	5.5
151.03886	8.8
153.01811	0.7
155.02357	0.7
159.04430	1.6
161.05949	2.4
163.03891	24.3
164.04585	0.7
169.06546	0.8
173.05931	1.0
175.42230	0.5
177.05475	3.1
179.03448	4.7
179.06993	5.6
183.11618	1.1
187.03929	0.6
193.12239	0.6
197.06024	1.4
201.05467	0.9
203.06929	0.7
205.04959	31.5
206.05354	0.7
215.07129	0.7
217.12178	0.6
222.99936	0.5
229.04932	4.3
229.12288	0.9
235.13280	0.8
243.06541	0.5
247.06021	5.6
253.05194	0.7
261.04022	1.2
271.06033	3.1
272.78455	0.5
289.06915	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	289.0703
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
51.97641	0.3
53.00286	1.6
62.85414	0.3
63.28534	0.3
65.03927	2.4
68.99793	2.0
70.76659	1.0
79.05480	0.4
89.36290	0.3
105.03381	0.4
107.04922	0.6
111.00775	2.8
111.04436	1.0
117.06993	0.3
121.02855	2.7
123.04421	3.2
127.03895	0.8
133.02824	0.8
135.04396	2.0
139.03888	100.0
140.04182	0.7
141.06975	0.7
145.02875	0.5
149.05952	1.5
150.14232	0.4
151.03893	7.7
159.04420	0.4
161.05986	0.7
163.03897	8.8
169.06575	0.3
177.05460	0.8
179.03352	4.4
179.07002	1.7
183.11726	0.4
197.05954	0.8
205.04973	7.3
215.07069	0.7
229.04915	0.9
229.12161	0.6
247.06013	0.7
271.05972	1.0
289.07059	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	287.1638
Annotation	Blandachromene I
Peak:m/z	Relative Intensity
55.05505	4.4
57.07058	1.2
65.48631	0.9
65.82672	0.9
67.01875	2.3
67.05496	3.6
68.99776	1.5
69.06712	1.0
69.07061	14.2
79.05482	3.7
81.07033	5.8
83.01308	1.3
83.08600	2.8
91.05475	2.6
93.07030	3.8
95.04946	1.7
95.08575	3.7
97.02872	0.8
97.10165	2.3
103.05428	1.5
105.03388	9.8
105.07005	1.8
107.04951	14.5
107.08591	1.6
109.06512	5.4
109.10145	4.9
111.11698	8.1
117.06965	1.4
119.08587	1.4
121.06484	5.9
121.10143	4.4
123.11684	5.5
129.06973	1.4
131.04897	3.6
132.05252	2.4
133.05516	1.3
133.06477	2.5
135.04417	16.8
135.08101	1.1
135.11690	1.6
137.04965	1.3
137.05972	15.6
139.03452	1.6
140.03606	1.3
141.05472	1.7
143.08499	1.1
145.05487	0.9
145.06471	5.9
145.10057	1.0
147.04462	2.1
147.08057	2.5
149.05972	6.9
153.05455	1.8
155.08617	1.0
159.08043	3.4
161.06020	3.2
161.09615	1.2
163.03893	68.5
163.07506	5.5
164.04254	1.5
165.05478	4.3
167.03394	17.9
168.03072	1.2
171.08060	4.5
173.05965	1.4
175.07500	4.8
177.05476	8.5
177.09114	3.6
179.07112	1.6
181.04944	11.7
182.05281	25.2
183.05463	41.5
184.05635	1.0
185.04155	1.6
185.09584	2.5
186.04114	2.4
189.05478	3.1
189.09103	4.1
191.06995	8.4
191.10573	1.2
199.07617	1.4
199.11110	1.6
201.09059	1.1
203.06998	6.8
203.10635	2.7
205.08621	2.8
213.09152	1.5
217.08574	9.9
217.12212	1.3
231.10262	1.7
241.15796	2.3
250.77141	1.0
259.16904	19.5
260.17200	1.1
269.15405	1.3
287.11819	14.5
287.16397	100.0
287.31461	2.2
288.16644	4.6
305.17514	5.1
305.20502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1275
Annotation	4'-Hydroxy-2',6'-dimethoxydihydrochalcone
Peak:m/z	Relative Intensity
61.15887	0.3
63.11391	0.3
65.03940	2.6
79.05482	2.3
83.01337	0.9
83.04969	0.4
91.05473	91.8
92.05801	1.4
95.04990	0.5
103.05463	1.6
105.07021	100.0
106.07362	1.1
109.06539	0.4
115.05437	2.9
117.07029	0.5
123.08043	0.4
129.07025	0.7
133.06477	16.4
137.05977	1.1
146.09589	0.4
151.07542	0.9
153.05446	2.1
155.07010	7.3
155.08211	0.6
157.06480	0.8
167.07083	2.5
167.08405	0.6
171.04420	0.3
177.05478	1.1
179.07018	1.3
180.09367	0.3
181.04953	3.0
181.08604	0.4
183.02975	0.4
183.06540	4.4
191.07001	4.3
195.06639	0.4
195.11681	0.8
208.08818	0.6
223.11139	0.4
241.12245	0.9
245.04559	0.3
251.10686	0.5
269.11716	3.4
287.05878	1.6
287.12759	16.6
287.31335	1.1
288.13120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	Linderone
Peak:m/z	Relative Intensity
50.74902	0.2
55.01869	0.3
67.01851	0.3
67.05487	0.4
68.99419	0.4
68.99783	8.2
70.00555	0.3
70.18889	0.7
70.19308	0.3
71.01349	0.2
72.07578	0.2
79.01836	0.6
81.03395	0.7
81.07043	0.4
85.06500	0.2
91.05470	1.6
93.07023	0.2
95.34527	0.2
97.02853	0.7
98.20805	0.3
103.05467	2.5
105.07010	0.3
107.04912	0.2
107.08558	0.3
109.02879	1.3
111.00806	1.5
115.05444	0.3
117.06994	0.2
119.08557	0.2
121.02872	0.5
125.02350	0.8
127.03928	0.3
129.06940	0.3
131.04913	3.2
137.02319	0.8
137.05919	0.2
140.01038	2.0
143.03374	0.8
145.06461	0.9
147.04375	1.0
149.02348	0.5
153.01826	0.7
153.02969	0.3
155.03369	0.6
157.06464	0.6
159.04507	0.3
161.05916	0.3
163.03883	0.2
165.01805	0.4
167.03464	0.2
168.00529	8.7
171.04388	3.3
173.05984	1.2
175.03902	1.3
177.05464	0.3
183.02875	100.0
184.03212	2.4
185.06046	0.9
186.01581	9.1
189.05428	0.6
199.03894	5.6
201.05434	1.5
203.03392	1.2
203.07025	0.2
213.05438	2.9
217.04947	2.0
219.06479	1.9
223.03949	0.3
227.03467	1.1
231.06563	0.7
241.04924	1.8
245.04442	4.4
245.08095	0.5
259.05981	0.8
269.04413	1.6
275.51337	0.2
287.05505	21.8
287.09106	39.5
288.05853	1.1
288.09448	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	287.0912
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
53.03931	0.6
55.01861	0.3
55.05511	0.9
57.03421	0.3
57.64734	0.3
62.71141	0.3
65.03939	0.9
67.05501	0.4
68.99782	2.7
69.03401	0.4
69.52174	2.4
71.34105	0.2
73.92181	0.2
74.18379	0.2
74.55975	0.2
79.05484	0.3
81.03413	0.7
81.07010	0.3
83.01334	1.8
83.04977	2.9
91.05473	7.5
95.04954	1.8
97.02879	0.6
107.04955	2.6
109.06565	0.3
111.00771	0.4
111.04414	0.9
119.04932	18.8
120.05215	0.3
121.02841	1.0
121.06498	0.6
123.04407	2.9
137.05986	0.5
145.06461	0.4
147.04393	48.5
148.04729	1.0
157.06419	0.6
161.05922	0.3
165.01816	0.6
165.05424	0.6
167.03381	100.0
168.03743	1.9
171.04390	1.5
173.05940	0.5
175.03912	0.4
183.02853	0.5
185.04459	2.4
185.05898	0.6
189.05400	0.7
193.04932	0.8
199.03883	2.1
201.05438	0.7
203.03432	0.5
209.49918	0.3
213.05437	1.2
217.04936	0.8
219.06490	0.8
241.04970	0.9
245.04362	1.5
245.08073	0.3
258.45673	0.2
263.09232	0.3
269.04309	0.6
269.08157	0.6
287.05591	8.8
287.09076	77.3
288.06216	0.4
288.09409	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.091
Annotation	2',6',beta-Trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
53.03939	1.5
55.01872	0.4
55.05499	0.8
67.05496	0.3
68.99780	4.5
69.03416	0.5
70.84420	0.5
70.84814	0.5
81.03412	0.4
81.07048	0.3
83.01332	0.7
83.04975	1.2
92.33460	0.3
95.04959	2.5
95.39912	0.2
105.03384	39.0
106.03735	0.5
111.00804	0.4
111.04407	0.6
121.02878	0.7
123.04436	0.4
129.07059	0.3
141.05463	7.6
141.90694	0.3
147.04411	5.5
147.72803	0.3
153.01839	1.2
157.06438	0.3
161.73494	0.2
165.01826	0.4
167.03384	100.0
168.03732	2.0
171.04379	0.7
183.02884	0.8
185.05966	0.4
199.03937	1.2
201.05551	0.6
203.03310	0.3
209.09868	0.3
213.05452	1.1
217.04973	0.5
219.06517	0.5
241.04926	0.6
245.04430	1.1
269.04330	0.5
272.05725	0.5
287.05472	14.5
287.08527	1.9
287.23758	0.4
288.05859	0.7
299.89252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
53.03944	0.5
55.01875	0.4
55.05506	1.4
57.03371	0.3
65.03938	1.2
68.99785	2.8
69.03432	0.6
70.75652	0.6
70.76045	0.4
76.02222	0.3
79.05462	0.4
81.03394	0.6
81.07046	0.4
83.01339	1.7
83.04967	2.9
91.05473	8.9
92.84526	0.3
93.03436	0.4
93.07024	0.2
95.04964	2.2
97.02868	0.9
105.07040	0.3
107.04951	3.4
111.00797	1.1
111.04453	0.9
117.02702	0.3
119.04935	20.8
119.08513	0.3
120.05238	0.3
121.02851	1.0
121.06451	0.3
121.10179	0.4
123.04439	3.1
125.02352	0.3
137.05968	0.7
137.75790	0.3
139.03839	0.3
141.11317	0.3
145.06491	0.6
147.04398	49.4
148.04755	0.6
149.02220	0.4
157.06465	0.6
161.06012	0.3
165.01834	0.8
165.05489	0.8
167.03387	100.0
168.03709	1.8
171.04448	1.3
171.11668	0.3
173.05994	0.6
173.13252	0.4
175.03922	0.7
183.02887	0.5
185.04401	1.6
185.05859	0.5
189.05437	1.3
189.12759	0.3
193.04994	0.5
199.03922	2.6
201.05479	0.6
203.03339	0.8
211.57161	0.3
213.05453	1.1
217.04912	0.8
219.06485	0.6
227.03246	0.4
241.04955	1.2
245.04434	1.7
245.08147	0.6
269.04330	0.7
269.07974	0.3
287.05539	8.6
287.09079	63.2
288.06061	0.6
288.09399	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	287.091
Annotation	Linderone
Peak:m/z	Relative Intensity
53.03946	0.3
54.72821	0.3
55.76050	0.3
57.03417	0.4
57.32660	0.3
59.85915	0.2
66.43666	0.2
68.99779	3.0
69.03413	0.4
70.25359	0.4
70.25758	0.8
79.01842	0.7
81.03381	0.6
81.56391	0.3
84.02150	0.3
91.05466	0.6
94.91934	0.3
97.02879	0.8
103.05473	2.8
109.02849	0.9
125.02357	0.5
127.03931	0.4
131.04919	3.5
137.02315	1.1
140.01039	2.4
143.03374	0.5
155.03355	1.0
168.00531	9.9
183.02875	100.0
184.03275	1.4
184.04636	0.4
186.01570	7.7
230.47400	0.3
240.39441	0.3
245.08023	0.8
251.44511	0.3
287.09109	22.0
288.09344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	2',6',beta-Trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
53.03940	0.4
55.01853	0.7
55.47621	0.2
61.28807	0.2
65.03950	0.4
67.01854	0.4
67.05495	0.2
68.99785	4.0
69.03404	0.4
69.07045	0.2
69.74898	0.7
69.75327	0.5
70.36082	0.2
71.01344	0.2
71.60014	0.2
79.05475	0.3
81.03387	0.6
91.05468	2.2
93.03423	0.2
93.07011	0.2
95.04955	0.2
97.02867	0.7
99.04452	0.6
103.05345	0.2
105.03398	0.2
105.07024	0.2
107.04930	0.7
111.00809	0.8
111.04436	1.1
119.04919	4.3
121.02837	0.8
123.04427	0.5
124.01564	2.8
128.06218	0.3
131.04935	0.2
137.02324	1.0
139.03888	0.6
139.05447	0.2
145.06497	0.3
147.04398	8.9
149.02296	0.4
152.01045	2.7
153.01822	0.9
157.06401	0.4
165.01913	0.2
167.03386	100.0
168.03737	2.0
170.02104	4.1
171.04390	1.2
173.05960	0.3
175.03851	0.2
183.02847	1.1
185.06004	0.4
189.05470	0.2
199.03883	1.7
201.05437	0.6
203.03368	0.6
213.05374	1.1
213.09073	0.2
217.04968	0.6
219.06563	0.5
227.03252	0.2
231.06596	0.2
241.04892	0.7
245.04454	1.2
245.08093	0.5
258.05103	0.2
259.05991	0.3
269.04410	0.6
287.05521	13.0
287.09128	28.5
288.05774	0.5
288.09399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
55.01855	0.5
56.81220	0.2
68.99785	21.2
69.62847	1.2
69.63284	0.9
81.03394	0.4
91.05444	0.4
101.83784	0.2
103.05447	0.3
105.03366	0.3
105.07008	0.4
109.02882	0.6
111.00794	5.7
115.05410	1.8
117.06995	1.0
119.04964	0.3
121.02866	0.9
123.04421	0.7
127.03887	0.4
128.06216	0.6
129.06998	1.1
131.04938	0.6
133.02838	0.4
133.06464	0.3
137.02328	2.3
139.05463	0.5
141.06999	0.6
142.61975	0.3
143.04915	0.9
145.06493	3.4
147.04395	1.6
149.02347	2.3
151.03851	0.3
153.01825	0.4
155.04897	0.6
157.06458	3.8
159.04367	0.6
161.05983	1.2
165.01898	0.3
165.05492	0.3
167.04948	0.5
171.04405	15.8
173.05978	5.7
175.03899	3.5
177.01796	0.5
177.05420	1.3
179.49947	0.3
183.04428	0.4
184.05212	0.4
185.05965	4.7
189.05449	2.9
190.06276	0.2
191.06979	0.5
195.04408	1.2
197.05988	1.4
199.03893	22.6
200.04211	0.6
201.05453	7.1
203.03357	4.5
203.07033	0.4
212.04668	1.5
213.05461	12.1
216.04112	0.4
217.04938	9.7
218.05679	0.8
219.06509	8.6
220.06900	0.3
223.03888	0.9
225.05475	0.5
227.03381	5.0
231.06494	2.7
240.04172	1.0
241.04944	9.4
241.07431	0.5
242.05653	0.8
245.04436	19.2
246.04860	0.5
259.06039	2.9
269.04419	7.8
270.05133	0.7
287.05472	100.0
288.05832	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	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.99493	0.1
55.01860	0.2
59.71552	0.1
60.55942	0.1
61.48533	0.2
65.03929	0.3
67.01842	0.4
68.99416	0.2
68.99783	2.4
69.03429	0.2
69.53088	0.6
69.53505	0.5
79.05478	0.4
81.03415	0.2
91.05458	0.2
95.04935	0.3
97.02862	0.1
102.43067	0.1
103.05436	0.2
105.03381	1.0
107.04938	1.2
109.02888	0.8
111.00800	1.5
111.04423	0.3
115.05446	0.3
117.06997	0.1
120.75563	0.1
121.02850	6.3
127.03848	0.2
129.06973	0.3
133.02837	0.8
135.04395	0.4
137.02327	2.0
141.06943	0.3
145.06494	0.7
147.04384	1.4
149.02315	0.2
153.01805	9.9
157.06476	1.4
161.05899	0.4
165.01807	3.3
171.04361	0.8
173.05954	0.2
175.03784	0.3
183.02847	1.5
185.05920	1.0
189.05467	0.4
197.05870	0.3
199.03870	0.5
201.05481	0.2
203.03392	0.2
203.06937	0.2
213.05431	3.2
214.23293	0.1
217.04953	0.3
219.06555	0.2
229.04935	0.4
231.06471	1.2
241.04947	1.6
243.06529	0.2
245.04445	0.4
258.05240	2.0
259.05859	0.7
269.04468	0.6
286.04752	0.2
287.05460	100.0
288.05792	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	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
52.01623	0.1
53.03929	0.2
55.01850	0.2
55.63185	0.1
65.03923	0.4
67.01862	0.4
68.99417	0.2
68.99787	3.0
69.03419	0.3
70.51060	0.3
73.80492	0.1
79.05481	0.7
81.03425	0.4
85.33855	0.1
91.05470	0.2
93.03386	0.1
94.04180	0.1
95.04951	0.4
97.02850	0.2
103.05460	0.3
105.03389	1.1
107.04253	0.1
107.04950	1.3
109.02870	0.9
111.00797	1.7
111.04446	0.6
115.05431	0.3
117.07014	0.1
119.04934	0.3
121.02859	8.2
121.03862	0.3
121.06457	0.1
127.03914	0.3
128.06236	0.2
129.07011	0.5
133.02846	1.0
134.03618	0.1
135.04411	0.5
137.02327	2.6
139.05470	0.2
141.06969	0.3
143.04904	0.2
145.06465	1.0
147.03334	0.1
147.04404	1.8
149.02307	0.2
150.01233	0.1
151.03925	0.1
153.01817	13.0
154.02032	0.1
155.06027	0.2
157.02922	0.1
157.06483	1.5
158.06808	0.1
160.05228	0.1
161.05945	0.6
163.51283	0.1
165.01828	3.9
166.02534	0.2
169.06464	0.2
171.04373	1.2
171.05670	0.1
173.05923	0.2
175.03835	0.4
175.07487	0.2
179.03484	0.1
180.39748	0.1
183.02892	2.0
184.05177	0.2
185.05968	1.6
189.05443	0.4
191.03360	0.1
194.02100	0.1
197.06015	0.4
199.03914	0.5
201.05559	0.2
203.03452	0.3
203.07034	0.4
212.04723	0.1
213.05452	4.5
214.05888	0.1
216.04150	0.3
217.04919	0.3
219.06557	0.2
225.05341	0.1
227.03372	0.2
229.04915	0.5
230.05655	0.1
231.06465	1.7
241.04953	2.3
242.05502	0.1
243.06497	0.2
245.04474	0.4
257.04556	0.2
258.05209	2.3
259.06009	1.1
269.04370	0.7
287.05475	100.0
288.05798	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	287.0547
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
55.01861	0.8
68.99786	27.7
70.95629	1.1
97.68351	0.3
105.06957	0.3
111.00801	7.7
115.05441	1.3
117.06980	0.7
119.80781	0.4
121.02858	0.5
121.68843	0.4
128.06166	0.7
129.06996	1.3
131.04906	1.0
133.02872	0.7
139.05424	0.8
143.04898	0.8
145.06483	4.1
147.04411	2.5
149.02359	2.8
153.01843	0.5
155.04880	0.9
155.06012	0.5
157.06490	3.7
159.04430	1.1
161.05975	1.2
163.03915	0.5
167.04811	0.5
171.04398	17.8
173.05972	7.1
175.03918	4.9
177.01822	0.6
177.05453	1.6
183.04338	0.7
185.05960	5.1
189.05458	3.7
191.07011	1.0
195.04372	0.7
197.06044	0.8
199.03889	31.7
200.04227	0.9
201.05467	10.7
202.05823	0.6
203.03360	7.0
203.07074	0.5
213.05453	14.5
214.05850	0.6
217.04945	13.1
218.05629	1.2
219.06516	13.1
220.06807	0.5
223.03857	1.0
225.05392	0.8
227.03362	6.7
231.06467	1.9
241.04926	10.1
242.05554	1.3
245.04437	27.3
246.04813	0.6
259.06030	3.8
269.04404	8.8
270.05096	0.6
287.05475	100.0
288.05771	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
51.23404	0.5
68.99783	26.5
70.65495	1.6
74.04767	0.5
75.33855	0.5
91.05444	0.5
111.00790	7.9
115.05428	1.5
119.04872	0.8
128.06221	0.6
129.06987	1.5
131.04877	0.7
133.02805	0.8
139.05431	1.3
141.06970	0.6
143.04930	1.1
145.06490	3.9
147.04387	3.0
149.02315	2.0
155.04851	0.8
157.06483	4.0
159.04390	0.8
161.05963	1.2
167.04926	0.5
171.04393	18.8
173.05962	9.4
174.06395	0.5
175.03888	5.4
177.01747	0.5
177.05455	2.3
183.04338	0.8
185.05972	4.2
189.05449	3.5
191.06937	0.6
195.04405	0.8
197.05956	1.2
199.03891	28.6
201.05437	11.0
202.30020	0.5
203.03362	7.2
204.49675	0.6
213.05440	14.1
217.04932	14.7
218.05515	1.8
219.06503	9.4
223.03900	1.3
227.03404	7.4
231.06497	1.8
241.04910	11.7
242.05589	0.6
245.04440	28.7
246.04794	0.7
259.05966	4.4
269.04425	9.6
270.05017	0.8
287.05472	100.0
288.05777	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	287.0547
Annotation	Norartocarpetin
Peak:m/z	Relative Intensity
50.07605	0.5
55.01861	0.7
56.72053	0.5
68.99787	36.8
71.16442	0.7
71.16795	1.0
72.20254	0.4
75.55347	0.4
82.43524	0.5
86.13240	0.5
91.05464	0.8
102.80085	0.4
111.00798	10.0
115.05493	2.7
117.07018	1.5
119.04928	0.8
127.03912	0.8
128.06186	1.0
129.06979	1.8
131.04875	1.0
133.02846	0.9
133.06552	0.7
139.05400	1.3
141.06990	0.9
143.04921	1.5
145.06451	5.7
147.04390	5.1
149.02327	4.1
153.01823	1.3
155.04942	1.0
155.91226	0.6
157.02820	0.8
157.06482	5.2
159.04422	1.8
161.05971	2.1
167.04987	0.7
169.06514	0.5
171.04404	28.7
172.04718	0.7
173.05983	11.3
175.03893	9.3
176.04337	0.5
177.05489	3.1
183.04404	0.9
185.05995	6.8
187.03928	0.8
189.05435	5.5
191.06993	0.7
195.04329	1.1
197.06023	2.4
199.03889	40.0
200.04323	1.0
200.98506	0.5
201.05449	13.9
203.03375	11.4
203.07054	0.7
213.05460	19.1
214.05756	0.6
217.04959	17.3
218.05624	2.2
219.06509	11.8
223.03960	2.0
225.05519	0.7
227.01299	0.8
227.03394	8.7
231.06514	2.1
241.04964	13.5
242.05479	0.8
245.04437	28.4
259.06042	3.8
269.04446	10.2
270.05222	0.7
287.05481	100.0
288.05820	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01853	0.2
65.03930	0.5
67.01842	0.5
68.99780	3.2
69.03414	0.4
71.22070	0.3
71.22434	0.2
79.05467	0.8
81.03407	0.4
93.03371	0.2
94.88181	0.2
95.04966	0.3
105.03370	1.0
107.04935	1.5
109.02858	0.8
111.00797	1.8
111.04413	0.7
115.05423	0.3
119.04901	0.2
121.01978	0.4
121.02853	7.7
127.03872	0.3
129.06085	0.1
129.06985	0.7
133.02827	1.2
135.04391	0.5
137.02325	2.5
141.06940	0.4
145.06474	0.8
147.04404	1.5
149.02299	0.2
153.01811	12.4
157.06500	1.5
161.02429	0.2
161.05952	0.7
165.01819	4.1
165.03191	0.2
167.46812	0.2
169.06551	0.2
171.03075	0.3
171.04333	1.2
173.05946	0.3
175.03912	0.3
183.02869	2.2
185.05943	1.0
189.05452	0.4
197.05991	0.3
199.03909	0.9
201.05392	0.3
203.03375	0.4
203.07043	0.6
213.05446	4.5
215.48131	0.2
217.04996	0.3
229.04968	0.6
231.06487	1.6
240.04094	0.2
241.04929	1.8
243.06561	0.2
245.04388	0.5
258.05225	3.0
259.05978	1.2
262.86514	0.2
269.04440	0.5
287.05472	100.0
288.05743	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	285.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.05509	7.2
57.03423	2.2
57.07076	4.2
63.00036	1.0
65.03941	1.0
67.05492	14.8
68.99812	0.8
69.03404	0.9
69.07068	12.0
71.08622	1.5
71.71484	1.1
79.05479	8.4
81.03390	2.0
81.07050	27.9
83.01322	3.6
83.04954	2.2
83.08607	6.3
85.02879	2.1
85.11464	0.7
86.84559	0.8
91.05463	10.8
92.87646	0.7
93.07036	14.7
95.04956	3.5
95.08596	27.5
97.02897	1.0
97.06476	2.0
97.10143	2.4
101.15712	0.8
103.05464	17.7
104.05772	0.7
105.07021	17.8
107.04942	2.9
107.08585	22.3
109.06538	0.9
109.09422	1.3
109.10146	20.4
109.19695	0.7
117.07005	2.7
119.08570	19.7
120.12891	0.7
121.10133	17.9
123.11694	12.3
125.05998	0.8
129.07019	1.0
131.04916	32.4
131.08556	7.0
132.05257	1.6
133.10118	13.5
135.04459	1.0
135.11688	10.0
137.13205	4.0
137.98744	0.8
138.03093	1.7
144.09322	1.0
145.10110	9.9
147.10619	1.0
147.11693	14.8
149.13252	9.2
153.05420	1.3
157.10150	1.9
159.11681	12.0
160.84256	0.8
161.05952	0.8
161.13255	14.5
163.03932	1.6
163.14810	8.1
165.12689	0.9
166.02591	0.9
171.01381	1.3
171.11642	1.0
173.05946	1.0
173.13254	9.9
175.11176	1.4
175.14824	11.3
177.05264	0.7
177.16428	3.8
179.07048	1.8
181.04942	100.0
182.05322	3.4
184.03693	1.7
187.14772	5.7
189.16405	7.5
191.17920	3.3
193.12253	2.8
194.05708	0.8
199.06003	3.5
201.16389	8.5
203.17967	4.2
207.06448	1.2
211.13161	1.1
215.17949	9.3
229.19524	10.3
243.10150	0.9
243.21027	3.0
248.63852	0.8
285.07846	2.3
285.11188	61.4
285.16568	1.9
285.25760	69.5
286.11609	6.2
286.26004	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01864	6.6
55.05505	25.5
57.03165	3.2
57.03434	56.1
58.82657	1.9
59.05009	2.9
60.05764	2.0
62.50626	1.9
67.05502	46.8
68.99794	2.6
69.03426	7.6
69.07076	12.6
71.04987	11.3
71.46404	2.4
71.46738	3.6
72.65608	1.9
76.59882	1.9
79.05487	41.1
80.57345	2.0
81.03410	100.0
81.07050	50.6
81.07420	1.6
83.04971	24.8
83.08609	35.3
85.02899	82.1
85.06527	5.9
91.05474	61.7
93.07034	28.2
95.04958	45.0
95.08591	21.6
97.02880	9.5
97.06506	6.8
97.10184	5.6
98.98479	2.3
103.05471	4.5
105.07024	37.0
107.04956	9.1
107.08572	13.9
109.06524	10.6
109.10139	5.3
111.04446	4.2
111.08065	22.6
113.05998	7.7
114.89886	2.1
115.05408	3.1
117.07049	2.8
119.08565	36.1
121.06510	3.3
121.10116	21.2
123.08050	2.5
123.11684	2.7
129.07002	17.0
131.04904	4.5
131.08568	18.3
133.06490	3.7
133.10109	15.7
137.09583	3.4
141.01811	2.6
142.07744	5.8
147.08067	5.9
147.11676	30.4
149.09636	12.9
157.10118	26.8
161.06017	4.3
165.01846	38.5
165.07100	2.3
165.12756	3.8
175.11176	27.1
181.04980	21.0
182.07462	2.8
183.02875	38.8
193.12230	83.5
211.13289	65.4
225.09077	5.7
253.08539	7.3
267.10385	2.4
267.15915	7.7
285.04407	2.5
285.07574	8.6
285.11237	17.6
285.16916	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01856	5.9
55.05506	27.4
57.03433	53.0
59.04985	2.0
59.22700	1.2
65.03922	1.4
67.05151	2.2
67.05499	37.8
69.03406	5.8
69.07059	13.2
70.30347	4.6
71.04987	11.3
79.05036	2.6
79.05486	38.4
81.03412	85.5
81.07051	54.1
81.07473	1.0
83.04977	17.4
83.08118	2.0
83.08613	38.9
85.02898	84.8
85.06533	4.6
87.04430	2.0
88.07630	2.1
91.05479	43.5
93.06452	1.4
93.07037	24.2
95.04964	42.8
95.08598	18.1
97.02879	5.1
97.06495	4.7
97.10136	3.7
99.08082	1.6
102.09097	1.2
103.05455	4.8
105.07025	30.9
107.04936	6.3
107.08565	11.5
109.06496	7.5
109.10147	6.9
111.04422	4.1
111.08077	20.7
113.06018	9.2
113.88737	1.2
115.05404	2.7
117.06953	2.1
119.04878	1.6
119.08570	31.0
121.06480	2.2
121.10136	18.8
123.08049	5.4
123.11675	5.3
125.09592	1.4
129.06998	17.6
131.04868	5.6
131.08571	12.6
133.06462	4.2
133.10110	16.8
137.09621	2.8
142.07738	3.7
145.10074	3.4
147.07993	4.3
147.11674	29.8
149.09607	9.3
157.10103	21.5
161.05914	1.8
163.03798	1.7
165.07024	2.2
165.12756	7.8
175.11165	27.7
181.04958	22.5
193.06473	2.6
193.12233	100.0
194.12700	1.8
211.13280	72.7
221.05894	1.7
225.09050	3.5
253.08511	7.9
261.00375	1.4
267.06583	1.9
267.15955	2.9
267.24231	5.2
285.07553	3.2
285.11227	14.5
285.16940	59.6
285.22195	3.4
285.25201	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01861	2.1
55.05507	18.1
55.51709	0.6
57.03432	27.6
57.07070	2.0
59.04990	0.9
59.46070	0.5
65.03931	1.4
67.05499	38.6
69.03430	2.1
69.07061	20.0
69.38161	5.6
69.38578	1.4
71.04630	0.7
71.04991	7.5
73.06546	0.9
79.05486	24.3
81.03419	13.8
81.07050	100.0
83.04980	11.0
83.08617	14.4
85.02899	12.7
85.06540	5.8
90.54166	0.8
91.05475	32.2
93.07041	15.8
94.06260	0.6
95.04971	8.7
95.08596	24.1
97.06521	7.4
97.10167	1.3
98.20599	1.1
99.04472	0.7
99.08101	4.2
101.06026	1.5
103.05467	0.9
105.07021	41.8
107.04947	1.1
107.08579	13.0
109.06516	6.6
109.10150	2.3
111.04404	0.8
111.08102	4.3
113.05984	2.5
117.06988	0.8
119.08571	29.5
120.08871	0.7
121.06448	0.6
121.08786	0.9
121.10128	21.4
123.08044	4.7
123.11697	29.1
125.09583	1.1
127.07564	2.7
129.06992	4.4
131.08577	4.3
133.06473	1.1
133.10092	3.7
137.02330	0.7
137.09616	0.8
137.13245	2.7
141.09079	1.1
142.07797	0.9
145.10092	0.9
147.11676	72.2
148.12024	0.8
149.09590	2.1
151.11176	0.7
151.80556	0.6
157.10135	6.9
165.12746	36.8
175.11194	6.4
181.04936	4.8
183.13857	3.1
193.12242	18.4
211.13313	12.1
219.07153	0.7
225.08990	0.7
229.14372	5.0
253.08589	1.2
267.15952	3.4
282.15909	0.7
285.07993	4.5
285.11191	3.1
285.16937	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01860	2.1
55.05508	15.3
56.09408	0.7
57.03160	1.2
57.03434	19.6
57.07067	1.5
57.84423	0.8
58.59287	0.6
59.05002	1.0
65.03933	1.0
67.05497	30.8
69.07064	17.8
69.67870	5.6
71.04999	6.1
79.05486	18.5
81.07050	100.0
83.04974	7.2
83.08614	9.2
85.06534	6.3
87.22803	0.8
90.16420	0.8
91.05475	23.6
93.07040	12.1
95.04951	2.7
95.08597	21.0
97.06538	6.6
97.10160	1.6
98.21407	1.5
99.08093	4.3
101.06017	1.7
103.05458	1.0
105.07021	35.4
107.08590	12.7
107.09325	0.7
109.06516	5.5
109.10164	1.2
110.17358	0.7
111.08064	1.4
112.93188	0.7
113.05969	1.7
119.08572	27.8
121.10128	20.0
123.08062	4.7
123.11700	31.2
127.07536	2.7
129.07016	2.7
131.08643	1.0
133.10129	2.3
137.13271	2.1
141.09074	1.6
145.10130	0.8
147.11673	79.2
148.12025	0.8
157.10123	4.1
165.12744	38.5
175.11220	3.2
183.13762	4.6
189.13429	0.7
193.12251	2.7
194.32602	0.8
211.13211	0.8
211.68576	0.8
229.14351	6.6
267.15927	3.6
285.16946	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01860	1.4
55.05511	16.3
57.03168	1.7
57.03433	24.3
65.03924	1.1
67.05161	2.3
67.05503	35.4
69.07063	19.2
70.83582	3.8
71.04996	5.7
79.05485	21.0
81.03417	8.4
81.07053	100.0
82.07418	1.2
83.04977	9.1
83.08614	8.8
85.02879	3.4
85.06547	6.2
87.04450	2.1
91.04936	2.0
91.05477	25.8
93.07038	12.3
95.04970	5.5
95.08597	19.1
97.06496	6.3
97.10149	1.9
99.08079	4.9
101.06011	2.2
103.05447	1.5
105.06356	1.9
105.07026	35.8
107.04937	2.2
107.08579	13.4
109.06515	5.7
109.10127	2.6
111.08067	2.1
113.05937	1.2
115.07552	1.3
117.07022	1.1
119.08575	30.8
121.10149	20.8
123.08059	4.1
123.11697	29.5
127.07581	2.5
129.06979	2.3
131.08540	1.8
133.10121	2.1
137.09636	1.1
137.13187	1.5
141.09111	1.8
147.11679	79.0
157.10112	4.5
165.12752	40.4
175.11194	4.3
181.04961	2.8
183.13739	3.4
187.46312	1.1
193.12253	6.6
211.13246	3.1
229.14308	8.4
253.08513	2.6
267.15994	3.7
285.03983	3.0
285.07367	1.2
285.11838	1.5
285.16956	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.1
55.01862	7.6
55.05278	2.3
55.05507	28.5
57.03432	58.8
59.05005	2.8
65.03959	2.2
67.05499	51.9
68.74035	1.6
69.03414	7.4
69.07076	9.5
69.68917	5.9
69.69340	9.7
71.04989	12.1
79.05485	43.1
81.03413	100.0
81.07054	59.8
83.04974	19.6
83.08613	34.6
85.02898	85.0
85.06530	5.3
87.04420	2.0
91.05473	58.6
93.07043	35.1
95.04963	49.4
95.08601	23.9
97.02863	5.8
97.06521	5.4
97.10147	3.8
98.20535	2.4
99.08056	2.5
103.05496	3.5
105.07025	44.2
107.04952	9.7
107.08607	10.9
109.06530	8.8
109.10130	3.9
111.04426	7.7
111.08081	20.2
113.05996	5.0
115.05446	2.1
117.06951	2.9
119.08582	33.8
121.10146	15.8
123.08044	6.0
123.11732	4.1
124.14752	1.8
129.05508	2.2
129.06990	17.1
131.04883	3.5
131.08562	21.5
133.06450	3.3
133.10109	16.4
142.07776	6.7
145.10075	3.5
147.08076	5.1
147.11671	30.6
149.09616	8.0
153.01834	3.4
157.10114	29.0
161.05928	2.4
165.07040	1.9
165.12766	6.5
175.11171	27.0
181.04959	8.7
193.12225	90.6
194.12650	2.3
211.13287	56.5
218.62836	1.8
225.09038	2.4
225.98099	1.9
244.11673	1.9
253.08589	5.9
267.15851	5.5
267.26019	1.8
285.07947	3.4
285.11276	7.5
285.16931	64.7
300.39072	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01870	2.3
55.05509	16.7
57.03178	1.3
57.03435	24.2
63.39492	1.0
65.03949	2.0
67.05499	35.4
68.99785	6.8
69.07066	23.0
70.72052	3.6
70.72412	1.2
71.05001	5.9
71.51457	1.1
79.05491	19.0
81.03410	4.6
81.07052	100.0
83.01337	38.4
83.01840	1.7
83.04976	8.1
83.08604	11.6
85.02892	2.9
85.06533	7.1
91.05473	32.1
92.99776	1.8
93.07043	14.1
95.04951	4.6
95.08602	17.7
97.06515	6.7
99.08074	4.2
105.07024	43.2
107.04975	1.2
107.08581	10.5
109.06487	6.1
109.10126	2.3
111.08044	2.3
113.06021	2.4
119.08577	27.9
121.10133	21.5
123.08083	5.6
123.11704	32.9
125.02356	5.0
127.07521	3.0
129.06976	3.2
131.08548	2.4
133.10132	3.3
137.13286	2.5
141.09042	2.0
147.11678	70.0
153.01814	28.8
157.10139	3.9
165.12741	36.8
171.02905	2.7
175.11159	3.2
180.41498	1.2
181.01305	8.0
181.04930	4.2
183.13818	3.9
193.12215	4.1
199.02374	49.3
199.06201	1.5
200.03078	1.3
211.13484	2.6
229.14288	4.2
241.01872	1.1
267.15952	4.9
270.05200	8.0
284.10324	1.4
285.07529	12.1
285.10541	2.5
285.16956	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.01843	1.4
55.05510	17.6
57.03172	2.0
57.03430	21.8
57.07053	2.4
59.76659	1.4
61.31100	1.2
65.03925	1.1
67.05503	34.8
69.07066	18.9
69.67812	7.1
69.68219	2.6
71.04999	7.3
71.08605	1.5
79.05483	19.9
81.03403	1.8
81.07050	100.0
83.04978	8.0
83.08617	10.4
85.06532	7.7
89.77283	1.2
91.04951	2.4
91.05472	31.4
93.07042	12.9
95.04955	4.2
95.08603	19.8
97.06537	6.9
98.21452	2.4
99.08067	5.1
101.05971	1.8
103.05453	3.7
105.07023	37.4
107.08588	10.5
109.06537	7.0
109.10119	3.9
111.08056	1.6
113.05991	1.6
119.08578	28.9
121.10136	22.9
123.08053	3.3
123.11706	30.5
127.07546	3.2
129.06978	1.9
131.04916	5.1
131.08571	1.7
133.10101	4.0
137.13222	1.9
147.11676	67.4
148.11942	1.2
157.10066	3.5
165.12743	39.0
175.11127	1.7
181.04959	24.5
183.13783	5.0
193.12207	3.3
211.13312	2.1
229.14311	5.9
267.15845	2.8
285.07950	2.6
285.11206	14.3
285.16904	46.3
285.21802	1.9
289.99457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17758	1.0
51.02374	1.2
53.03936	1.4
55.01868	2.5
55.05509	18.1
57.03435	22.2
57.07042	1.1
59.04976	0.9
65.03936	1.2
67.05155	1.9
67.05501	33.9
68.99777	1.5
69.07066	20.3
69.55374	9.7
71.04995	6.5
71.08631	1.2
73.06535	1.2
74.53592	1.0
79.05489	20.7
81.03413	6.3
81.07051	100.0
83.01343	5.6
83.04975	8.2
83.08616	11.8
85.02882	5.5
85.06543	7.2
88.11257	1.5
91.05475	28.6
93.07047	12.6
95.04964	7.2
95.08029	1.6
95.08602	23.2
97.06522	8.7
97.10123	0.9
98.21429	1.5
99.08074	4.1
101.05996	1.7
105.03394	1.5
105.07021	37.8
107.04951	3.7
107.07909	1.6
107.08586	12.0
109.06506	5.1
109.10155	3.4
111.04443	2.2
111.08064	2.6
113.06019	4.0
117.06996	1.5
119.08574	29.7
120.40237	1.1
121.10139	22.6
123.08070	4.1
123.11700	32.2
127.07573	2.8
129.06989	3.6
131.08556	2.1
132.47386	0.9
133.10118	3.3
135.04420	4.1
137.13275	2.4
141.09082	1.1
142.07854	1.0
145.10141	1.3
147.11678	75.1
149.09509	1.0
153.01848	2.0
157.10089	5.0
163.03925	2.8
165.12750	39.9
168.00523	3.4
170.15376	5.9
175.11227	5.5
181.04930	14.3
183.13838	4.5
186.01564	1.3
193.12219	8.5
198.14873	6.6
199.02406	6.8
199.06020	3.6
200.42487	0.9
211.13222	4.8
229.14285	4.8
267.15945	3.8
270.05182	16.3
271.05594	1.5
285.07599	46.6
285.11111	5.6
285.14029	2.2
285.16977	42.3
286.07904	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01856	1.9
55.05284	1.3
55.05501	14.2
57.03431	24.0
57.07048	1.5
63.00010	1.2
65.03911	1.7
67.05495	35.9
69.03419	1.4
69.07053	18.4
71.04973	5.2
79.05048	1.4
79.05484	22.9
81.03403	5.2
81.07046	100.0
83.01292	1.5
83.04958	8.3
83.08598	11.4
85.02869	4.3
85.06532	6.6
91.05463	28.2
93.07031	14.3
95.04955	6.7
95.08593	22.6
97.06523	9.3
97.10149	1.4
99.08067	4.9
101.05979	1.9
102.06564	1.0
103.05464	9.2
105.07015	38.4
107.04933	1.3
107.08583	12.6
109.06494	8.4
109.10123	3.4
111.08015	1.7
113.05998	1.1
115.07540	1.1
119.08564	27.2
121.10123	21.6
123.08047	4.5
123.11689	29.5
127.07519	2.5
129.06993	2.1
131.04904	16.8
131.08527	1.8
133.10100	4.3
133.86110	1.1
137.13217	2.7
138.02985	1.1
147.11668	76.4
157.10126	3.9
165.12735	37.0
175.11232	5.0
181.04939	47.6
182.05318	1.3
183.13727	3.5
184.03659	1.3
193.12270	6.9
195.30002	1.2
211.13284	3.3
222.96745	1.4
229.14326	4.9
267.15817	4.0
285.07925	1.8
285.11215	30.3
285.16913	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66866	0.7
52.92818	0.6
53.03920	2.2
55.01849	2.1
55.05505	10.8
57.03432	18.4
57.07050	1.3
60.74863	0.6
63.00052	0.7
65.03925	1.3
67.05497	28.8
69.03411	2.7
69.06703	0.9
69.07063	14.3
69.37771	8.4
71.04998	4.9
79.05042	1.0
79.05483	19.6
80.10298	0.7
81.03406	3.5
81.07048	83.1
83.01332	2.7
83.04975	7.5
83.08608	8.3
85.02884	3.3
85.06523	6.5
91.05476	23.0
93.07036	10.8
95.04955	5.2
95.08604	16.0
97.02882	0.9
97.06525	6.8
97.10155	1.1
99.08077	3.2
101.06033	1.0
103.05460	16.5
105.07018	29.1
107.04942	3.3
107.08582	11.1
109.05865	0.7
109.06499	4.8
109.10132	4.5
111.04428	1.0
111.08076	1.7
111.25436	0.8
113.06001	2.0
117.06987	1.1
119.08570	22.6
121.06511	0.9
121.10135	14.9
123.08067	3.7
123.11689	21.2
125.05969	1.3
127.07539	1.9
129.06982	2.1
131.04921	30.9
131.08551	2.4
131.24432	0.9
133.06477	1.3
133.10101	2.8
135.04410	3.2
135.08000	0.8
136.25537	0.8
137.13232	2.2
138.03067	1.5
141.09073	1.2
141.36104	0.7
143.08566	0.7
145.10081	1.5
146.40924	0.7
147.11676	57.4
148.12044	1.0
149.05925	1.2
149.09627	1.4
153.05397	1.7
155.01816	0.7
157.10126	3.7
163.03905	2.1
165.11343	1.5
165.12750	27.9
166.02603	1.8
171.01437	4.4
171.02655	0.8
173.05952	0.8
175.11130	3.6
177.05379	0.9
179.07028	2.0
181.04945	100.0
182.05318	2.2
183.13838	1.8
184.03632	3.1
184.43631	0.7
189.83983	0.8
193.12245	4.6
199.05991	1.3
201.09094	3.3
211.13179	1.8
215.07182	0.9
222.44783	0.7
229.08560	2.0
229.14339	4.1
230.45444	0.7
237.09714	1.1
242.05650	0.9
243.10161	1.5
257.15378	3.3
267.15854	3.3
285.07831	2.6
285.11215	56.8
285.16928	28.4
285.21646	1.1
285.29977	0.8
285.33411	1.2
286.11469	3.3
286.17307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
54.73922	1.1
55.01842	2.9
55.05291	1.3
55.05507	14.3
57.03430	23.9
57.07055	2.3
65.03925	2.6
67.05499	36.2
69.06709	1.3
69.07062	22.0
71.04976	6.7
79.05487	19.5
81.03412	1.4
81.07049	100.0
83.04976	6.9
83.08633	8.6
85.02824	1.2
85.06538	6.6
91.04947	2.0
91.05476	25.7
93.07037	14.1
95.04946	3.8
95.08592	20.8
97.06509	6.0
99.08076	5.0
101.05997	2.2
103.05434	4.4
105.07020	36.3
107.08581	11.5
109.06532	5.9
109.10133	1.4
113.05975	1.4
119.08577	29.1
121.10135	20.7
123.08080	5.0
123.11697	29.3
127.07535	2.7
129.06960	2.4
131.04910	7.9
133.10132	1.7
137.13213	2.3
145.10085	1.1
147.11673	73.2
157.10081	3.9
165.12733	34.4
175.11169	3.9
181.04953	22.3
183.13786	5.3
193.12215	4.3
211.13318	1.2
229.14293	5.9
259.77774	1.0
267.15866	4.0
285.11356	11.9
285.16913	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.01868	5.6
55.05505	28.0
57.03166	3.7
57.03432	59.7
57.03717	3.0
67.05498	45.8
69.03416	7.9
69.07065	13.0
71.04992	10.9
79.05484	38.2
81.03408	95.8
81.07047	56.1
83.01340	2.6
83.04974	23.6
83.08617	35.3
85.02895	92.3
85.06538	5.0
86.09617	1.8
91.05475	52.0
93.07039	26.2
95.04958	48.4
95.08587	18.4
97.02911	4.7
97.06528	8.6
97.10154	5.3
98.20663	3.8
103.05458	22.0
105.07018	37.8
105.07707	2.6
107.04929	10.8
107.08582	13.0
109.06519	6.8
109.10149	5.8
111.04456	4.4
111.08068	22.5
111.14308	2.0
113.06003	9.1
115.05457	2.2
117.07066	3.1
119.08569	31.8
121.06487	2.2
121.10139	16.2
123.08054	4.2
123.11688	4.1
129.07011	17.8
131.04906	38.4
131.08553	18.2
133.06488	4.3
133.10114	17.2
137.09567	2.9
142.07770	3.2
145.10068	3.7
147.08054	4.0
147.11670	26.4
149.09613	8.9
157.10118	26.6
165.12750	5.4
171.01350	2.5
175.11206	26.9
181.04938	100.0
193.12230	92.3
211.13280	66.8
267.15839	3.7
285.08008	4.3
285.11237	59.0
285.16879	64.7
286.11481	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01855	3.9
55.05507	14.5
57.03434	29.7
61.49569	0.8
65.03929	2.0
67.05503	23.7
69.03410	3.8
69.07053	6.1
70.33086	1.9
70.33481	2.0
71.04993	6.6
79.05490	25.5
81.03413	48.7
81.07052	30.0
82.03795	0.9
83.01330	2.4
83.04971	10.6
83.08114	1.2
83.08611	19.9
85.02898	50.4
85.06539	2.2
91.05476	29.5
93.07039	16.8
94.78877	0.9
95.04961	22.2
95.08592	10.4
97.02891	3.6
97.06532	4.9
97.10122	1.7
99.04411	1.2
103.04847	1.3
103.05467	15.9
105.07023	21.2
107.04976	4.7
107.08585	6.5
109.06505	4.1
109.10114	2.9
111.04424	2.6
111.08070	10.2
113.05999	4.9
115.05426	1.0
117.07006	1.3
119.08578	17.1
121.10130	9.2
123.08070	2.8
123.11686	3.3
129.06987	8.8
131.04924	28.5
131.08574	9.9
133.06499	2.7
133.10115	8.8
137.09630	2.3
138.03061	2.1
142.07762	1.7
145.10109	2.2
147.08066	2.0
147.11679	16.9
149.09610	4.6
151.07573	0.9
156.42419	0.9
157.10110	13.8
165.12743	3.8
166.02626	2.3
175.11169	13.3
181.04948	100.0
182.05316	2.8
184.03668	3.9
193.12233	50.5
199.06038	1.4
209.27493	1.0
211.11243	1.7
211.13274	35.5
229.54428	0.9
252.73138	1.0
285.08136	2.2
285.11215	56.5
285.16867	26.4
285.21722	1.3
285.29651	1.1
286.11502	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01855	3.9
55.05507	14.5
57.03434	29.7
61.49569	0.8
65.03929	2.0
67.05503	23.7
69.03410	3.8
69.07053	6.1
70.33086	1.9
70.33481	2.0
71.04993	6.6
79.05490	25.5
81.03413	48.7
81.07052	30.0
82.03795	0.9
83.01330	2.4
83.04971	10.6
83.08114	1.2
83.08611	19.9
85.02898	50.4
85.06539	2.2
91.05476	29.5
93.07039	16.8
94.78877	0.9
95.04961	22.2
95.08592	10.4
97.02891	3.6
97.06532	4.9
97.10122	1.7
99.04411	1.2
103.04847	1.3
103.05467	15.9
105.07023	21.2
107.04976	4.7
107.08585	6.5
109.06505	4.1
109.10114	2.9
111.04424	2.6
111.08070	10.2
113.05999	4.9
115.05426	1.0
117.07006	1.3
119.08578	17.1
121.10130	9.2
123.08070	2.8
123.11686	3.3
129.06987	8.8
131.04924	28.5
131.08574	9.9
133.06499	2.7
133.10115	8.8
137.09630	2.3
138.03061	2.1
142.07762	1.7
145.10109	2.2
147.08066	2.0
147.11679	16.9
149.09610	4.6
151.07573	0.9
156.42419	0.9
157.10110	13.8
165.12743	3.8
166.02626	2.3
175.11169	13.3
181.04948	100.0
182.05316	2.8
184.03668	3.9
193.12233	50.5
199.06038	1.4
209.27493	1.0
211.11243	1.7
211.13274	35.5
229.54428	0.9
252.73138	1.0
285.08136	2.2
285.11215	56.5
285.16867	26.4
285.21722	1.3
285.29651	1.1
286.11502	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	285.112
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
57.03428	1.0
60.17927	0.9
60.41064	1.0
64.49484	1.1
67.05502	1.4
71.14830	2.4
79.05461	3.8
81.07037	1.7
83.01345	1.3
91.05482	3.9
95.04961	2.9
95.74264	1.1
97.02909	2.2
97.06519	1.5
103.05459	26.8
104.05799	1.1
107.04942	2.9
125.05996	1.4
131.04915	53.4
132.05235	1.2
145.56937	1.0
179.07037	1.7
181.04944	100.0
182.05298	1.3
199.05977	3.1
216.96584	1.2
285.11197	76.0
285.29700	2.7
286.11597	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99519	1.9
53.03936	5.6
55.01861	3.8
55.05288	2.5
55.05511	29.4
57.03432	56.4
57.07074	2.9
65.03934	2.4
67.05502	48.9
69.03416	6.3
69.07070	11.5
70.97732	2.0
70.98070	4.5
71.04974	12.5
79.05491	44.8
81.03412	93.5
81.07055	55.1
83.04979	24.9
83.08617	35.3
85.02899	94.7
85.06529	3.3
91.04934	2.9
91.05475	55.1
93.07036	29.2
95.04961	41.4
95.08595	24.0
97.02888	5.2
97.06506	8.2
97.10146	6.3
99.08112	2.5
103.05451	12.3
105.06342	2.7
105.07020	39.2
107.04947	7.7
107.08572	13.9
109.06514	10.3
109.10157	7.5
111.04434	7.3
111.08065	21.3
113.06001	8.8
115.05421	3.5
119.08559	29.2
121.06546	2.2
121.10155	18.4
123.08043	7.3
123.11694	6.2
123.26546	1.7
125.05856	2.0
125.09606	2.5
129.06999	17.6
131.04903	19.5
131.08551	14.0
133.06439	3.0
133.10104	15.9
137.09608	2.4
142.07751	5.8
145.10115	2.1
147.08034	3.6
147.11678	27.0
149.09625	9.8
153.01715	1.8
157.10130	25.8
165.12726	7.4
175.11186	28.3
181.03345	2.2
181.04944	67.8
193.12236	100.0
199.05966	2.7
211.13286	64.6
262.58151	2.0
285.07867	2.2
285.11243	39.9
285.16928	56.8
285.24072	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	285.1119
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
67.05489	1.3
69.07082	0.5
70.67176	0.5
70.67516	1.7
79.05495	3.4
81.07059	0.7
83.01312	2.3
89.27076	0.4
91.05473	3.5
91.14864	0.6
95.04946	0.8
97.02872	1.6
97.06512	1.6
101.14159	0.5
103.05463	23.0
105.03401	0.7
105.06997	0.7
107.04962	3.3
112.36070	0.4
125.05952	1.0
127.42044	0.5
127.42870	0.5
131.04916	36.4
132.05234	0.8
138.03090	1.6
140.06172	0.4
151.07535	0.9
153.05464	0.9
163.03966	0.6
166.02568	1.2
173.05919	1.1
179.07042	1.3
181.04944	100.0
182.05292	1.5
184.03644	1.6
187.12479	0.4
193.04933	0.5
194.05743	0.6
199.05952	1.2
207.06425	0.7
229.08595	0.6
242.55856	0.5
243.10107	0.7
267.10034	0.6
275.03339	0.5
285.11197	62.8
286.11530	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	5,7-Dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03930	0.2
55.01852	0.4
66.61680	0.2
67.05478	0.7
68.99788	0.4
69.71411	1.4
73.56982	0.2
75.59415	0.2
79.05489	0.5
83.01331	2.2
83.04967	0.5
91.05453	1.1
95.04939	0.5
98.01770	0.2
103.05453	3.7
105.19588	0.2
110.03638	0.5
111.04397	0.4
115.16718	0.2
125.02299	0.2
125.05981	0.8
127.90475	0.2
131.04906	6.1
131.47084	0.2
135.04419	0.3
138.03108	5.0
141.05429	0.3
146.59264	0.2
151.03894	0.4
153.01869	0.3
153.05432	0.4
166.02597	4.1
169.98653	0.2
181.04933	100.0
182.05278	1.5
184.02084	0.2
184.03639	5.2
229.08647	0.2
243.10158	0.6
271.60931	0.2
285.11188	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	285.1118
Annotation	5,7-Dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03936	0.7
67.05496	1.0
69.03420	0.9
70.85542	1.0
70.85857	0.6
77.03897	0.8
79.05476	3.2
81.07034	0.7
83.01352	2.8
90.57970	0.6
91.05462	2.2
95.04958	1.5
97.02867	2.8
97.06525	1.3
103.05458	30.6
105.03373	1.0
105.07024	1.0
107.04955	3.6
108.96629	0.6
110.96523	0.6
125.05978	1.3
131.04915	55.0
132.05252	1.2
145.06493	0.9
151.07542	0.7
153.05437	0.9
173.06004	1.4
179.03387	0.8
179.06992	2.6
181.04941	100.0
182.05272	2.5
194.05701	0.8
199.06053	1.0
207.06491	0.7
239.84665	0.7
243.10075	0.9
285.11188	97.4
286.11459	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
53.03949	0.6
55.01871	0.4
60.06871	0.2
67.05497	1.2
69.03432	0.5
70.37294	1.3
77.03938	0.6
78.60827	0.3
79.05489	4.4
83.01323	2.5
84.05094	0.3
85.02868	0.3
91.05464	3.5
95.04960	2.0
97.02892	2.3
97.06535	1.7
98.21410	0.3
102.04662	0.3
103.05459	33.0
103.83234	0.2
104.05790	0.6
104.65898	0.3
105.03377	0.9
105.04498	0.3
105.06995	0.4
107.04941	3.6
111.04539	0.3
123.08054	0.4
125.05983	1.6
131.04913	52.8
132.05270	0.6
135.04385	0.5
139.03925	0.4
145.06519	0.4
151.07513	1.0
153.05473	1.0
155.14258	0.3
163.03903	0.5
171.43311	0.3
173.05952	1.1
179.03372	0.8
179.07021	2.1
181.04939	100.0
182.05269	1.1
191.06992	0.6
194.05736	1.2
199.06042	1.0
201.09113	0.3
207.06548	0.5
239.10550	0.4
243.10197	0.6
258.21216	0.3
267.10184	0.7
285.11191	64.5
286.11520	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	285.1119
Annotation	5,7-Dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03940	0.3
55.01865	0.6
62.63160	0.2
65.03940	0.2
65.23722	0.2
67.05487	0.9
68.99769	0.2
70.35655	0.4
70.36053	0.5
79.05485	0.7
81.07040	0.3
83.01333	2.4
83.04962	0.6
86.72020	0.2
91.05489	1.2
95.04942	0.8
97.06513	0.2
98.21303	0.3
103.05461	4.1
107.04916	0.5
110.03613	0.3
111.04422	0.3
125.06001	0.7
131.04916	7.4
138.03107	5.1
141.05435	0.3
151.03877	0.4
153.05463	0.4
166.02612	4.3
179.03418	0.3
181.04942	100.0
182.05276	1.7
184.03645	6.3
213.92247	0.2
221.26315	0.2
243.10176	0.9
279.13855	0.2
285.11194	25.1
286.11462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
53.03944	0.4
55.05503	1.1
57.03434	2.2
59.02612	0.3
63.00036	0.4
65.03936	0.7
67.05496	5.2
68.99792	0.9
69.03432	0.8
69.07058	1.5
70.90928	1.1
71.04983	0.7
79.05486	4.4
79.48071	0.4
81.03409	2.0
81.07050	2.9
83.01335	5.0
83.04982	0.6
83.08608	0.9
85.02901	1.6
91.05473	4.6
93.07051	1.1
95.04961	3.8
95.08595	0.8
97.02867	1.5
97.06516	1.3
98.98485	0.5
103.05461	22.3
104.05753	0.5
105.03387	0.8
105.04429	0.4
105.07011	2.6
107.04954	3.0
107.08584	0.9
109.06541	0.6
111.04424	0.5
111.08044	0.7
119.08569	1.2
121.10123	0.8
123.08076	0.6
123.11713	0.5
125.05975	1.3
129.06985	0.6
131.04915	45.1
131.08601	0.7
132.05240	0.5
133.10129	0.9
135.04362	0.9
139.03978	0.4
143.03430	0.5
145.10068	0.5
147.11664	1.3
151.07555	0.8
153.05466	1.5
153.06741	0.3
157.04897	0.5
157.10098	0.7
161.05948	0.5
163.03848	0.9
165.12799	0.5
173.05962	1.0
175.11179	0.8
179.03366	0.4
179.07011	1.5
181.04942	100.0
182.05312	2.1
191.07033	0.5
193.06500	0.5
193.12135	1.9
194.05788	0.4
199.02338	0.4
199.06003	8.2
207.06596	1.1
210.06770	0.7
211.13266	1.6
215.10814	0.4
222.96753	0.4
225.09044	1.1
229.08440	0.5
243.10010	0.6
253.08603	1.4
267.10162	0.5
285.11182	96.9
285.16727	2.4
286.11459	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	285.1118
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
51.95619	0.3
53.03936	0.7
55.01860	0.6
55.05510	1.0
56.15396	0.3
57.03429	1.8
63.00032	0.4
67.05501	3.7
68.99788	1.0
69.03412	0.6
69.07054	1.0
70.45040	1.2
71.04985	0.4
77.03934	0.3
79.05489	5.7
81.03419	2.6
81.07047	3.6
83.01335	7.5
83.04963	1.3
83.08614	0.8
85.02903	2.2
85.06527	0.3
90.16653	0.3
91.05480	6.0
93.07017	1.2
95.04971	3.5
95.08601	1.5
97.02882	2.2
97.06534	2.0
98.98470	0.5
103.05463	29.6
104.05815	0.5
105.03374	0.8
105.07029	2.8
107.04945	3.6
107.08575	0.7
109.06499	0.8
109.10114	0.6
111.04451	0.7
111.08102	0.4
113.05959	0.7
117.06993	0.6
119.08572	1.7
121.10105	0.8
123.08054	0.5
123.11760	0.5
125.05991	1.8
129.06982	0.4
131.04919	50.3
132.05258	0.8
133.10072	0.7
135.04431	1.3
137.02336	0.4
139.03920	0.4
141.07054	0.5
145.06473	2.0
145.10158	0.5
147.11691	2.1
151.07532	1.1
153.01825	2.2
153.05424	1.7
155.08542	0.5
157.10106	0.6
161.06180	0.3
163.03911	0.8
165.06955	0.3
165.12755	0.9
171.02803	0.4
173.05992	2.2
175.11163	0.8
178.07776	0.3
179.03398	0.9
179.07031	2.1
181.04948	100.0
182.05255	1.8
186.00896	0.3
187.07420	0.3
191.06989	0.5
193.12225	2.1
194.05721	1.0
197.09560	0.4
199.02356	4.4
199.06088	2.5
199.95422	0.3
207.06523	0.4
211.07596	0.4
211.13274	1.3
215.10658	0.3
225.09109	0.7
229.08560	0.9
238.05804	0.3
239.10710	0.6
243.10153	1.0
257.11685	0.7
267.10120	1.1
285.11197	71.5
285.16745	2.1
285.29880	0.4
286.11649	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	285.1118
Annotation	Comptonin
Peak:m/z	Relative Intensity
50.74997	0.5
55.05491	0.9
56.07289	0.6
56.32178	0.5
57.03431	1.2
57.07037	0.7
59.72059	0.5
65.03926	0.6
65.13823	0.5
67.05497	6.9
68.99789	3.2
71.04984	3.7
79.05492	3.1
81.03408	0.7
81.07019	1.4
83.01337	2.8
83.04974	7.9
85.02890	1.2
85.06549	3.7
91.05440	1.6
93.03385	0.8
95.04961	9.0
95.08581	0.9
97.02857	0.6
103.05472	0.7
105.06960	1.2
107.04940	3.3
111.04460	4.6
113.05992	19.3
121.02843	1.0
121.10165	0.6
131.04909	2.0
135.04454	4.3
138.03110	1.9
139.03893	3.5
147.11674	0.7
153.01837	2.3
153.05424	1.0
157.04942	1.4
157.69916	0.6
163.03882	11.1
165.06987	0.8
166.02576	1.0
181.04939	100.0
182.05283	1.7
182.07135	0.6
193.12187	0.7
199.02318	3.2
199.06001	31.2
211.13194	0.8
214.53862	0.6
243.10101	1.1
253.08540	1.0
285.11191	49.8
286.11499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01872	1.0
55.05505	4.0
57.03434	8.2
57.07090	0.5
58.08783	0.4
58.68882	0.4
67.05497	7.2
68.99786	12.6
69.03425	1.8
69.07056	3.1
70.52738	1.7
71.04993	1.4
79.01826	0.4
79.05487	6.0
79.67767	0.4
81.03410	11.7
81.07049	12.1
83.01333	77.4
83.04981	3.9
83.08609	5.2
85.02895	9.8
85.06541	1.3
91.05479	7.4
91.11926	0.4
92.99754	3.9
93.07033	3.8
95.04964	6.9
95.08607	3.8
97.02888	0.8
97.06531	1.9
97.10151	0.8
98.98466	0.5
98.99653	0.4
99.08080	0.5
103.05452	1.8
105.03383	0.8
105.07021	14.0
107.01346	1.0
107.04957	1.3
107.08590	2.7
109.06521	2.1
109.10162	0.9
111.04417	1.2
111.08068	1.8
113.05980	2.1
113.67162	0.5
119.08589	4.6
119.21411	0.4
121.10136	2.8
123.08057	0.6
123.11708	2.4
125.02340	6.6
125.05953	0.6
129.06972	2.2
131.04912	2.7
131.08542	2.1
133.10106	2.4
135.04393	0.5
137.02361	1.4
138.03137	0.5
139.39114	0.5
145.10068	0.6
147.08095	0.6
147.11678	7.8
149.09581	1.2
153.01814	48.7
155.03436	0.4
157.10146	3.3
163.03946	1.7
165.12701	3.6
166.02777	0.5
171.02844	6.4
174.99117	0.6
175.11169	2.9
181.01326	11.1
181.04935	19.6
181.06212	0.7
193.12219	10.7
199.02361	100.0
199.06021	5.6
200.02730	1.8
210.06795	0.5
211.13261	7.9
228.03488	0.5
229.08655	0.8
229.14299	0.5
239.06981	1.3
253.08588	0.6
257.08047	1.5
267.06464	0.6
267.15851	0.7
270.05060	0.7
284.29660	0.6
285.07538	12.0
285.11157	9.6
285.14426	1.0
285.16974	7.8
285.29526	0.8
286.07974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
51.43446	0.2
58.90485	0.2
65.02878	0.2
67.05480	0.4
67.68218	0.2
69.03426	0.4
69.54390	1.8
76.84126	0.2
79.01852	2.9
81.03396	0.4
81.07053	0.5
81.40031	0.2
83.84669	0.2
91.05479	0.4
95.04953	0.3
95.08590	0.3
97.02881	0.5
98.21517	0.3
101.64648	0.2
105.07053	0.3
105.24164	0.2
107.01273	0.6
107.68496	0.2
119.08610	0.2
125.02351	2.5
143.02267	0.3
143.03397	5.8
145.13071	0.2
147.11673	0.3
153.01820	100.0
154.02185	1.6
181.04947	0.7
193.12221	0.3
195.02815	0.3
222.04321	0.2
253.08540	0.2
285.05930	1.5
285.11166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01861	1.2
55.05495	1.0
62.24937	0.5
64.46935	0.6
67.05486	0.9
68.99787	0.6
69.03420	13.4
71.70725	0.6
79.01846	4.4
79.05460	0.9
81.03403	3.6
81.07042	1.4
85.02862	1.3
91.05457	1.4
93.07021	0.8
95.04944	1.9
97.02883	21.7
98.98440	0.8
103.05428	1.6
105.07030	1.2
107.01289	1.0
107.04935	4.5
109.10161	0.8
115.03919	7.2
119.04949	1.4
125.02354	2.8
128.79181	0.6
131.04111	0.6
131.04904	3.8
134.41908	0.6
137.05960	1.0
143.03400	8.5
146.03560	0.7
147.04424	2.7
151.03827	1.2
153.01813	100.0
153.02762	4.0
154.02193	1.1
155.04907	0.6
159.04401	3.9
161.05974	0.9
163.03894	2.1
165.05579	1.0
165.07008	2.1
175.03906	2.4
177.05458	2.1
179.03366	5.7
181.04932	6.1
182.07286	0.7
187.03831	0.6
191.03444	1.0
193.03491	0.7
193.04959	3.0
193.06316	1.0
193.12292	1.4
203.03433	1.0
205.04947	12.4
207.02858	13.6
210.06850	1.4
211.13254	0.7
221.04277	4.7
221.06276	0.9
223.02412	0.9
225.09160	3.2
229.04944	1.5
231.02885	4.1
234.02408	0.7
237.03960	1.0
239.03445	0.8
249.03915	4.7
253.08604	4.8
257.04440	1.0
267.02454	1.0
267.04999	9.8
270.08609	0.7
285.03860	5.9
285.06598	0.8
285.11127	6.7
303.05103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0989
Annotation	guanosine
Peak:m/z	Relative Intensity
56.96539	0.6
57.03420	0.5
61.02912	0.4
69.03408	0.4
71.31001	0.4
72.93788	0.3
85.02885	0.9
90.94888	0.2
97.02843	0.3
109.05137	0.3
110.03525	2.0
123.04530	0.2
128.04553	1.1
131.99686	0.3
135.03009	3.6
136.06178	0.6
152.05661	100.0
153.01920	0.3
153.04073	7.0
153.06024	0.7
184.71646	0.2
198.36256	0.2
261.03131	0.2
277.01968	0.3
283.98450	0.3
284.29477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
55.05497	2.5
56.96560	15.1
57.03435	2.0
61.02929	2.5
69.03417	3.6
69.07043	2.4
70.06571	5.3
71.01328	2.1
71.04968	2.4
71.71438	2.2
72.93784	3.4
73.02895	5.7
84.04503	2.0
85.02906	11.0
95.06082	22.7
97.02879	6.8
98.06024	2.2
98.97563	10.2
109.05106	4.5
110.03509	3.8
116.98581	6.5
119.03566	2.2
126.07732	5.6
127.03931	3.5
127.06147	8.2
131.04922	2.1
134.99611	5.8
135.02980	2.5
136.06171	90.5
137.04550	6.3
139.03856	7.3
147.04492	2.4
151.12268	5.0
152.05658	100.0
152.52412	2.3
153.01845	6.4
154.07243	10.4
158.99770	2.8
159.14139	2.2
164.05676	2.5
167.03326	2.2
169.29175	2.4
174.04382	3.6
177.00656	5.1
178.07233	2.5
181.04889	3.3
186.04308	3.8
202.53204	2.9
204.05438	9.7
225.15926	17.6
237.02695	2.2
243.91132	2.1
255.03986	2.3
257.55182	2.2
269.97800	2.4
271.71466	2.1
283.98410	6.2
284.09811	21.6
284.23325	20.8
284.29407	15.7
302.05704	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12514	2.6
52.24733	2.3
53.03952	2.7
55.01859	7.2
55.05504	16.2
56.66856	2.1
57.03436	25.6
57.07076	3.9
60.69524	2.8
63.55548	2.1
65.03947	3.0
67.05498	34.2
69.03414	3.6
69.07057	10.2
69.45409	13.1
69.45840	10.1
71.04988	4.5
77.33344	2.3
79.05481	39.5
81.02920	2.2
81.03405	4.7
81.07056	30.1
83.04961	8.6
83.08625	12.9
85.06538	2.2
89.06034	3.2
91.05455	19.0
93.07038	59.4
95.04966	15.5
95.08598	58.7
97.02864	8.3
97.06519	10.6
97.10148	3.6
99.04425	6.1
100.61967	2.5
105.07018	16.8
106.98860	2.4
107.04942	13.8
107.07922	4.6
107.08584	39.8
109.06508	3.9
109.10134	5.1
111.04446	8.0
111.08051	2.7
117.07006	17.1
119.08566	16.3
121.06497	8.1
121.10149	19.7
123.08056	3.3
123.11620	2.9
125.05960	5.3
129.06964	3.5
131.08565	5.1
133.08571	2.6
133.10135	8.0
135.08026	4.9
135.11674	59.6
139.07506	2.6
143.08597	2.3
145.06485	3.2
145.10107	46.2
149.09657	2.4
153.12798	3.3
163.11174	89.5
164.11613	2.8
169.42834	2.4
173.09579	6.3
179.03375	9.0
181.12250	18.7
191.10626	6.5
197.04408	2.8
201.68651	2.4
209.11708	10.1
227.10495	4.9
227.12762	100.0
244.91580	2.5
283.10049	13.7
283.12396	3.7
283.15448	37.2
283.20453	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	283.2054
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03941	3.2
55.01867	2.4
55.05513	11.9
57.03423	2.2
57.07066	4.4
59.04993	2.2
66.60791	1.6
67.05502	20.0
68.35513	1.8
69.03416	5.2
69.07060	11.4
71.04979	5.1
78.72881	1.9
79.05494	18.2
79.44774	1.6
79.51470	1.6
81.03419	3.2
81.06609	2.6
81.07053	29.2
83.04980	3.1
83.08587	7.1
85.06530	2.3
91.05473	19.9
93.07046	27.3
95.04972	13.1
95.08607	23.7
97.06509	6.2
99.08128	2.9
103.05427	3.1
105.06348	2.8
105.07025	39.2
107.08591	27.6
109.06511	8.5
109.10130	13.2
111.08066	2.6
115.05441	1.9
117.07019	7.3
119.08575	40.5
121.06504	8.0
121.10136	60.3
123.08075	4.4
123.11687	7.5
128.06216	4.6
129.06987	8.1
130.07761	3.9
131.08551	24.7
133.10115	24.6
135.08049	9.6
135.11676	8.0
137.09605	3.0
141.07016	2.8
142.07770	5.5
143.08559	19.7
144.09326	3.4
145.10103	31.1
146.07275	2.5
147.11652	8.0
149.09596	3.3
149.13257	2.9
155.08504	4.7
156.09328	5.6
157.06403	1.8
157.10107	20.8
158.10884	6.6
159.08020	4.2
159.11673	12.7
161.09615	23.2
161.13249	5.1
163.11113	9.2
165.06982	2.9
167.08589	4.7
169.10091	6.6
170.10844	2.1
170.35677	2.0
171.08038	2.6
171.11691	14.1
173.09554	4.2
173.13264	52.9
175.11176	5.1
175.14792	5.9
179.03311	3.1
179.08545	5.8
180.09282	3.4
181.10133	6.6
183.11702	7.4
184.70830	2.1
185.09639	3.5
185.13216	15.9
187.11139	3.2
187.14812	7.9
189.12711	3.3
193.10178	4.7
194.10922	6.9
195.11670	9.1
197.13298	6.7
199.11195	4.0
199.14746	9.2
201.12718	4.1
201.16406	2.6
203.14336	2.1
207.11702	2.1
208.12492	3.8
209.13286	19.7
210.13985	4.0
211.14760	2.4
213.12718	7.2
213.16360	5.5
215.14308	2.1
223.14830	10.9
225.16412	4.9
227.10657	2.1
227.14417	10.9
229.34937	2.5
235.14861	3.2
237.16403	3.1
239.17871	2.8
241.15807	2.7
255.21016	6.7
265.19485	26.7
283.09604	7.2
283.15643	3.4
283.20557	100.0
284.20889	2.6
293.08554	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01858	5.0
55.05507	13.2
57.03436	12.8
57.07060	2.0
65.51024	0.9
67.05501	20.4
69.03423	1.7
69.07060	8.5
70.31434	2.2
70.31837	1.4
70.69540	0.9
71.04984	3.8
73.02883	1.4
75.62280	0.9
79.05488	28.7
81.03408	3.7
81.07053	20.8
83.01296	1.3
83.04963	6.6
83.08612	9.5
85.06522	1.2
91.05472	10.5
93.07041	42.9
95.04977	10.9
95.08604	40.1
95.09215	2.1
97.02876	3.2
97.06535	4.8
99.04441	4.1
103.05494	1.8
105.07031	7.7
107.04948	10.1
107.08588	28.7
109.06519	1.7
109.10138	3.0
110.49820	0.9
111.04453	5.0
111.08089	2.0
115.05406	1.1
117.07016	12.9
119.08578	11.0
121.06523	7.5
121.10136	13.5
125.05986	4.6
129.06979	1.3
130.07770	2.0
131.08536	1.8
133.10088	3.5
135.08058	2.2
135.11688	48.1
139.07533	1.6
143.08562	1.1
145.10106	30.1
153.12709	3.1
155.08646	1.4
163.11176	70.0
164.11586	1.8
173.09654	1.8
179.03395	1.4
181.12222	17.7
191.10648	2.0
197.04466	2.0
209.11691	3.4
227.12772	100.0
228.13147	2.5
283.09610	2.7
283.12769	1.7
283.15460	23.5
283.20297	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64120	1.2
53.03927	2.9
55.01864	5.7
55.05503	12.2
57.03425	14.2
57.07068	2.4
57.30784	1.1
67.05497	23.7
69.03423	2.8
69.07068	10.1
71.04974	4.0
73.02928	1.6
74.84092	1.2
79.05486	35.8
81.03406	3.8
81.07041	30.8
83.01340	2.0
83.04995	7.0
83.05428	1.4
83.08608	13.0
91.05468	16.8
93.07030	43.9
93.07606	2.5
95.04963	11.1
95.08596	47.1
97.02880	4.4
97.06516	5.9
97.15015	1.1
99.04441	4.1
99.08110	1.2
99.22414	1.1
103.05444	2.3
105.07024	10.9
107.04941	12.8
107.08582	30.9
107.09262	2.1
109.06509	3.7
109.10140	3.4
111.04441	4.1
111.08091	2.4
113.05966	1.5
115.05454	1.2
117.07001	13.5
119.08586	12.9
121.06488	8.1
121.10126	16.1
125.05975	3.3
127.97488	1.1
130.07784	3.4
130.25049	1.2
131.08548	2.6
133.10115	3.5
135.08022	2.0
135.11681	57.0
136.12024	1.4
139.07474	3.1
143.08501	1.6
145.06487	1.7
145.10103	42.3
151.03891	1.4
153.12660	1.7
155.08626	1.8
163.11166	81.0
173.09621	2.8
179.03406	1.7
181.12224	21.1
191.10590	1.5
197.04472	3.7
209.11777	3.4
223.07335	1.5
227.12756	100.0
228.13136	1.8
245.62421	1.3
265.19736	1.4
283.09628	4.0
283.15460	23.2
283.20306	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
55.01865	35.5
55.05505	71.2
57.03430	62.9
57.07069	5.8
59.04981	9.4
65.05666	3.2
67.05494	44.2
69.07062	21.0
69.51376	30.9
71.01325	5.3
71.04978	14.8
79.05042	4.7
79.05487	69.8
81.03416	28.9
81.07053	60.4
83.01336	36.3
83.04971	39.3
83.08612	36.7
85.02885	8.7
85.06559	3.2
89.06017	18.2
89.94551	3.5
91.05473	48.8
93.07040	94.4
95.04949	26.7
95.08594	34.2
97.02894	7.3
97.06532	17.7
97.10169	4.1
99.04436	7.5
103.05489	4.1
105.07016	31.7
107.04942	26.6
107.08590	45.6
109.06529	20.3
109.10131	7.7
111.04432	12.6
111.08075	3.5
117.07036	24.9
119.08577	28.3
121.06486	12.7
121.10112	28.3
123.04334	4.4
123.08062	23.9
125.05962	5.0
125.09600	5.4
129.07001	5.9
130.07768	6.4
131.08551	13.4
133.08569	7.8
133.10063	5.8
135.08034	4.9
135.11676	58.9
145.06470	3.6
145.10118	61.3
147.07994	4.8
151.03928	3.7
153.07126	3.1
153.12711	14.7
155.08569	7.9
163.09804	5.3
163.11176	100.0
173.09622	10.3
179.03371	24.4
181.12225	19.8
184.29399	3.1
191.10641	8.6
197.04433	22.8
209.11714	18.2
227.12721	28.8
283.09659	12.5
283.15408	89.0
283.20291	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	283.1326
Annotation	Stemofuran K
Peak:m/z	Relative Intensity
52.23407	0.6
53.03930	0.9
55.01851	2.1
55.05495	2.8
57.03413	2.7
65.03909	0.7
67.05498	5.0
69.03396	1.4
69.07037	3.0
70.32526	2.2
71.04967	0.9
79.05480	6.3
81.03413	1.4
81.07047	8.4
81.74176	0.7
83.00951	0.6
83.01341	6.5
83.04973	14.4
83.08611	1.3
83.71235	0.6
85.02879	1.7
91.05471	25.5
93.07050	4.6
95.04946	2.1
95.08602	3.7
97.02840	0.9
97.06499	1.0
99.04447	0.8
103.05456	0.8
104.06233	0.8
105.03352	1.5
105.07026	3.2
107.04935	1.8
107.08601	3.7
109.06490	2.2
109.10123	1.4
111.04436	5.4
111.08083	1.3
115.05443	32.1
116.05678	0.7
117.06335	0.8
117.07025	10.8
119.08556	1.4
121.06478	2.8
121.10110	2.6
122.07257	0.7
123.08054	3.6
124.05209	0.7
125.05909	0.8
128.06197	2.9
129.06995	5.8
131.08540	1.8
133.06471	0.7
135.08040	1.3
135.11703	3.5
137.06000	1.6
139.03841	2.3
139.07516	6.8
141.06938	3.8
143.08534	4.4
145.06511	1.3
145.10112	4.3
147.08093	0.9
148.18382	0.7
150.17288	0.7
151.07523	3.5
153.01776	1.6
153.05446	1.5
153.06960	1.8
153.12723	1.5
154.07764	0.7
155.08540	3.0
157.06482	6.2
157.10141	0.9
163.11194	4.7
165.06973	2.4
166.07771	3.8
167.07051	37.9
167.08517	4.4
168.07823	6.7
169.10150	1.4
171.08029	1.9
173.09679	0.7
178.07745	1.1
179.08548	4.9
179.14218	1.5
180.09251	1.3
181.10117	5.8
181.12199	2.5
183.08063	0.8
185.09546	1.2
187.29536	0.7
191.08649	0.7
191.10704	1.0
194.10869	5.3
195.08069	1.3
195.11627	2.4
197.09601	1.1
199.11148	5.3
203.08531	1.3
204.09337	2.2
205.10175	1.0
206.10820	0.9
207.08047	1.3
208.08737	1.4
209.09512	1.9
209.11629	1.6
209.13332	7.0
212.11914	1.8
213.09093	1.4
213.12782	1.7
219.11719	1.8
221.09425	1.0
222.10344	8.2
223.11044	0.9
225.09050	2.3
227.10796	6.3
227.12752	2.3
232.08653	1.0
237.12718	14.3
240.11432	14.3
241.12003	1.1
247.11125	0.9
250.09834	2.2
255.06525	0.8
255.13785	21.0
265.12241	8.1
266.12576	0.8
267.10043	4.3
268.10834	2.8
269.60007	0.7
283.06223	3.0
283.13220	100.0
284.13528	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1324
Annotation	Stemofuran K
Peak:m/z	Relative Intensity
53.81731	0.7
63.82792	0.7
65.58822	0.7
67.05505	1.4
72.91652	0.7
79.05488	1.4
81.07030	2.4
83.01327	3.8
83.04966	9.3
83.62727	0.7
89.32419	0.6
91.04936	1.0
91.05471	17.8
92.72456	0.6
93.07028	1.3
95.04944	1.2
95.44172	0.7
97.82860	0.8
98.20675	1.7
101.02337	0.8
103.05488	1.0
104.06229	1.1
105.07027	0.7
109.06493	1.3
111.04433	2.1
115.05445	33.3
117.07018	7.5
121.06475	1.2
123.08056	2.4
125.05979	1.0
128.06177	2.8
129.06970	4.9
137.06017	1.2
139.03877	2.4
139.07532	7.6
141.06961	3.0
143.08549	3.8
151.07538	2.6
153.05533	0.8
153.06963	1.5
155.08543	3.1
157.06462	7.8
158.79567	0.7
165.06967	1.9
166.07747	2.7
167.07054	35.6
167.08519	6.6
168.07835	6.2
169.10106	0.8
170.80942	0.8
171.07999	2.1
179.08548	5.6
180.09242	1.1
181.10136	5.1
185.09589	1.0
191.01009	0.7
193.10138	0.9
194.10886	4.4
195.11647	3.4
197.09532	1.3
199.11147	4.4
204.09390	1.9
205.10188	0.8
206.10773	1.3
207.08060	1.8
208.08704	0.9
209.09575	1.3
209.13292	7.3
212.11938	1.8
213.09189	1.0
213.12665	1.7
219.11641	1.8
222.10394	8.2
223.11082	1.6
225.09103	2.4
226.09709	0.8
227.10678	6.0
227.14296	1.5
229.43863	0.9
230.10922	0.7
235.07669	0.9
237.12744	15.4
239.10538	0.9
240.11462	11.6
241.12120	1.1
247.11240	0.9
250.09862	2.5
253.08479	0.8
255.11241	1.4
255.13782	18.7
265.12262	7.8
267.10141	4.0
268.10864	2.1
283.13260	100.0
284.13556	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	282.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.8
57.03451	0.3
59.04991	1.4
59.48193	0.2
61.02925	1.5
67.05539	0.3
70.06581	0.3
71.04991	3.4
71.70224	0.3
72.55171	0.3
79.01867	0.3
79.05506	1.3
81.07056	5.4
83.08636	0.3
84.04504	0.6
85.02917	0.6
87.08125	0.6
88.04002	0.5
89.66375	0.2
93.07059	0.3
99.08118	0.5
103.66138	0.3
107.08607	0.4
108.08113	0.8
109.05138	0.5
110.03518	3.0
113.09666	0.9
122.09663	0.4
128.04565	2.8
134.04587	0.6
134.09674	0.3
135.03014	3.6
136.11195	0.3
137.06047	0.3
139.03813	0.5
143.03412	0.5
150.12773	0.9
152.05672	100.0
152.14378	0.4
153.01878	5.7
153.04068	14.0
153.06000	0.6
154.02292	0.6
166.07220	0.3
174.12814	0.5
181.03441	0.3
181.04991	0.4
197.02890	0.3
210.61021	0.3
220.13318	0.7
227.03932	0.3
227.08510	0.3
232.11972	0.4
238.17935	0.9
250.13005	2.1
252.09508	0.3
268.97607	0.3
280.84485	0.3
282.10330	0.8
282.15509	20.7
282.20593	1.9
283.15753	0.4
291.40659	0.3
293.04822	0.3
294.02576	0.3
300.05777	0.3
303.03641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	3.3
67.05489	2.9
69.07067	3.5
69.53247	14.0
71.08617	1.9
81.07020	2.7
83.05011	2.0
83.08598	3.4
93.06994	1.7
94.84152	1.8
108.08082	2.0
121.02818	2.9
151.16364	1.5
152.03178	68.7
153.01636	2.2
154.08371	55.5
170.04268	13.7
193.05876	1.9
220.09361	2.0
237.12352	2.1
238.10539	7.7
247.10527	5.1
265.11615	29.3
266.09979	5.7
268.97614	2.8
270.39020	1.6
283.12625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57824	2.8
51.28037	2.9
55.01858	7.8
55.93507	5.7
56.96564	41.3
57.03421	9.8
59.93248	3.3
61.02911	13.7
69.03429	28.7
69.07051	3.4
71.04979	7.6
71.62405	4.3
71.62748	4.7
72.93752	5.4
73.02886	8.8
81.03405	6.0
83.23139	3.2
84.08083	3.5
84.96002	3.7
85.02897	100.0
85.06540	9.9
87.04472	3.7
90.94815	6.6
91.03928	12.0
97.02887	32.0
98.06023	4.1
98.97569	34.9
99.04453	7.9
101.02357	3.5
107.04953	4.4
109.02871	10.8
109.10157	3.1
110.97572	5.6
111.04370	3.5
112.07589	5.1
116.98610	24.0
127.03904	27.5
128.98608	10.6
134.99623	13.9
136.06186	38.1
137.05937	11.5
139.03879	12.5
143.00145	3.6
145.04935	44.1
146.99657	11.0
147.04388	7.8
150.00645	4.4
150.07747	4.4
152.05696	4.1
153.01808	17.5
158.99620	8.8
161.01125	4.2
163.06000	10.9
167.03400	5.4
170.99652	5.3
173.02505	3.6
174.04343	7.2
177.00690	13.4
186.04352	6.0
189.00710	13.6
202.03108	8.0
204.05460	7.3
213.00760	3.7
215.02345	4.3
219.01707	4.0
228.99805	3.4
231.01732	4.6
237.02856	6.4
240.94214	6.0
244.93687	5.2
252.12628	7.3
258.02835	3.9
258.95355	13.2
259.01236	9.1
259.96143	11.1
263.95831	12.1
264.12534	4.6
264.96530	4.5
267.99799	4.6
268.97693	5.3
270.13617	5.0
281.96872	3.4
282.08389	12.2
282.13602	8.7
282.22150	10.9
282.98096	5.5
284.03168	5.7
300.06195	13.2
302.49518	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02367	1.5
53.03943	10.3
53.09035	1.4
53.98586	1.3
55.01854	6.6
55.05507	29.3
57.03179	1.7
57.03435	27.6
57.07061	1.7
65.03925	5.5
67.05501	81.6
67.25014	1.4
69.03408	3.5
69.06762	1.4
69.07066	17.6
70.37732	2.3
70.38123	4.8
73.06538	2.1
79.05487	100.0
80.34009	1.3
81.03418	17.1
81.06571	1.5
81.07053	60.8
83.04977	37.0
83.08625	10.5
85.06503	4.7
91.05475	70.0
93.07041	71.9
95.04971	25.7
95.08018	2.7
95.08598	39.8
97.02848	2.4
97.06521	7.9
97.10149	5.9
99.08070	1.5
103.05450	2.0
105.04506	2.5
105.06358	2.9
105.07025	45.3
107.04943	9.5
107.08578	25.7
109.06519	8.7
109.10197	7.1
111.04358	1.6
111.08086	2.1
115.05437	1.7
117.07000	9.9
119.08571	30.5
121.06482	4.7
121.10114	5.1
122.50513	1.5
123.08067	8.9
127.07494	2.6
128.06206	4.4
129.06998	18.4
130.07751	2.0
131.08553	2.8
133.10141	16.9
135.08035	3.5
135.11693	2.5
143.08548	10.0
145.10115	10.8
147.07999	3.5
147.11684	38.2
153.01814	10.2
159.11681	2.1
161.09593	5.7
161.13228	16.4
169.10143	1.6
171.11690	30.3
189.12752	12.0
193.58592	1.6
207.13739	10.2
211.07660	1.6
281.17450	35.1
299.06100	3.7
301.22614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.1
53.91291	1.1
55.01865	5.9
55.03403	1.2
55.05507	35.7
57.03432	26.2
57.07071	2.1
58.54942	1.2
62.49707	1.2
65.03928	5.0
67.05500	95.4
69.03414	4.0
69.07060	18.9
71.04975	5.7
71.72808	2.2
73.06547	3.5
78.47913	1.5
79.01849	2.2
79.05490	100.0
81.03411	16.3
81.07053	67.9
81.07549	1.7
83.04550	1.3
83.04973	36.3
83.08611	10.0
85.02902	1.8
85.06533	2.2
87.04401	1.5
91.05470	80.4
93.07039	73.5
95.04964	32.8
95.08011	2.6
95.08602	47.2
97.02885	5.4
97.06516	7.5
97.10161	6.4
98.97638	1.3
99.27267	1.2
103.05415	1.8
105.04527	1.9
105.07025	54.5
107.04963	10.7
107.08590	22.3
109.06510	9.4
109.10175	8.2
111.04453	2.8
111.08061	2.4
115.05429	2.6
117.07011	11.4
119.08566	32.1
121.06494	3.6
121.10145	9.1
123.08069	8.8
125.02279	1.7
125.09648	1.6
127.07574	2.6
128.06216	3.1
129.06987	19.8
131.08546	4.1
133.06516	2.1
133.10123	16.7
134.99423	1.3
135.08026	2.0
135.11708	4.1
137.09608	1.7
143.03378	4.1
143.08585	9.9
145.10124	10.4
147.08038	4.1
147.11674	45.9
151.02805	1.7
153.01819	41.3
153.03050	2.3
154.02133	1.4
157.10135	2.7
159.11699	1.3
161.09619	6.6
161.13249	16.4
163.11157	1.5
171.11687	27.9
171.13065	2.0
189.12753	10.8
207.13756	10.6
209.74661	1.4
242.42638	1.4
245.15376	1.3
260.64313	1.6
281.07794	1.3
281.12036	2.4
281.14883	1.9
281.17398	33.0
283.03128	1.5
299.06097	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	281.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.3
50.86076	0.2
51.02372	0.6
55.01859	0.3
55.05495	0.6
65.03928	0.4
67.05482	0.7
69.03416	0.9
70.16246	0.3
70.16659	0.6
74.31423	0.2
79.01847	7.1
83.04969	3.0
85.02892	0.5
91.05494	0.3
95.08634	0.2
97.02898	1.5
98.21461	0.2
105.03394	0.2
105.07026	0.2
107.01308	1.5
107.04891	0.2
111.04439	4.6
115.05457	0.3
117.07011	0.2
123.00813	0.3
123.04362	0.2
125.02341	5.1
129.05464	0.6
139.03903	0.3
143.03383	10.2
145.06483	0.5
147.04422	0.3
149.02383	0.3
151.03877	0.3
153.01816	100.0
153.02866	5.0
154.02153	0.9
161.05994	0.4
163.03906	0.7
167.03360	0.2
173.05983	0.5
179.03366	1.4
181.01326	0.9
189.05444	0.3
191.03358	0.9
193.05000	0.2
195.02841	0.6
201.05510	1.0
207.02908	2.2
209.04501	0.5
217.05014	0.4
219.02937	0.4
219.06558	0.8
221.04446	0.7
223.02374	2.2
235.05856	0.3
237.03981	1.0
245.04468	0.2
279.81534	0.2
281.06540	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	279.0496
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
53.03923	1.0
55.01859	3.8
55.05503	0.7
57.07056	2.1
68.99828	1.0
69.03416	1.6
71.15314	1.7
79.05459	0.9
83.01306	1.0
91.05444	3.3
93.07027	1.3
96.17876	0.8
96.76025	0.8
97.02886	4.4
103.05457	8.9
105.07016	2.5
107.04966	0.8
109.02860	2.2
109.40765	0.8
115.05436	3.9
119.04926	3.0
121.02890	1.9
121.06499	2.2
123.04387	0.9
125.02319	2.3
131.04916	42.9
133.02840	3.6
133.06450	2.8
135.04385	1.7
137.02284	3.0
138.37733	1.0
139.03864	2.2
143.04848	1.6
145.02849	1.0
147.04393	5.9
149.02330	15.6
149.05975	2.4
151.03867	3.1
153.01814	13.0
159.04404	73.3
159.32292	0.8
160.04761	1.6
161.02399	1.5
161.05966	4.3
163.03894	13.7
165.01799	2.6
165.05466	2.6
171.04384	3.0
175.03893	5.7
177.05444	26.7
179.03381	11.5
179.06982	2.2
181.01355	9.7
183.02878	3.6
187.02208	0.9
187.03874	18.8
189.01738	1.1
189.05479	2.9
191.03395	7.0
193.04973	2.4
195.02893	1.0
197.00800	8.1
199.03880	1.5
203.03369	2.9
205.04945	100.0
206.05330	1.9
207.02872	31.2
215.03383	14.0
216.04211	0.9
217.01225	2.5
217.04941	4.3
219.02879	1.3
221.04381	5.8
223.02376	2.7
223.05981	1.2
231.02882	1.2
233.04428	74.5
234.04744	1.5
235.02377	18.9
243.02808	2.6
249.03918	1.1
251.05513	1.8
261.03922	18.8
279.04996	25.8
279.08191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58203	3.2
54.71315	4.0
56.96554	10.4
57.03432	4.0
57.07089	4.4
69.03425	5.4
70.22734	13.1
70.23156	9.1
81.03448	4.4
81.34093	3.6
84.08128	5.1
84.90672	4.7
85.02898	18.5
97.02864	9.5
98.97580	100.0
110.97568	20.8
116.98607	60.8
127.03888	5.1
128.98607	29.2
134.99678	26.4
146.99606	19.8
149.02321	18.6
158.99663	44.7
169.03448	6.5
170.99655	13.7
173.02980	4.0
177.00696	84.7
187.04486	4.6
189.00729	42.1
195.01727	8.9
198.05539	4.9
207.01762	18.1
215.03975	4.6
237.02715	7.4
255.03864	6.9
275.06079	19.6
279.04694	33.8
289.40570	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0495
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
53.03937	1.5
55.01866	3.0
56.57160	0.8
57.07038	2.0
59.94142	0.7
63.46189	0.8
65.88276	1.0
68.99773	1.2
69.03423	2.2
70.85983	2.7
77.03867	0.9
78.37690	0.8
79.01881	1.0
79.05457	1.5
81.03424	2.1
91.05459	2.6
95.04990	1.0
97.02877	3.6
103.05469	9.7
105.03308	1.0
105.07039	1.7
109.02850	1.4
111.84314	0.8
115.05450	4.3
119.04936	3.1
120.08116	2.3
121.02878	1.2
121.06467	1.8
125.02329	2.6
129.14159	0.9
131.04918	42.0
133.02812	4.2
133.06482	2.2
137.02319	2.5
139.03935	1.6
143.04854	2.5
147.04405	5.1
149.02335	12.3
149.05974	3.5
151.03879	2.4
153.01817	10.5
159.04407	66.1
160.04781	0.9
161.02290	1.3
161.05994	4.7
163.03888	12.9
164.73306	0.9
165.01836	3.8
165.05440	2.1
171.04378	2.8
175.03964	5.1
177.05452	26.6
179.03378	11.5
179.07010	4.5
181.01329	7.9
183.02882	4.1
187.03897	18.3
189.05463	2.1
191.03366	5.2
193.01276	1.9
193.04936	2.9
195.02913	1.4
197.00812	7.7
199.03903	2.9
203.03384	1.7
205.04955	100.0
206.05353	1.9
207.02870	30.5
211.02399	1.7
215.03400	13.6
216.04073	1.7
217.01326	1.6
217.04959	2.3
219.02820	1.7
221.04466	8.6
223.02324	2.8
223.06052	2.8
231.02957	1.1
233.04440	73.7
234.04639	1.6
235.02359	24.4
243.02904	3.8
249.03941	1.4
251.05501	2.4
261.03894	20.1
279.04990	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	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.43338	1.3
53.03931	6.2
55.05505	15.9
57.07074	2.5
65.03933	1.6
67.05498	30.4
68.31791	1.4
69.07064	14.8
70.06557	7.3
71.88525	1.3
77.03922	1.5
79.05487	76.4
81.07050	34.7
83.04968	1.7
83.08585	6.7
83.73766	1.2
85.06520	2.3
91.05470	25.9
93.07038	100.0
95.04964	7.7
95.08596	22.8
96.62576	1.2
97.06516	1.8
97.10142	2.6
98.21378	2.2
105.07027	13.3
107.08582	51.0
109.10141	10.8
115.02652	1.2
117.06979	2.8
119.08556	9.8
121.10133	41.7
123.08013	2.0
123.11691	2.7
129.81772	1.2
131.08546	4.8
133.10121	12.2
135.08035	1.9
135.11685	47.4
143.08574	1.6
145.10123	3.3
147.11684	9.1
149.09605	2.3
149.13231	23.0
157.10190	1.6
159.11659	1.6
161.13234	4.9
163.14810	4.2
171.11691	3.5
173.13258	2.1
181.12123	1.6
185.07195	1.3
185.13307	2.5
195.13968	2.0
213.16409	1.7
221.15340	3.6
235.16916	4.6
241.19366	1.7
259.20480	3.3
277.21603	61.0
277.36908	1.4
297.39059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50451	0.6
52.66553	0.5
67.05482	2.3
69.03408	1.1
70.14285	3.3
71.09424	0.6
82.99869	1.7
83.04958	1.9
86.99300	0.8
93.03371	1.9
95.04974	3.6
97.02849	1.0
97.09570	0.7
101.00856	16.7
103.02422	0.7
105.00401	0.7
109.01384	1.7
111.04415	2.4
115.02414	1.0
119.01911	68.4
120.01969	1.3
121.02854	6.9
125.04482	1.2
127.02388	7.3
129.03972	1.5
131.01921	1.5
133.03452	1.6
137.02953	20.3
138.02945	0.7
139.02414	1.0
139.03876	2.4
141.03940	0.9
142.03508	1.7
143.01894	4.2
143.05525	1.2
145.03450	49.5
146.03566	1.8
147.01410	1.5
151.02394	1.0
153.03929	1.4
157.03441	10.0
159.04990	1.4
161.02971	8.4
161.06577	1.1
163.04497	3.5
167.01918	2.3
168.05075	1.4
169.03452	64.8
170.03687	1.5
171.01338	1.6
171.05022	13.1
173.02921	0.8
175.04500	3.2
179.01932	1.5
183.05014	1.2
185.02954	31.1
185.06552	2.9
186.03160	1.2
187.04506	100.0
188.04680	3.6
189.02454	3.0
189.06058	2.2
193.03563	1.1
195.05006	6.3
197.02969	15.0
203.02122	0.8
203.03969	9.4
205.05563	16.8
208.04619	1.0
210.06113	4.5
211.04526	6.0
213.02467	1.9
213.05992	5.2
215.03996	23.3
216.04173	0.7
221.02983	5.1
229.05559	47.2
230.05836	1.8
231.03503	3.2
231.07124	1.0
233.05057	0.7
239.03979	5.2
247.06619	28.8
249.04546	2.9
257.04980	5.5
270.08176	1.5
275.06094	97.1
276.06314	3.5
293.07141	20.0
294.07132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0911
Annotation	Lecanorin
Peak:m/z	Relative Intensity
50.93057	1.0
51.02372	1.1
51.07690	0.8
52.86713	0.8
53.03931	1.4
55.01871	3.7
55.05501	7.3
56.93370	0.8
64.28627	0.8
65.03929	1.6
65.76694	0.9
67.05490	4.0
68.99793	1.5
69.03436	2.2
69.07075	1.3
70.05739	4.0
79.05490	5.6
81.07056	2.9
83.04976	44.8
83.08640	1.0
87.41004	0.9
91.05472	13.3
93.07034	2.4
95.04965	11.0
95.08579	1.2
97.02892	2.0
103.05457	2.5
105.04590	0.8
105.07025	5.6
107.04945	100.0
107.08569	1.8
109.06542	1.3
111.04436	8.7
112.57924	0.9
117.07031	2.5
119.04932	22.5
119.08589	2.8
121.02847	2.0
121.10131	1.5
123.04417	23.1
125.05953	1.9
131.04913	6.4
131.08556	3.5
133.06499	1.9
133.10123	1.7
134.72607	0.9
141.07010	3.5
143.08577	1.5
144.05701	2.5
145.06480	4.1
145.10138	1.6
147.04401	79.9
147.11649	1.8
151.03879	17.3
152.06090	1.0
159.04411	1.3
159.08032	4.8
159.11742	1.0
163.03883	1.1
165.06911	1.2
167.08513	1.2
168.98270	0.9
169.04968	67.6
169.06403	5.1
171.04402	0.9
171.08064	1.6
173.05971	19.9
175.03978	1.0
183.08128	1.5
185.09544	2.2
187.07530	47.8
191.03433	1.7
197.06004	3.0
211.07433	1.1
213.09164	3.2
215.07022	3.1
217.04951	3.1
229.08548	5.5
239.06932	1.7
243.06610	1.7
257.08044	6.8
257.19061	1.1
275.06174	1.4
275.09085	12.0
275.16937	1.5
275.20059	11.6
293.10208	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.091
Annotation	Phloretin
Peak:m/z	Relative Intensity
55.05500	0.8
65.03923	1.1
67.05480	0.7
69.03436	0.3
69.07066	0.3
69.38773	2.0
69.39180	0.5
81.07054	0.4
83.04971	3.3
84.94095	0.3
91.05470	13.2
95.04955	0.8
95.08580	0.4
97.02891	0.3
105.07011	0.5
107.04942	6.9
107.08575	0.3
111.04443	2.6
119.04926	31.1
123.04430	1.4
128.06169	0.2
129.05464	0.3
131.04893	0.5
131.08556	0.3
133.10080	0.4
141.06966	0.3
145.06456	0.9
145.10138	0.3
147.04390	100.0
148.04762	1.0
151.03899	0.8
154.74779	0.3
157.06532	0.4
159.08043	0.4
159.14078	0.3
169.04973	3.2
169.06448	0.6
173.05980	1.0
187.07515	2.6
197.06013	0.5
199.03842	0.4
201.05420	1.6
215.07028	0.4
217.04951	0.6
229.08690	0.3
257.07819	0.4
275.09061	2.1
275.20160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.091
Annotation	Lecanorin
Peak:m/z	Relative Intensity
53.03933	1.0
55.01860	1.7
55.05512	5.8
57.07056	2.1
65.03921	1.5
66.24134	0.7
67.05480	3.1
67.24997	0.7
69.03407	0.7
69.37733	9.4
70.06586	1.0
71.08604	0.8
79.05491	2.5
81.03365	0.9
81.07043	1.9
83.04977	30.9
83.08609	0.9
88.07630	1.3
91.04935	1.1
91.05477	12.3
93.07042	1.7
95.04958	6.5
95.08589	1.7
97.02897	1.1
104.89182	0.7
105.04481	1.1
105.07011	4.7
106.08691	1.0
107.04947	47.1
111.04436	9.3
115.05411	1.0
117.06995	2.0
119.04936	26.9
119.08561	2.7
121.02823	1.2
121.10133	1.3
123.04435	12.7
128.06302	0.9
131.04910	2.8
131.08597	3.6
133.06500	0.9
133.10152	1.8
135.04387	0.8
141.07019	2.2
143.08568	0.9
145.06491	4.1
145.10118	0.8
147.04399	100.0
147.11676	1.1
151.03868	8.1
157.06470	0.9
159.08067	3.1
159.11707	1.7
161.05968	1.4
163.03821	1.1
169.04973	28.0
169.06444	2.0
171.04359	1.0
173.06001	8.7
173.13196	1.1
183.08104	1.5
185.09659	1.3
187.07535	22.2
191.06993	1.3
193.04910	1.0
197.05968	1.6
199.03951	1.2
211.07571	1.6
213.09169	1.0
215.07027	3.1
215.10628	5.8
217.04958	3.2
229.08577	3.1
233.08006	0.9
233.11671	1.1
243.10223	1.4
257.08093	3.4
274.27423	2.5
275.05798	1.2
275.09116	12.9
275.12360	1.4
275.16431	1.5
275.20035	6.2
275.27789	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	275.091
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.34518	0.8
51.78338	0.9
53.03936	1.5
55.01861	3.0
55.05506	8.6
61.12933	0.9
63.36432	0.9
65.03936	1.7
67.05489	5.0
69.03401	2.7
69.07051	2.5
70.53271	1.7
70.53666	2.0
71.04973	1.1
79.05473	4.4
81.03394	1.6
81.07017	4.3
83.04971	40.9
83.08625	1.2
91.05474	14.6
93.07022	3.2
95.04954	11.5
95.08595	3.9
97.02876	1.8
97.06508	1.5
103.05436	1.3
105.07018	7.2
107.04942	100.0
107.08564	3.4
108.05299	1.0
109.10155	1.5
111.04428	9.1
115.05442	1.8
117.07004	3.1
119.04066	1.5
119.04924	21.7
119.08585	5.0
121.02841	2.9
121.10156	1.8
123.04415	26.5
125.06008	1.8
127.03887	1.5
129.06995	1.3
131.04910	3.2
131.08549	4.0
133.06445	2.7
133.10097	3.5
135.04364	1.1
141.06964	3.4
144.05658	2.2
145.06462	3.9
145.10086	1.8
147.04391	82.2
147.11664	2.3
151.03877	19.0
152.68552	0.9
157.10085	1.4
159.04395	1.1
159.08055	4.0
161.05949	1.2
161.13254	1.0
165.07007	2.0
169.04958	75.3
169.06436	5.7
171.04454	1.1
171.11723	1.2
173.05974	19.0
173.13310	1.3
175.03896	1.4
183.08046	1.0
185.09610	1.7
187.07524	49.0
197.05960	4.9
199.03865	1.6
211.07515	2.2
213.09109	3.0
215.07059	2.9
215.10643	5.5
217.04956	6.6
229.08548	8.5
239.06990	2.3
257.08112	7.4
257.18866	1.7
275.06140	1.6
275.09042	11.2
275.12039	1.4
275.20053	9.7
275.23257	1.3
276.62411	1.1
293.20682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0913
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03932	0.7
53.59149	0.2
55.01852	0.2
55.10278	0.2
56.62778	0.2
59.90316	0.2
61.06461	0.2
67.01845	0.2
67.05494	0.4
69.03432	0.2
69.07034	0.3
70.99683	0.5
71.00040	0.4
79.05483	1.4
81.07039	0.5
84.04505	0.2
84.63340	0.2
85.02914	0.4
86.09704	0.7
91.05459	0.4
92.87024	0.2
93.07039	0.4
95.04971	1.3
98.20637	0.2
105.04546	0.3
105.07033	0.4
107.04945	100.0
108.05274	0.9
109.10122	0.3
117.62800	0.2
119.08572	0.4
121.06532	0.4
123.04417	0.5
127.03912	1.1
127.72111	0.2
131.08585	0.4
133.10138	0.5
146.11790	0.5
147.11630	0.2
149.05945	0.6
151.03885	1.5
153.01837	0.3
169.04953	10.0
211.48773	0.2
215.07028	0.2
229.04948	0.4
257.08023	0.3
275.05515	0.3
275.09152	1.6
275.20160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0912
Annotation	Lecanorin
Peak:m/z	Relative Intensity
51.00364	0.2
51.02376	0.3
53.03940	0.5
53.04339	0.2
53.30739	0.2
55.01858	0.5
55.05502	0.6
67.01841	0.3
68.99783	4.5
69.88779	1.2
69.89187	0.5
79.05479	1.0
81.02932	0.2
81.03401	0.9
81.07024	0.6
83.04979	0.3
84.04516	0.5
85.02880	1.3
86.09692	0.8
87.00845	0.3
91.05474	0.5
93.07056	0.7
95.04961	0.8
95.08602	0.3
97.02791	0.3
98.20679	0.3
99.04412	0.3
105.07004	0.4
107.04942	100.0
108.05246	0.7
109.02885	1.1
111.00797	10.7
116.40240	0.3
119.08575	0.5
121.06509	2.5
121.10198	0.6
127.03902	57.8
128.04260	0.5
131.08531	0.4
133.10078	0.5
135.08023	0.6
137.09656	0.6
146.11813	0.7
149.05997	1.1
169.04948	18.9
181.04973	0.3
182.83424	0.3
185.02919	0.3
191.07010	0.8
202.53110	0.3
203.03952	0.4
275.01965	0.3
275.09067	3.7
275.20068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14042	0.5
54.69086	0.5
56.05041	2.6
56.89530	0.5
65.16019	0.5
69.07057	1.6
71.47368	1.1
84.04498	46.9
85.02876	0.7
86.06062	1.5
86.09701	100.0
96.04478	0.6
102.05540	1.2
107.62090	0.5
128.07127	1.3
130.04990	6.0
138.33934	0.5
142.05031	1.9
146.11751	43.6
152.10728	1.4
156.06593	1.0
169.08618	1.8
184.13333	3.2
198.11194	2.8
212.12862	2.7
233.29312	0.6
258.13391	6.8
275.16028	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05496	1.9
56.05028	2.7
57.07071	3.0
67.05505	1.1
68.99785	0.6
69.03412	0.8
69.07060	0.9
70.23779	1.9
79.79717	0.4
81.07040	0.6
83.08603	1.9
84.04494	60.4
85.02916	0.9
86.06063	4.2
91.05447	1.0
93.07055	0.9
96.04453	0.7
98.20714	0.6
100.11246	100.0
101.00872	0.6
101.11598	0.6
101.82893	0.5
102.05529	1.6
107.08575	0.8
109.10144	0.8
110.06110	0.5
114.05514	1.9
119.01871	1.0
130.04990	11.3
133.10158	0.5
142.05020	3.3
144.09410	0.5
145.03455	0.8
146.11748	48.3
147.12033	0.7
148.06033	0.6
149.02321	1.1
161.03004	0.5
163.03859	0.7
166.12292	1.4
173.05864	0.5
173.11783	0.6
183.04440	0.8
183.10197	1.4
185.02985	0.9
185.05952	0.5
201.05428	0.6
203.03975	1.0
212.12787	10.2
229.04916	1.7
247.03035	1.4
247.06036	1.3
257.04376	1.3
257.15051	0.9
258.13333	9.2
270.04620	1.1
275.05414	3.3
275.13364	0.7
275.16064	10.9
275.19424	0.7
275.20328	0.7
275.23978	0.6
275.27988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05508	5.6
55.76210	0.4
56.05024	2.7
58.06593	1.0
67.05493	0.7
68.05009	0.4
68.99773	0.4
69.67518	2.4
69.67934	0.8
79.05508	0.5
81.07066	0.7
83.08611	8.8
83.17085	0.5
84.04498	49.8
85.02869	0.6
86.09679	0.4
91.05455	0.9
91.09113	0.4
95.08631	0.4
96.04482	0.4
97.06501	0.6
100.11249	100.0
101.11569	0.6
102.00109	0.7
102.05533	1.3
105.07018	0.5
107.04911	0.8
107.08610	0.5
109.10201	0.5
114.05535	1.6
119.10545	0.4
120.08094	0.5
121.02871	0.5
125.80132	0.4
130.04994	8.1
137.66853	0.4
141.36157	0.4
142.04985	0.9
146.11752	40.4
149.02301	0.6
152.22090	0.4
154.06659	0.5
159.09177	0.6
166.12260	1.1
183.04579	0.5
184.07654	0.8
184.13289	2.4
200.07509	0.7
212.12808	10.8
217.63246	0.4
219.06418	0.5
229.04973	0.8
229.13402	0.7
247.03087	0.8
247.05966	0.7
257.04462	0.8
257.12726	0.6
258.13367	8.7
270.04459	0.6
275.05276	2.9
275.13388	0.7
275.16068	10.2
275.19452	0.5
275.20337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03929	2.8
55.01875	2.5
55.05507	12.5
57.03429	5.9
57.07055	5.2
64.13340	1.6
64.47488	1.6
65.03916	2.3
65.27767	1.3
66.70173	1.6
67.05498	17.3
69.03411	2.3
69.07068	12.2
70.06590	5.2
71.04977	6.1
71.72174	2.6
71.72585	2.5
75.94366	1.6
79.05488	20.2
81.07055	26.6
83.04962	5.9
83.08595	6.3
85.06528	5.9
88.07617	5.9
91.05471	41.0
93.07043	26.8
95.04945	4.6
95.08600	19.9
97.06544	2.6
97.10171	2.7
105.07023	54.1
105.07732	2.9
106.08650	3.7
107.04934	6.1
107.08604	17.2
109.06514	12.0
109.10123	5.6
111.08088	4.3
117.07005	13.1
119.08572	40.7
121.06483	3.9
121.10155	15.7
123.08035	6.3
123.11710	2.8
128.06175	2.3
129.06999	5.5
131.08565	22.5
133.10117	35.8
135.08041	10.5
135.11684	7.7
137.09605	5.4
142.07780	3.3
143.08528	8.3
145.10110	17.9
147.11670	18.0
149.09641	8.0
149.13261	2.9
151.11052	1.9
155.08585	2.0
157.10097	11.5
158.10876	3.3
159.08057	1.6
159.11668	25.4
161.09615	3.6
161.13220	6.0
162.95343	1.5
163.11168	5.8
165.12718	1.9
171.11674	7.7
173.09798	2.1
173.13228	25.5
174.13986	2.6
175.11172	6.1
175.14796	3.7
177.12755	4.7
183.11662	8.2
185.13280	3.2
187.14780	4.0
191.14304	5.7
197.13223	6.2
199.14806	6.8
201.12708	4.3
201.16412	1.9
203.14192	2.5
213.16391	2.3
215.17915	3.0
229.19553	2.3
239.17920	7.4
247.20482	4.1
257.18994	18.5
257.26712	3.2
275.20053	100.0
275.27713	43.6
276.20300	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	275.2004
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
53.24010	1.0
55.01860	1.1
55.05495	4.6
57.07051	1.3
60.26337	0.9
67.05511	4.6
69.07069	10.0
70.42034	1.6
70.42425	2.4
71.04992	1.9
79.05493	4.6
81.07053	5.5
83.04984	1.4
83.08595	1.7
85.06538	3.1
87.38534	1.0
88.07610	1.2
91.05469	8.3
93.07044	10.1
95.04973	2.8
95.08598	8.2
97.06532	1.2
99.08109	1.0
105.07011	12.4
106.08638	1.2
107.08574	6.1
109.06499	3.1
109.10140	6.9
111.08070	22.5
113.09641	2.7
117.07037	2.1
119.08575	7.8
121.06499	2.7
121.10133	7.0
122.07293	4.4
123.08072	13.0
123.11677	2.5
129.06985	1.4
131.08546	8.3
133.10133	7.0
135.08040	22.8
135.11665	4.4
137.09543	1.6
139.11151	1.7
143.08530	2.8
145.10155	8.5
146.11746	1.2
147.11670	7.5
148.08859	1.2
149.09608	3.7
149.13205	1.3
156.09334	2.9
157.10123	3.6
159.11676	7.0
161.09616	3.4
161.13231	1.6
163.11157	4.4
165.12718	1.6
169.10115	1.8
171.11697	11.0
173.13232	4.0
175.11172	1.8
175.14862	1.1
176.11943	5.2
181.12222	15.6
189.12756	2.1
189.16525	1.4
191.14294	100.0
192.14644	2.6
197.13234	2.3
199.14806	4.0
205.12440	1.1
213.16339	2.0
215.14285	1.5
215.17982	3.7
217.15871	4.3
233.18924	1.2
239.17903	1.3
257.18951	6.7
257.26657	1.5
275.05249	1.1
275.20050	39.4
275.27759	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03938	2.2
54.04159	0.9
55.01870	7.4
55.05284	1.2
55.05511	15.3
65.03913	1.0
67.05505	17.6
69.07059	12.5
70.24201	4.5
71.04978	2.1
79.05488	23.3
81.07049	36.5
82.07376	1.1
83.04960	2.5
83.08604	3.9
91.05471	49.7
93.07039	20.8
95.04948	3.6
95.08605	11.6
97.06522	10.6
97.10167	2.6
103.05465	2.8
105.07021	100.0
107.04931	5.0
107.08577	10.6
109.06513	1.1
109.10132	3.3
115.05433	1.4
117.07004	11.5
119.08565	40.9
121.06529	1.5
121.10136	5.0
123.08041	1.8
125.09594	1.5
129.06964	1.2
131.07658	1.6
131.08560	20.5
133.10120	58.8
135.08017	2.1
135.11685	3.3
137.09549	1.8
139.07550	1.0
143.08513	2.3
145.10109	16.1
147.11688	21.9
149.09563	2.5
149.13190	1.4
151.11168	1.5
155.08527	1.7
155.32233	0.9
157.10114	2.7
159.11679	8.4
161.09555	1.5
161.13246	3.5
161.18871	1.0
163.11159	3.0
165.09149	2.3
165.29521	1.0
169.10112	1.5
171.11641	1.5
173.13229	3.3
177.12700	1.7
183.11670	1.9
187.11189	1.2
197.13127	1.5
239.18022	2.2
247.20776	2.4
257.19028	5.6
275.20041	68.6
275.27692	4.1
276.20389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.5
56.96571	13.8
59.57516	2.3
69.83803	18.2
81.03342	2.4
98.97575	88.9
101.00859	6.4
101.98933	2.4
116.98618	82.2
119.01945	19.3
121.01661	6.4
131.01913	2.8
134.99649	44.2
137.02895	4.9
153.00691	5.7
157.03424	6.0
158.01335	3.1
161.03021	13.1
163.03871	11.7
175.04527	4.9
177.00905	10.1
179.00708	3.2
185.02939	5.5
219.02005	27.9
221.01605	2.8
235.16919	6.2
236.99585	3.4
254.16481	2.8
258.99731	54.1
276.97305	11.8
277.00757	100.0
277.07770	18.0
277.17871	5.3
294.98492	8.2
295.09021	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	277.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06861	1.3
55.01858	1.2
56.05016	4.8
56.96544	1.2
57.07069	9.7
60.72844	1.3
67.05493	10.8
69.03383	1.4
69.07051	1.3
70.07932	3.1
70.08341	4.5
74.02432	60.2
74.43620	1.4
81.07064	1.8
82.02896	3.6
84.04494	100.0
84.08130	24.2
85.02877	2.2
85.06534	64.8
86.06083	1.4
86.09696	26.5
91.05458	2.3
93.07029	2.3
95.04955	3.8
95.08582	1.4
97.02896	2.3
100.03961	4.6
102.05531	2.0
102.09166	49.5
105.07030	1.8
107.04870	1.2
109.10155	1.5
113.05960	6.2
119.04986	1.7
121.10136	1.9
130.04102	2.3
130.04990	25.5
130.07661	2.3
130.08626	33.9
132.10202	12.4
139.03891	2.6
140.03380	2.2
146.34412	1.5
147.07486	2.1
148.05991	2.1
148.09666	92.2
149.02347	3.0
150.09123	5.2
151.03915	3.4
159.11601	1.7
168.10196	7.4
179.10651	2.7
181.04941	4.1
188.06987	1.4
196.09697	6.2
209.70827	1.3
213.12352	2.2
214.10703	5.1
235.16864	9.4
242.10149	2.5
259.12912	16.6
260.11240	7.8
266.23495	1.4
277.03531	3.5
277.06976	1.9
277.13977	14.6
277.17996	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	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.03010	1.6
50.16233	1.3
53.03936	5.8
55.01852	3.1
55.05506	19.1
57.07060	5.1
65.03926	1.9
67.05502	45.5
69.07063	19.5
70.39476	8.0
71.04988	3.7
71.08313	1.7
71.08629	21.0
79.05489	64.4
81.03415	4.3
81.07050	61.7
83.04955	4.7
83.08619	10.7
85.06525	2.0
91.05474	36.5
93.07037	100.0
93.95242	1.5
95.04973	12.9
95.08598	39.5
97.06497	5.9
97.10139	4.5
98.56840	1.5
99.08072	13.7
105.04509	2.1
105.07029	20.5
107.04916	3.1
107.08581	60.3
109.06508	1.8
109.10148	15.4
111.08057	1.7
115.05495	1.9
117.06995	4.0
119.08572	13.8
121.10138	47.3
123.08041	2.3
131.08527	5.1
133.06447	2.3
133.10117	13.1
135.11678	61.5
137.09531	2.4
143.08540	2.8
145.10121	6.1
147.11717	9.2
149.02342	3.9
149.13269	18.8
150.29311	1.6
151.11162	9.7
159.11624	3.7
161.13193	10.6
163.11139	5.7
163.14847	3.6
167.10603	3.2
171.11613	4.8
175.14749	3.1
177.12758	2.8
179.14304	24.8
181.12219	2.9
182.09698	1.8
185.13179	3.6
189.12654	1.7
190.15646	1.7
195.13815	2.9
199.14844	2.2
203.14273	2.6
217.15706	2.2
221.15324	4.3
224.39832	1.6
235.16919	7.6
241.19579	2.4
259.20578	4.9
277.18292	4.7
277.21585	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03926	4.4
55.01853	4.3
55.05284	2.2
55.05508	25.8
57.03421	3.1
57.07069	12.6
58.09484	1.9
59.05003	4.0
63.29301	1.9
65.03939	2.9
67.05498	34.4
69.03424	23.9
69.07059	22.6
71.04992	12.0
71.31294	4.5
76.67197	1.9
79.05093	2.6
79.05489	32.0
80.39310	1.9
81.03423	12.0
81.07049	64.3
83.04971	23.7
83.08620	13.8
85.06544	20.8
91.05470	19.3
93.07034	68.1
95.04943	6.8
95.08010	3.5
95.08593	46.9
97.02937	2.0
97.06528	9.4
97.10163	4.7
99.08061	3.1
105.07019	33.7
107.04923	7.1
107.08581	58.6
109.06506	23.2
109.10146	52.1
111.08052	12.6
113.09621	20.6
116.82891	1.7
117.06980	5.9
119.08578	37.9
121.02880	2.3
121.06453	5.7
121.10129	66.7
122.07286	2.8
123.04425	2.4
123.08038	13.2
123.11692	27.3
125.09618	8.6
131.08542	11.2
133.06532	2.3
133.10118	49.0
135.08040	8.5
135.10655	2.1
135.11678	34.7
137.09605	27.6
139.11142	17.5
143.08569	3.3
144.09319	2.8
145.10120	15.2
147.04338	2.1
147.08051	4.7
147.11682	18.5
149.02330	56.9
149.09607	12.8
149.13225	13.3
151.11166	49.3
157.10109	7.5
159.11716	14.4
161.09612	6.9
161.13248	19.0
163.11147	6.1
163.14751	2.3
165.12692	8.7
167.03427	2.0
171.11652	4.4
173.13232	3.4
175.11179	7.8
175.14815	36.6
177.16290	3.1
179.10629	4.3
185.13203	10.8
189.12721	6.9
189.16299	3.4
193.15889	6.9
199.14859	3.7
201.16396	17.1
203.14330	11.1
215.17937	2.5
217.15880	4.5
217.19479	5.3
219.17375	4.7
221.15460	2.3
235.16914	11.4
241.19501	6.5
249.03877	2.7
259.17096	2.0
259.17676	2.6
259.20529	24.0
271.45056	2.1
277.03403	4.6
277.18097	9.5
277.21570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03932	1.7
55.01862	1.1
55.05507	16.0
57.07074	4.3
59.04988	0.4
61.95603	0.4
65.03920	1.9
67.05504	7.3
69.03425	4.2
69.07060	5.2
71.04996	3.3
79.05486	5.2
81.03400	1.2
81.07050	13.1
83.04968	6.5
83.08615	3.2
85.06548	3.4
91.05489	4.0
93.07041	13.1
95.04940	1.7
95.08600	10.0
97.06516	1.6
97.10177	1.1
99.08144	0.6
105.07018	5.5
107.04944	10.8
107.08590	9.9
109.06523	3.4
109.10146	10.7
111.04427	1.1
111.08075	3.0
113.09647	3.8
117.06990	1.1
119.08565	7.4
121.02873	5.5
121.06506	1.6
121.09279	0.8
121.10137	12.4
123.08056	1.9
123.11700	5.2
125.09631	2.1
131.08582	2.6
133.10110	9.0
135.08012	1.1
135.11697	6.5
137.09613	5.4
137.13261	0.8
139.11186	3.2
143.08543	0.9
145.10097	2.8
147.04402	0.8
147.11664	4.1
149.02332	100.0
149.09598	2.4
149.13255	2.5
150.02684	1.6
151.03880	0.7
151.11169	9.9
157.10147	1.2
159.04407	0.9
159.11694	2.5
161.09621	1.0
161.13216	2.5
163.11182	1.2
165.12773	1.9
167.03397	1.6
171.11693	0.8
173.13210	1.0
175.11230	1.4
175.14825	6.7
179.14265	0.6
185.13242	2.1
189.12697	1.3
190.04996	0.6
193.15912	1.4
199.14865	1.4
201.16356	3.3
203.07074	1.6
203.14345	2.5
205.08528	1.1
217.15912	1.0
217.19498	1.3
219.06403	0.7
219.17393	1.0
221.15459	0.8
228.58301	0.5
235.16910	2.5
241.19521	1.9
259.20523	4.4
277.03604	0.6
277.11801	0.7
277.14490	2.4
277.18005	3.8
277.21603	17.4
278.21494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03933	4.9
55.01862	2.3
55.05507	18.7
57.03415	2.0
57.07053	6.5
65.03926	2.4
65.39941	1.4
67.05500	42.3
69.07062	16.3
70.37794	1.5
71.04981	2.0
71.08630	21.3
71.71246	1.7
76.10400	1.5
79.05489	70.2
81.03403	4.7
81.07053	57.8
83.04935	4.7
83.08638	8.6
85.06505	2.3
91.05476	28.8
93.07039	100.0
95.04964	12.3
95.08024	2.4
95.08605	37.3
95.73305	1.4
97.06525	5.0
97.10161	3.8
99.08086	13.6
101.05929	1.7
105.07027	18.1
107.04932	5.1
107.08585	57.8
109.06478	4.8
109.10159	12.8
117.06991	4.9
119.08578	12.1
121.06528	2.5
121.10135	46.1
123.08060	2.6
123.11666	3.0
129.06969	4.0
131.08540	4.7
133.10098	13.7
135.11681	56.3
137.09572	3.0
141.09048	3.3
143.08521	4.2
145.10121	4.9
147.11649	6.1
149.02307	3.3
149.09766	1.8
149.13242	21.6
151.11136	6.0
157.10139	2.8
159.11664	4.1
161.13251	9.8
163.11177	4.2
163.14844	4.4
171.11682	2.2
173.13295	2.9
175.14764	2.4
179.14297	23.3
179.19142	1.6
185.13179	3.4
189.16405	1.6
195.06613	1.8
195.13754	3.2
199.14783	2.1
207.13878	2.2
213.16353	1.9
217.15927	1.9
221.15302	4.8
235.16858	10.3
239.57774	1.7
259.20563	6.2
277.18137	5.6
277.21600	86.2
278.21887	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23822	0.7
54.93816	1.4
56.96310	1.3
56.96561	15.8
62.01907	0.7
69.71210	6.1
69.96172	6.8
70.95865	1.3
71.95253	2.7
98.20712	1.5
98.97575	100.0
101.00868	2.9
116.98611	81.6
119.01910	12.6
130.93250	1.2
131.96138	3.4
134.99648	42.7
137.02927	3.6
140.00180	2.7
142.03481	3.3
145.03426	3.6
149.97188	3.4
153.00687	5.3
157.03374	1.0
158.01198	2.9
161.02840	1.1
169.03450	2.4
171.05029	1.0
172.94337	3.6
174.97580	1.6
177.00941	7.3
178.00999	1.6
187.04541	4.5
190.95348	5.5
192.98753	1.4
207.96153	1.2
208.96303	4.8
214.95447	1.9
216.98676	2.4
219.01958	4.4
220.01970	1.9
221.01736	1.7
229.05534	1.7
232.96423	9.0
234.99762	6.2
239.96024	0.9
247.06567	1.2
247.47929	0.8
248.96024	1.6
249.46146	0.9
249.97237	1.0
249.99374	8.9
250.97437	10.4
251.46255	1.0
256.96481	18.8
257.96628	1.8
258.96393	3.1
258.99652	1.1
259.96552	1.1
260.46960	2.0
261.03009	7.4
261.49963	1.9
269.99100	0.9
274.97464	90.2
275.06290	4.7
275.97772	1.1
283.00009	1.8
292.98462	64.9
293.98074	1.1
297.99081	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38821	0.6
58.36523	0.7
62.14270	0.8
64.87296	0.8
65.03919	1.1
67.05501	3.2
69.03425	1.5
70.23726	3.0
70.24072	1.0
82.99877	1.9
83.04958	1.9
85.23842	0.6
93.03382	2.3
95.04967	3.9
97.02879	1.3
100.88976	0.7
101.00861	18.9
105.00344	1.5
107.03444	1.0
109.01373	1.4
111.04423	1.8
115.02397	0.8
119.01910	69.2
120.02019	1.9
121.02858	5.7
124.02455	0.7
125.04483	1.4
127.02406	11.5
129.03932	1.0
131.01894	1.4
133.03444	1.2
135.61061	0.7
137.02950	15.6
139.03920	1.7
141.04002	0.8
142.03458	1.9
143.01843	3.4
143.05513	1.9
145.03450	52.5
146.03595	1.2
147.05083	0.8
151.02425	1.6
153.03951	2.4
157.03465	10.7
159.05003	1.6
161.02948	6.9
161.06593	1.2
163.04494	4.2
167.01787	0.9
168.05046	0.7
169.03453	51.8
170.03619	1.5
171.01349	1.4
171.05022	10.5
173.02873	0.8
175.04568	3.6
179.01894	1.7
183.04921	1.7
185.02942	22.6
185.06549	1.6
186.03340	0.7
187.04507	71.5
188.04666	1.5
189.02457	2.1
189.06053	1.7
195.05011	5.0
197.02943	12.2
198.03021	0.8
203.02148	1.1
203.03960	6.6
205.05553	11.9
208.04549	1.0
210.06082	2.9
211.04507	4.8
213.02429	1.5
213.06126	3.3
215.03993	15.7
221.02977	4.0
229.05550	45.3
230.05710	1.2
231.03410	3.4
231.07014	1.1
239.03967	3.3
247.06621	27.4
248.06862	1.5
249.04573	2.7
257.05035	4.8
270.08194	1.9
275.06091	100.0
276.06274	3.6
293.07126	17.7
294.07263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
58.15363	0.2
58.87073	0.2
67.01514	0.3
67.01861	5.8
68.99777	3.0
69.03429	1.6
71.19232	0.6
78.08270	0.2
81.03393	0.6
83.01340	0.4
85.02885	0.3
91.05472	5.6
95.04969	1.8
97.02876	1.1
99.30121	0.2
107.04950	2.2
111.00777	0.8
119.04932	15.0
121.02850	0.5
121.06509	1.4
121.96561	0.2
123.04420	3.8
125.02328	0.9
127.03939	0.4
129.01817	0.6
145.06532	0.2
147.04398	36.7
148.04715	0.7
151.03845	0.6
153.01814	100.0
154.02141	1.3
163.84679	0.2
167.38927	0.2
171.02872	15.1
179.03395	1.5
181.06364	0.4
189.05478	0.8
227.07013	0.3
231.06519	0.7
255.06490	0.5
273.07553	60.3
274.07974	1.3
274.65201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0966
Annotation	Arbutin
Peak:m/z	Relative Intensity
51.85017	0.6
55.01861	0.7
55.05509	8.5
57.01115	0.7
69.07057	0.7
71.61842	1.2
77.26450	0.7
78.57011	0.6
83.04974	43.3
84.05341	0.7
88.49504	0.6
105.07063	0.8
111.04433	100.0
112.04755	1.2
127.03996	0.9
129.05501	1.7
132.75157	0.7
145.10191	1.3
147.04388	0.9
153.01854	2.0
153.05460	16.9
171.06630	0.8
188.53703	0.9
273.07550	1.7
273.15445	0.9
273.18530	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	273.1119
Annotation	Uvangoletin
Peak:m/z	Relative Intensity
50.84090	0.7
53.03939	0.7
53.60015	0.6
55.05496	1.0
56.96558	4.9
61.74765	0.7
63.55827	0.8
65.03938	3.4
67.05500	4.0
68.99770	3.4
70.08225	3.5
79.05480	3.0
81.07043	3.5
83.08607	0.7
88.68236	0.7
91.05473	100.0
92.05821	0.9
93.07040	1.4
95.04945	1.2
95.08597	3.0
95.59852	0.7
98.20708	0.8
103.05457	2.6
105.07021	85.0
107.08572	0.9
109.06536	0.7
109.10139	1.3
111.04446	1.6
115.05444	12.5
117.06976	3.3
119.04932	1.7
119.08558	0.7
121.10154	0.8
123.04353	1.4
123.11740	0.8
128.06204	1.0
129.06937	3.2
131.00168	1.7
131.04906	1.3
131.08537	0.7
133.06485	13.3
137.05980	1.5
139.03880	8.7
141.05478	5.0
146.09627	0.9
147.04398	5.6
149.01169	5.9
151.07434	0.7
152.06274	1.6
153.01843	3.9
153.05461	7.8
153.06883	1.9
155.08559	2.5
156.75842	0.6
157.06467	4.0
162.03130	1.9
165.05553	1.5
165.06973	2.0
167.02257	3.0
167.03499	1.7
167.08551	6.3
168.03799	0.8
169.05058	3.6
172.02798	1.0
177.05463	15.6
177.07005	1.4
181.06548	0.7
191.10083	3.0
195.08086	5.1
195.09625	1.0
211.61389	1.5
213.09102	1.4
223.07523	4.9
227.10626	1.8
237.09019	1.1
240.07771	1.1
252.15132	0.7
255.10146	36.1
266.64734	0.7
273.07874	1.4
273.11194	27.9
273.18518	2.9
273.22974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2574
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03939	3.0
55.05503	18.5
57.07056	7.4
57.42778	2.2
67.05502	31.4
69.07062	49.2
71.73074	2.6
79.05491	12.3
81.07047	84.4
83.08611	18.9
88.19666	2.1
91.05476	16.3
93.07036	41.2
95.08601	89.5
97.10139	11.5
105.07018	27.3
107.08593	65.4
107.09330	2.9
109.10158	70.0
111.11678	4.4
116.05335	2.2
116.99783	1.9
117.07005	2.2
119.08562	31.8
121.10137	49.3
123.11704	53.3
125.22727	2.0
130.83965	2.5
131.08502	2.3
133.10117	21.1
135.11690	34.2
137.13263	12.3
147.04427	2.9
147.11684	26.8
149.13251	57.3
151.14818	9.3
153.01720	3.4
161.13258	26.1
163.14810	30.7
165.16376	4.0
175.14798	15.1
177.16386	19.5
189.16380	22.0
191.17990	14.1
203.17967	18.2
217.19528	33.5
231.21082	4.4
273.18787	3.4
273.25763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0749
Annotation	5,7,3'-Trihydroxyflavanone
Peak:m/z	Relative Intensity
55.01861	1.0
55.05487	0.8
56.05019	1.6
56.96558	2.8
65.03931	1.1
67.01862	3.7
67.05492	0.7
68.99782	7.6
69.03426	1.9
69.07054	0.5
70.02950	0.5
70.06578	1.7
71.12327	1.0
79.05497	0.8
80.04997	0.6
81.03388	0.7
81.07063	0.5
83.04977	2.4
84.04509	0.6
85.01139	0.8
85.02888	1.6
86.99046	0.5
91.05470	7.6
93.07048	0.4
95.01250	0.5
95.04954	2.5
95.08596	0.7
96.08112	0.8
97.02876	1.7
98.09692	2.6
103.05459	0.8
105.07027	1.9
105.35275	0.4
107.04955	2.8
109.02843	0.7
110.09676	0.7
111.00802	1.0
111.04414	0.9
112.03995	1.0
113.04222	0.9
115.05457	1.9
116.01662	1.8
116.07073	1.2
119.04931	17.9
121.02853	2.0
121.06502	1.9
123.04425	7.4
127.03907	0.6
128.30823	0.4
131.04924	0.8
133.02831	0.9
133.06464	1.3
135.04390	0.5
137.02335	2.5
143.04884	0.8
144.01193	0.6
144.06519	0.6
147.04398	45.0
149.05954	0.8
153.01816	100.0
154.02164	1.5
156.08437	2.7
157.06517	1.2
159.04515	0.5
161.01157	0.9
161.05962	2.1
163.03976	0.7
165.01828	0.6
169.01463	0.5
170.11790	3.6
171.02882	6.4
171.04413	4.1
175.03935	1.1
177.05486	1.1
179.03377	1.5
181.06540	0.9
183.01419	0.5
185.01201	0.6
185.05963	0.5
189.05444	5.2
197.01053	0.7
199.03880	1.9
202.00227	0.4
203.03471	2.1
206.01553	1.0
211.00673	0.5
213.09070	0.7
217.04932	11.1
227.03391	2.4
229.05043	1.2
230.08458	0.9
231.02745	0.6
231.06490	0.5
241.08548	0.7
245.04427	13.8
255.02806	2.1
255.06512	0.7
267.11505	0.4
273.03964	43.8
273.07562	78.4
273.12491	2.9
274.04544	3.3
274.07886	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	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03917	0.3
54.41278	0.2
55.01882	0.2
65.03921	0.5
66.64206	0.2
67.01859	2.6
68.99775	1.9
69.03423	1.7
81.03410	0.3
83.01318	0.4
91.05472	8.5
91.51787	0.2
91.59937	0.2
95.04961	2.5
97.02863	1.3
107.04939	2.1
111.00778	0.5
119.04930	19.4
120.05257	0.3
121.02855	0.4
121.06487	0.5
123.04426	4.7
125.02335	0.3
131.04884	0.3
132.76485	0.2
139.03827	0.2
143.47388	0.2
147.04396	44.5
148.04745	0.7
151.03864	0.7
153.01813	100.0
154.02132	1.3
157.06537	0.4
169.01312	0.9
171.02876	3.2
171.04221	0.4
179.03355	1.0
181.06474	0.3
189.05420	1.4
213.05446	0.3
229.31932	0.3
230.63559	0.2
231.06511	0.4
255.06532	0.6
273.07553	60.6
274.07855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.97573	0.2
53.03936	0.4
53.88154	0.2
55.01859	0.4
65.03929	0.7
67.01861	2.7
68.99506	0.2
68.99786	1.8
69.03419	1.7
69.96060	1.2
81.03396	0.3
83.01345	0.6
86.71299	0.2
91.05470	7.9
91.06044	0.4
95.04961	2.2
97.02886	1.1
107.04948	2.0
111.00796	0.4
117.21512	0.2
119.04930	18.1
120.05244	0.3
121.02828	0.4
121.06492	0.3
122.31973	0.2
123.04419	3.3
125.02329	0.4
140.57884	0.2
147.04391	41.6
148.04689	0.6
151.03871	0.7
153.01810	100.0
154.02132	1.3
171.02875	2.4
179.03398	0.8
189.05470	0.9
231.06491	0.7
233.99931	0.2
255.06451	0.7
273.07547	62.8
274.07898	1.5
288.31876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.74115	0.3
53.20128	0.3
55.01865	0.5
56.05030	1.1
56.96557	1.1
58.99581	0.3
65.03929	0.6
67.01862	3.1
68.99783	2.9
69.03419	2.2
70.06582	0.5
70.99551	0.3
71.45612	0.6
79.05466	0.3
80.41600	0.3
81.07039	0.7
83.01323	0.4
83.04978	2.2
84.96016	0.4
85.02899	0.6
90.52605	0.3
91.05473	7.7
95.04931	2.3
97.01094	0.3
97.02884	1.3
98.09681	1.8
98.97591	0.4
105.07030	0.7
107.04958	2.4
110.09631	0.4
111.00815	0.9
111.04433	0.5
113.04225	0.8
116.01685	0.5
116.07093	0.7
119.04935	17.7
121.06478	0.9
123.04404	3.4
125.02345	0.6
129.01810	0.4
133.06435	0.4
137.02269	0.4
140.29497	0.3
147.04391	44.0
148.04742	0.6
151.03909	0.9
153.01811	100.0
154.02168	1.5
156.08403	1.3
157.06487	0.7
157.10027	0.3
161.01184	0.3
161.05984	0.6
170.11771	2.1
171.02873	6.7
171.04279	0.5
178.99908	0.3
179.03317	1.5
189.05490	1.6
197.06108	0.3
207.06508	0.4
217.04985	1.9
227.03348	0.6
231.06424	0.7
245.04428	3.2
255.02930	0.6
255.06375	0.4
273.04059	7.1
273.07535	74.5
273.12460	2.3
274.07858	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	273.0756
Annotation	Naringenin
Peak:m/z	Relative Intensity
53.03938	0.5
54.86378	0.4
55.01864	1.6
55.05513	6.4
57.03428	0.6
57.07048	0.6
63.30442	0.4
65.03945	1.2
67.05500	4.0
68.99782	4.1
69.07056	0.9
70.08486	0.4
71.04978	0.7
71.72991	0.4
77.65409	0.4
79.05460	0.8
81.07061	0.9
83.04977	41.5
83.08685	0.4
89.20516	0.4
90.91724	0.4
91.05486	3.6
93.07027	0.8
95.04975	2.7
95.08584	0.7
97.02879	0.5
99.04437	0.5
101.06016	2.9
103.05467	2.7
105.07030	4.3
107.04910	0.9
109.10068	0.4
115.05435	1.3
117.07004	0.6
119.04986	0.6
119.08582	0.7
121.02870	3.1
121.10107	0.8
123.04426	4.8
128.06219	1.5
129.07011	2.4
131.04929	11.6
131.08537	0.7
133.02837	0.8
133.10103	0.5
137.05975	0.7
141.05409	0.6
141.07008	0.7
143.08560	1.8
144.05702	0.7
145.06485	0.8
145.10129	0.6
147.04390	1.6
147.11757	0.5
149.05966	0.8
151.03914	1.5
152.06241	2.1
153.01852	2.7
153.02933	0.4
153.06981	6.7
155.08484	0.5
157.06490	7.8
159.08017	0.6
165.06999	1.3
168.03671	0.4
169.03658	0.8
169.05000	9.6
169.06459	1.3
171.04324	0.7
171.08008	2.2
171.11595	0.4
173.06017	0.6
181.06473	16.9
181.08066	0.8
182.07022	0.6
183.07928	0.5
183.50620	0.6
184.05223	0.8
185.05959	3.5
185.09592	0.5
185.13464	0.5
187.06023	32.1
187.07483	2.2
197.06007	0.6
198.06778	0.7
199.07527	8.5
209.05960	4.7
210.06679	0.8
213.05484	8.0
213.09134	0.8
226.06253	0.6
227.07025	17.2
228.07393	0.7
237.05455	2.8
241.08592	0.5
245.08040	0.8
255.06522	100.0
255.10062	5.9
256.06778	2.8
273.04367	0.5
273.07571	9.5
273.11136	8.7
273.14453	0.8
273.18375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01862	2.6
57.03433	6.0
61.02913	4.2
67.32601	0.7
68.99773	1.3
69.03422	15.3
69.50102	6.6
70.16682	0.6
71.04986	4.5
72.87466	0.7
73.02911	9.0
75.04468	0.9
77.03918	0.8
81.03411	10.0
84.96606	0.7
85.02866	3.8
87.04460	1.2
88.52383	0.6
91.05470	0.9
91.93892	0.6
92.04997	2.2
94.06569	3.2
97.02878	3.0
98.20524	1.0
99.04447	12.2
104.04974	3.3
105.03381	3.4
106.06537	1.7
110.68011	0.7
111.19748	0.6
115.03912	1.8
117.05476	8.3
118.06527	9.2
119.03481	0.9
120.04456	30.3
122.06027	12.3
123.04452	1.1
130.06509	4.0
132.04439	100.0
133.04839	1.6
134.06015	10.4
137.04721	0.8
138.05487	7.1
144.08070	2.9
146.06000	13.2
148.03937	1.4
150.05493	54.3
154.06485	2.5
156.08122	0.7
158.05997	2.7
164.07091	1.3
170.05882	1.0
170.07045	0.8
172.07565	15.7
176.07050	1.0
180.06540	1.2
184.04701	1.0
188.04250	1.9
188.80901	0.7
190.08652	3.8
198.06366	0.8
200.07048	8.8
202.05769	1.9
204.07347	1.0
216.07397	2.4
218.08113	40.1
226.05731	0.9
230.05406	1.3
236.09183	8.8
244.06976	1.7
254.05295	0.9
254.10204	18.2
272.06732	9.4
272.11258	57.6
273.11533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26925	1.1
53.03937	2.5
55.01859	2.6
57.03430	8.5
61.02923	5.4
69.03424	16.5
71.05001	5.5
71.70438	1.1
73.02911	9.3
77.03899	1.3
81.03416	10.7
84.04491	2.2
85.02884	3.9
87.04462	1.3
91.05457	2.6
92.04996	1.8
94.06549	2.4
95.04965	1.9
97.02859	3.6
99.04447	12.7
104.04981	3.8
105.03368	2.5
106.06528	2.7
117.05466	8.3
118.06539	11.1
120.04455	33.4
120.55728	1.0
122.06024	13.2
130.06502	4.4
132.04440	100.0
134.05989	9.2
138.05478	7.1
144.08066	4.3
146.05997	10.8
148.03857	1.4
150.05493	61.5
154.06474	3.3
158.05981	4.3
161.02588	1.2
172.07550	18.2
190.08646	2.4
200.07079	10.6
218.08122	41.3
236.09143	11.6
247.63429	1.1
254.10222	17.7
272.06839	5.7
272.11264	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1128
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03923	1.4
56.96560	31.1
57.03417	2.4
60.95823	1.5
61.02902	2.9
65.03949	3.8
66.25159	0.7
69.03434	7.8
70.06599	3.9
70.73686	1.5
71.04984	1.6
71.95247	1.3
73.02888	3.0
74.97583	1.3
79.05483	0.7
79.24051	0.7
80.04956	1.0
81.03400	3.7
81.04527	1.5
81.07030	2.4
83.06097	2.5
83.40518	0.8
84.96022	7.8
85.02895	15.9
86.06066	1.3
92.04993	38.7
93.05779	4.2
94.06566	7.7
95.06097	2.4
97.02869	6.8
98.97569	12.2
99.04481	1.2
102.97066	2.1
103.62086	0.9
107.04936	1.2
109.02850	2.6
110.06030	100.0
110.07125	12.6
111.06354	1.0
112.08714	1.2
112.99136	0.8
116.07055	1.3
116.78616	0.9
116.98618	11.8
117.02167	1.1
119.01826	2.8
124.08649	1.7
124.99151	1.1
127.03887	5.1
128.98590	1.8
131.00159	1.8
133.01627	1.2
133.03506	1.6
134.01263	1.0
134.05975	1.7
134.99655	12.7
135.06396	0.9
137.05995	0.9
140.05644	1.2
141.04031	1.5
143.00166	5.8
143.03368	1.0
144.98097	1.2
145.04938	2.5
146.99655	2.3
149.01192	0.9
151.05803	0.9
152.07051	4.4
153.00644	2.2
153.01796	5.5
153.07394	3.9
156.07697	2.2
158.99585	1.8
161.01213	16.6
161.02646	1.1
162.99109	1.6
163.12251	1.4
170.99622	1.1
172.94292	1.4
173.02902	1.0
174.99054	1.3
177.00653	3.8
179.02269	3.6
181.00261	1.0
182.03362	1.8
184.02815	1.4
185.01204	0.9
186.99103	2.3
188.97180	0.8
189.00679	3.4
190.95370	2.9
191.03938	4.6
191.54021	1.1
193.00201	1.7
195.02138	1.1
200.04370	1.4
205.00163	4.0
208.14449	2.3
208.96429	2.3
212.00851	0.9
219.01721	2.5
221.04993	1.0
222.15981	1.0
223.01241	5.2
226.15518	2.5
230.98105	2.9
232.96442	1.9
237.02759	2.7
240.17279	0.8
248.99115	19.0
249.02818	2.5
250.97427	2.0
254.10202	1.5
254.14935	1.7
261.02805	2.4
263.06113	1.2
266.97476	1.6
267.00165	15.5
267.03632	2.1
272.00632	2.3
272.06744	1.4
272.07938	1.0
272.11374	18.5
272.16083	12.1
272.19684	3.7
273.09418	2.0
289.95129	3.0
290.01718	1.1
291.04037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64415	1.5
53.03922	3.2
55.01850	4.7
55.05507	36.1
57.03169	2.1
57.03435	29.8
57.07063	2.9
62.91478	1.6
65.03913	3.2
65.29307	1.6
67.05501	59.4
69.06700	2.3
69.07060	32.3
71.04987	10.5
71.70679	2.8
72.95921	1.6
73.06531	1.9
79.05491	20.2
81.07052	88.8
83.04960	5.5
83.08615	24.8
85.02891	1.7
85.06535	10.3
91.04934	2.8
91.05475	30.9
93.07039	23.4
95.04936	3.5
95.08598	100.0
97.06526	16.7
97.10143	4.3
99.04429	9.1
99.08080	6.1
103.05476	3.6
105.07016	23.0
107.08592	10.1
109.06487	2.8
109.10145	15.9
111.08065	5.8
113.09651	2.1
113.60342	1.7
117.07021	1.9
119.04895	2.4
119.08572	26.9
121.10126	6.8
123.08054	6.5
127.07509	1.7
131.04907	7.2
131.08585	2.6
133.02887	1.8
133.10126	16.0
135.11694	9.7
137.05911	1.8
137.09604	4.6
137.13219	6.9
143.08513	2.0
145.10138	2.3
149.13147	2.5
153.07013	3.5
155.08514	2.5
157.10240	1.8
159.11769	2.4
161.13243	32.3
165.07013	8.4
167.03360	5.5
168.05716	2.8
173.06039	1.7
175.14810	2.2
179.14275	12.3
181.06535	2.3
182.07375	2.6
183.08069	4.7
185.04433	9.3
193.06430	2.0
196.05083	2.9
197.05933	3.3
207.04361	1.7
211.07552	9.6
225.05498	2.5
227.06856	2.0
234.10538	1.7
239.07025	7.0
253.08633	2.3
253.17908	3.2
268.92511	1.8
271.05984	21.1
271.09586	24.9
271.19012	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01854	3.5
55.05508	54.0
57.03418	4.8
57.07071	15.4
65.51581	2.7
67.05498	44.5
68.99782	5.4
69.03439	8.4
69.07063	81.4
69.93240	2.8
70.17290	14.3
71.04982	27.0
71.08623	3.6
79.05471	21.9
81.07051	68.5
83.04975	8.2
83.08615	47.9
85.06522	3.9
87.81944	2.9
91.05480	34.9
93.07027	30.2
95.08594	71.2
97.06528	12.5
97.10163	54.9
99.04449	100.0
99.05085	6.4
99.08098	6.7
100.04817	3.8
100.08936	2.8
103.05473	22.1
105.03425	5.0
105.07021	55.3
105.99103	3.0
107.08591	20.3
108.04408	3.0
109.10140	26.4
111.08069	7.1
111.11691	15.0
112.07626	11.3
115.17366	3.0
119.08560	16.6
121.10132	28.3
123.07996	3.9
123.11701	13.6
125.09643	5.7
131.04918	61.2
133.10114	22.1
135.11662	23.0
137.09633	7.5
137.13283	7.8
139.11252	6.4
141.00653	2.9
145.10078	3.4
147.11679	19.1
149.13263	6.1
151.11163	9.1
151.14844	5.7
153.02036	3.3
153.12744	9.7
155.04871	3.6
161.13264	12.3
165.07104	3.7
165.12766	8.1
167.03465	14.6
168.04219	10.2
175.14767	6.0
179.14311	7.0
183.08060	4.8
185.04443	90.4
193.04900	5.4
193.19441	4.5
211.07512	3.4
217.19481	33.3
225.09012	4.3
235.20593	24.9
243.10101	10.0
253.08632	4.4
253.21664	8.7
254.15637	7.2
271.06027	47.4
271.09656	44.9
271.12744	5.9
272.06311	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	271.1902
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03933	3.9
55.01862	3.0
55.05505	42.5
56.12681	1.1
57.03173	2.2
57.03432	30.0
57.07055	1.2
65.03922	3.7
66.28045	0.9
67.05499	59.1
69.03426	2.1
69.06706	1.9
69.07064	35.0
70.00229	2.8
70.00647	3.1
71.04984	16.3
73.06538	2.0
75.04462	1.5
79.05484	25.3
81.07047	95.2
83.04965	6.3
83.08616	22.7
85.02883	1.1
85.06538	8.6
91.04942	1.5
91.05473	24.0
93.07039	23.8
95.04942	2.1
95.08598	100.0
97.06517	16.4
97.10136	5.3
97.37953	1.0
98.21412	1.5
99.04446	18.0
99.08091	5.6
101.05985	1.4
103.05453	4.3
105.04507	1.0
105.06342	2.2
105.07016	23.5
107.08571	9.1
109.06516	3.3
109.10141	13.7
111.08052	3.4
113.09641	1.7
117.07030	1.5
119.08572	24.8
121.10126	3.9
123.08077	4.9
123.11684	1.3
125.09650	1.5
131.04909	11.6
133.10132	13.4
135.11685	9.6
137.09592	3.6
137.13257	5.9
148.45801	1.0
151.96129	1.2
161.13226	28.5
179.14282	12.1
182.07251	1.4
185.04417	13.0
196.05174	1.9
210.06883	1.3
211.07503	3.2
227.07011	1.2
239.06966	5.2
243.10077	1.7
253.17944	3.2
271.06091	3.1
271.09631	15.1
271.19025	64.7
287.05768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01859	5.7
55.05244	2.0
55.05505	37.6
57.03164	1.8
57.03432	26.0
57.07064	2.6
65.03921	2.4
67.05497	60.1
68.99777	3.2
69.03413	3.0
69.07064	32.1
69.77782	5.3
69.78203	4.3
71.04988	25.7
79.05489	25.7
81.07048	89.0
83.04956	6.3
83.08612	20.9
85.06529	12.4
91.05476	28.3
93.07035	21.3
95.04942	4.2
95.08597	100.0
97.06524	19.1
97.10160	7.4
98.21455	2.0
99.03800	2.2
99.04447	43.1
99.08076	5.4
100.07626	2.2
103.05459	11.0
105.07019	35.4
107.08586	10.6
109.06525	3.4
109.10160	16.4
111.04386	2.6
111.08063	7.6
113.09631	1.5
117.06940	1.8
119.04931	1.5
119.07758	2.0
119.08571	26.5
121.10135	5.6
123.08073	9.0
123.11721	2.3
125.09652	3.4
131.04916	30.6
131.08569	2.7
133.10126	14.9
135.08040	3.4
135.11667	8.7
137.05983	3.6
137.09601	4.2
137.13243	7.0
141.06947	2.7
143.08582	1.8
145.10097	1.9
147.11635	1.8
153.01770	2.0
153.06975	1.6
155.04895	4.1
161.13257	26.7
165.06999	3.5
167.03384	11.5
173.05983	2.2
179.14291	14.8
181.06444	1.5
181.08522	1.9
183.08102	3.1
185.04431	35.3
193.12218	2.7
197.05951	1.5
197.15384	3.0
201.05428	2.5
211.07513	2.7
218.17705	1.3
225.05350	1.5
229.04982	1.8
239.06891	1.7
243.10246	4.5
253.08562	1.9
253.17953	2.7
271.06021	32.8
271.09647	27.0
271.12570	2.5
271.19034	52.5
271.23703	2.1
272.06250	1.8
272.10034	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01855	3.4
55.05508	41.7
57.03178	1.7
57.03437	26.4
57.07068	2.8
65.03938	2.7
67.05502	64.9
68.99771	3.2
69.03419	2.8
69.06705	2.6
69.07066	36.4
69.54989	5.0
69.55412	8.6
71.04996	12.6
71.08617	1.7
79.05489	26.1
81.07056	84.4
83.04963	6.5
83.08614	22.2
85.06548	10.5
86.55669	1.6
91.05477	21.7
93.07041	27.6
95.04956	5.7
95.08604	100.0
97.06522	16.0
97.10159	8.3
99.08084	6.4
103.05431	4.3
105.07028	18.6
107.04944	2.2
107.08588	7.1
109.06512	3.5
109.10155	14.1
111.08074	5.1
117.07062	2.1
119.08583	21.2
121.10155	5.3
123.04464	1.9
123.08061	6.1
123.11663	1.5
131.04895	3.7
133.10135	17.4
135.11694	10.6
137.09653	3.0
137.13255	6.9
149.13208	1.7
151.03908	36.8
153.01874	2.0
161.13255	26.7
165.06947	3.2
167.03392	38.3
169.06529	1.9
173.06039	1.9
179.14288	12.2
183.08057	1.9
196.05150	2.0
197.06023	5.1
211.07515	3.7
229.04875	3.1
253.18076	2.4
271.05972	27.4
271.09595	19.5
271.19034	63.4
272.06335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	Pinostrobin chalcone
Peak:m/z	Relative Intensity
52.46921	0.4
55.01866	2.0
65.03937	2.7
67.01869	0.7
67.05476	0.4
68.99754	0.8
71.16507	0.6
71.16856	0.8
79.05499	0.7
80.01803	0.3
81.07030	0.4
81.51727	0.4
83.01337	2.4
83.04987	0.5
90.86340	0.3
91.05473	100.0
92.05813	1.2
94.02494	0.4
94.11081	0.4
95.08624	0.6
103.05456	0.4
105.03361	0.5
105.07019	2.9
108.71355	0.4
111.04431	0.9
112.50498	0.5
115.05448	0.9
127.03878	0.4
131.04930	0.4
139.03894	18.6
141.07013	0.7
153.92555	0.4
154.07845	0.5
155.03365	2.2
167.03397	8.2
168.52542	0.4
169.06485	0.8
179.03375	3.2
179.08534	1.4
180.04155	6.2
182.07228	0.6
185.04436	2.4
193.04990	1.8
197.09596	1.4
207.07997	0.5
210.06802	0.4
225.09081	2.9
243.06404	1.0
243.10104	0.6
253.08589	7.5
254.08727	0.4
271.06128	1.3
271.09613	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	271.0963
Annotation	Flemichapparin
Peak:m/z	Relative Intensity
53.03931	1.0
54.00248	0.7
55.05506	8.0
57.03432	5.7
57.07048	0.7
67.05499	9.6
68.43086	0.8
68.99776	1.2
69.03416	3.0
69.07071	3.5
69.61301	6.3
71.04987	21.5
79.05491	4.7
81.07045	13.1
81.43414	0.8
83.04980	1.2
83.08602	3.8
85.06530	1.3
91.05487	3.9
93.07018	4.0
95.04956	1.5
95.08597	14.9
97.06528	2.7
99.04446	100.0
100.04783	1.1
103.05457	18.3
103.06123	1.4
104.05769	0.6
105.07022	44.2
107.08612	2.1
109.06483	0.7
109.10144	3.3
111.04403	1.2
119.08608	3.9
121.10140	1.4
123.08041	0.9
131.04915	60.3
132.05232	1.1
133.10101	2.1
135.11696	1.5
137.09590	1.0
139.03876	1.7
153.52095	0.6
155.03798	0.7
155.04869	3.9
161.13214	5.0
165.06982	1.3
167.03410	1.0
173.05984	2.4
176.91029	0.7
179.14308	1.5
182.07268	0.7
185.04442	82.5
196.05261	0.8
197.09604	1.6
201.09250	1.0
211.07549	1.2
225.09116	2.5
239.07021	1.2
243.10185	10.9
253.08644	3.3
271.06107	5.8
271.09686	28.3
271.19046	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	271.0962
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
55.01854	0.7
57.03863	0.3
58.38739	0.2
61.42484	0.3
65.03903	0.4
67.01842	0.2
68.99777	1.7
69.58022	2.3
81.03400	0.6
91.05477	0.8
93.03409	0.3
95.04972	0.4
97.02901	0.5
99.04436	0.3
103.05455	3.9
111.04416	1.0
122.19402	0.2
124.01543	2.5
131.04916	8.0
137.02271	0.4
137.06024	0.3
140.19344	0.3
152.01041	3.2
167.03381	100.0
168.03737	1.4
170.02109	3.2
229.08620	1.0
255.51512	0.3
268.01938	0.3
271.09622	24.2
272.10028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05502	0.7
59.62366	0.3
65.03938	0.4
67.01854	0.3
68.99819	0.5
69.03421	0.6
70.95039	0.3
70.95394	1.0
77.03912	0.4
79.05477	2.6
81.03413	0.8
83.01346	1.4
83.04961	2.2
91.05473	3.2
95.04958	0.5
97.02896	0.5
99.32835	0.4
102.04683	0.3
103.05461	29.2
105.03360	0.9
105.06982	0.6
107.04964	1.9
109.06484	0.6
111.04451	0.4
125.02302	0.4
131.04916	50.3
132.05258	1.1
137.05937	1.7
139.03889	0.5
145.06462	0.6
165.01752	0.5
165.05515	2.2
166.27783	0.3
167.03386	100.0
168.03683	1.7
173.05966	1.6
180.04074	0.4
185.04434	2.4
191.07077	0.4
193.04950	0.9
229.08597	1.2
239.44995	0.4
253.08551	1.1
271.09625	94.0
272.09985	3.0
284.22867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.03938	1.2
55.05506	0.8
69.58307	5.0
71.21333	0.6
76.95083	0.6
79.05482	2.2
83.01322	1.8
83.04976	2.9
91.05457	3.1
95.04967	1.2
97.02845	0.6
103.05458	26.6
105.03358	0.7
107.04934	2.7
111.04427	1.1
112.96099	0.7
117.07098	0.6
125.02297	0.6
131.04915	49.2
137.05995	0.8
155.80031	0.7
165.05458	1.7
167.03384	100.0
168.03720	1.3
173.05936	2.0
185.04451	3.5
191.06941	1.0
193.05064	0.8
203.66261	0.6
271.09628	70.6
272.09845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.03926	0.2
55.01852	0.7
55.05509	0.5
62.57404	0.2
64.05865	0.2
65.03921	0.3
67.01881	0.3
67.05490	0.5
68.99775	2.1
69.03427	0.3
69.07039	0.4
70.78693	0.4
71.04974	0.4
79.05499	0.9
81.03406	0.5
81.07040	0.6
83.01325	0.4
83.04966	0.5
85.06600	0.2
91.05473	1.8
93.03416	0.2
93.07017	0.5
95.04965	0.4
95.08588	0.4
97.02866	0.5
99.04455	1.2
103.05454	6.7
105.03346	0.3
105.07008	0.7
106.26328	0.2
107.04943	0.6
107.08574	0.4
109.10124	0.5
111.04438	1.2
117.06948	0.2
119.04912	0.2
121.33760	0.2
124.01553	2.0
127.03943	0.3
131.04915	11.4
133.10106	0.6
137.02313	0.5
137.05998	0.3
139.03908	0.7
143.08588	0.2
151.11227	0.2
152.01039	2.0
165.05423	0.5
167.03383	100.0
168.03728	1.5
170.02101	3.1
173.05936	0.2
185.04440	2.9
187.50426	0.2
196.05119	0.2
196.29680	0.2
211.07501	0.5
229.08649	1.0
231.14290	0.2
239.07091	0.4
243.09935	0.2
248.01062	0.2
251.22437	0.2
253.08661	0.4
271.09625	50.8
272.09952	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	271.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01870	2.2
55.05514	0.9
65.03938	1.0
67.01859	0.5
67.05159	0.2
67.05500	2.8
68.99786	9.1
69.03420	0.3
70.98914	0.4
71.04981	0.7
77.09383	0.1
81.03408	2.8
95.04961	1.0
98.21352	0.2
99.04462	0.7
105.07024	3.1
111.04411	0.4
112.98685	0.8
114.14490	0.1
121.02830	0.5
130.99741	0.7
131.04889	0.2
139.03899	0.1
147.02628	0.1
163.88916	0.1
167.03363	2.1
168.10222	0.1
173.06000	0.1
185.04443	100.0
186.04805	1.3
187.04878	0.2
202.07071	0.2
204.63861	0.1
229.08591	1.1
253.08691	0.3
255.12149	0.2
271.09653	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	271.0962
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
51.91155	0.3
53.03935	0.3
53.25694	0.3
55.01858	1.5
55.05526	0.4
65.03925	0.6
67.05486	1.4
68.99782	3.4
70.42072	1.3
70.42424	0.4
71.04996	0.4
79.05505	0.4
79.30169	0.4
81.03419	1.4
81.07030	0.5
84.56113	0.3
91.05495	2.0
91.05964	0.4
91.36983	0.3
95.04961	0.4
95.08560	0.5
97.02882	0.5
98.21443	0.4
99.04464	0.9
103.05457	5.2
105.07021	1.1
107.04935	0.5
111.04448	0.7
115.96800	0.3
124.01564	2.1
127.08968	0.4
131.04922	10.1
137.02321	0.5
139.03903	0.5
152.01041	2.9
156.86139	0.3
167.03384	100.0
168.03732	1.4
170.02100	3.6
185.04440	22.5
229.08522	1.6
271.06329	1.0
271.09616	27.5
272.09827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Flemichapparin
Peak:m/z	Relative Intensity
51.02372	0.3
53.03944	1.6
54.37234	0.2
55.01863	1.5
55.05290	0.2
55.05510	1.7
57.03418	0.3
61.04279	0.2
65.03925	0.9
67.01849	0.2
67.05493	2.9
68.99411	0.4
68.99782	7.2
69.03402	1.6
69.07053	0.3
69.14471	0.2
70.04195	0.6
71.04981	6.1
79.05470	0.3
81.03407	2.1
81.07048	0.9
83.01329	0.5
83.04977	0.5
83.08618	0.3
91.05473	2.4
93.03389	0.3
93.07047	0.5
95.04968	1.3
95.08591	0.6
97.02847	0.3
97.06507	0.3
99.04446	29.2
103.05453	5.0
105.03359	0.4
105.07021	14.2
107.01276	0.2
109.10123	0.5
111.04409	0.8
112.05250	0.5
121.02859	0.5
121.10152	0.3
122.40065	0.2
130.99757	0.4
131.04915	16.9
132.05261	0.3
133.10056	0.5
139.03828	0.7
141.07040	0.2
153.01816	1.6
155.04854	1.1
157.04947	0.3
161.13316	0.3
165.06955	0.6
167.03333	1.8
169.06496	0.3
171.02840	0.3
173.05946	0.7
179.08429	0.3
182.07242	0.4
183.08058	0.5
185.04437	100.0
186.05051	2.1
197.09584	0.6
201.09074	0.3
211.07559	0.5
225.09085	0.9
226.09866	0.4
229.08578	1.0
230.09303	0.2
243.10144	4.0
244.10794	0.6
253.08615	1.1
271.06042	3.4
271.09616	12.1
271.18973	0.3
272.10068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
53.17818	0.4
53.55097	0.5
55.01866	2.6
55.05500	1.9
57.03431	2.5
57.07080	2.5
65.03907	0.7
67.05491	1.9
68.99797	1.1
69.03410	1.2
69.07050	1.2
71.04975	2.5
73.02880	0.7
77.03899	0.6
79.05488	3.9
81.03380	1.1
81.07058	2.8
82.26681	0.5
83.01324	1.3
83.04976	2.8
83.08590	0.6
91.05481	5.9
92.99345	0.5
93.07023	0.8
95.04945	1.3
95.08586	2.1
97.02905	0.8
98.21478	1.0
99.04439	5.7
103.05457	27.2
105.03368	0.7
105.07027	3.9
107.04946	2.1
109.06533	0.6
109.10134	1.3
111.04394	1.6
121.10120	0.6
123.00748	1.3
124.04897	0.5
129.05464	7.0
131.04918	50.7
131.08537	0.8
132.05225	0.7
137.05992	1.2
139.03859	0.9
145.06445	1.2
145.10103	0.6
146.70877	0.4
153.01846	0.8
155.04918	0.5
157.10103	0.6
161.13223	0.8
165.01865	0.7
165.05444	2.1
165.06998	1.5
167.03386	100.0
168.03728	1.2
169.15898	3.4
173.05965	1.7
179.08572	0.5
180.04169	0.5
183.07957	1.0
185.04440	11.4
185.09644	0.6
191.07072	0.7
197.15453	0.7
201.09032	0.6
211.07591	0.7
215.07043	0.4
225.09143	0.6
229.08632	1.2
243.10208	1.0
253.08699	0.6
271.06061	12.2
271.09610	75.5
271.18939	3.5
272.09937	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01864	1.1
61.99080	0.6
65.03931	2.7
67.01867	1.1
68.99780	8.7
69.03418	0.8
71.29204	1.4
81.07037	1.2
87.72041	0.6
88.58486	0.6
91.05476	11.1
93.22115	0.6
95.01312	1.6
95.61933	0.6
97.62703	0.6
103.05512	1.0
107.04945	7.5
111.00792	1.6
111.04408	0.8
115.05457	2.3
117.07012	1.1
119.04949	5.5
121.02863	17.4
128.06212	1.1
129.07014	1.7
131.04909	3.1
131.08568	1.7
141.06985	8.0
144.05681	1.7
145.02866	2.2
145.06517	3.2
147.04396	4.2
147.08073	3.2
149.02333	91.2
150.02863	1.1
151.03877	0.9
152.06229	1.6
153.01825	23.2
153.06992	1.8
155.04900	1.5
157.06458	1.6
159.04353	3.2
159.08040	1.8
165.01825	1.5
167.03413	1.9
169.06473	14.1
169.07582	0.7
173.06000	4.0
181.06482	2.6
183.04456	0.7
183.08180	0.8
185.05962	1.8
187.03929	3.1
187.07510	3.8
197.05980	15.3
198.06680	0.9
199.07460	1.0
200.04764	1.0
201.05450	2.0
203.03874	0.7
203.06987	0.8
213.05412	1.5
215.07019	100.0
216.07376	1.9
225.05438	4.0
227.07222	1.1
229.04965	2.1
243.06523	84.8
244.06743	1.3
253.04997	4.9
271.05997	84.5
272.06357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
55.01854	0.9
55.05503	0.5
56.96558	0.5
57.07061	0.6
61.78246	0.4
64.50739	0.3
68.99784	16.5
69.07039	1.0
71.04643	0.7
71.04980	0.8
81.03374	0.4
83.08532	0.4
85.02880	0.8
87.14431	0.3
91.05471	0.8
93.07059	0.6
95.08577	0.5
103.05466	0.7
105.06992	0.5
107.04949	0.5
109.10095	0.5
111.00807	1.8
115.05436	1.2
117.06967	0.4
119.04883	0.5
119.08540	0.5
121.02863	1.0
127.11207	0.4
129.07007	2.1
131.04895	1.2
137.02303	0.6
137.05956	1.0
139.03865	0.7
139.56851	0.4
141.06973	3.6
145.06441	1.8
147.04362	0.7
151.03914	0.7
153.01816	0.7
153.06972	0.8
155.04900	4.1
157.06480	3.2
159.04413	1.4
160.05043	0.4
161.05965	0.6
167.04828	0.4
169.06479	4.0
173.05975	14.9
173.07497	0.7
175.07510	1.6
179.04930	0.4
181.04953	0.4
183.04381	4.0
185.05962	2.6
187.03853	4.1
187.05212	0.4
187.07518	0.7
197.05988	9.5
200.04773	0.6
201.05452	14.1
203.07031	6.6
211.03920	0.8
215.07089	2.3
224.04579	0.4
225.05434	9.1
226.06174	0.9
229.04941	16.6
243.06534	4.0
243.62672	0.4
253.04922	7.1
254.05734	0.6
270.27805	0.6
271.05988	100.0
272.06268	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	271.0598
Annotation	Baicalein
Peak:m/z	Relative Intensity
68.99776	0.5
69.85957	0.3
69.86365	0.9
72.11060	0.2
74.42447	0.2
75.95844	0.2
81.07047	0.5
91.05480	1.0
95.01324	2.7
95.04919	0.3
95.08595	0.3
98.21463	0.3
99.04467	0.3
103.05455	4.5
105.03374	2.0
105.06989	0.4
107.08553	0.2
115.05443	0.4
121.10110	0.2
123.00780	14.5
123.87422	0.2
131.04919	0.6
135.20731	0.2
141.01825	2.2
141.06970	0.8
151.00226	0.7
153.06897	0.2
167.03375	0.6
169.01305	3.6
169.06467	0.2
179.04845	0.3
185.04414	0.4
197.05956	0.5
207.04416	0.3
225.05449	1.8
229.05058	1.0
253.04927	4.4
270.05322	0.3
271.05991	100.0
272.06320	1.9
274.57108	0.2
290.83731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17649	1.4
53.03936	3.0
54.96564	1.6
55.01856	1.6
55.05505	20.4
57.03172	1.7
57.03435	21.9
57.07064	3.5
65.03916	2.2
66.74652	1.4
67.01853	1.9
67.05500	83.5
69.07064	23.1
70.50814	3.8
70.51170	2.8
71.04987	4.6
79.05038	2.5
79.05489	41.3
81.03412	1.6
81.07050	100.0
83.04976	6.5
83.08604	21.0
85.06535	7.3
91.05476	25.5
93.07037	47.9
95.04961	4.7
95.08599	57.3
95.09509	1.6
97.06513	14.1
97.10150	3.8
99.08118	2.5
105.07003	9.5
107.08588	31.4
109.06506	4.2
109.10149	22.1
111.08070	11.9
117.07017	4.3
117.89606	1.3
119.08598	7.0
121.10137	24.2
123.11681	9.2
131.08588	6.5
133.10127	20.0
135.08049	1.5
135.11687	15.9
137.09612	3.2
137.13287	2.7
139.11211	1.7
145.10127	3.4
147.11664	3.9
149.13248	30.5
149.14342	2.8
151.11182	6.2
159.11693	14.1
169.12296	1.8
173.13330	1.5
177.12738	5.9
183.06516	12.5
187.14774	2.7
194.64888	1.3
195.13780	7.8
195.63637	1.2
215.17920	10.6
233.18968	6.3
251.20050	13.1
269.08087	2.7
269.11746	1.7
269.17395	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	269.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.05507	16.1
57.03436	12.6
57.07065	5.5
65.03934	1.6
67.01856	4.4
67.05498	75.1
69.07059	21.3
71.04981	5.5
71.08617	2.3
71.72736	1.4
72.76662	1.3
79.05490	34.8
81.03437	2.0
81.07051	100.0
83.04980	4.6
83.08617	14.1
85.06536	3.6
91.05473	20.0
93.07037	41.8
95.04962	4.6
95.08598	62.3
96.08936	1.8
97.06520	14.6
97.10159	4.8
99.08108	2.6
105.07030	12.5
107.08585	24.5
109.06495	4.4
109.10142	29.3
111.08078	7.8
117.07014	4.4
119.05016	1.3
119.08566	10.9
120.16826	1.6
121.10139	26.3
123.08072	1.8
123.11672	11.4
131.08562	7.3
133.10123	22.3
135.08084	3.0
135.11679	18.6
137.09608	2.6
137.13266	3.1
139.11168	2.4
145.10132	4.1
147.11671	6.0
149.13254	19.2
151.11127	6.8
155.10544	1.8
156.95372	1.4
159.11665	9.2
165.05565	2.0
173.13161	3.2
177.12762	3.1
179.45403	1.3
181.12231	1.8
183.06508	22.7
187.14871	2.6
195.13780	9.1
215.17920	14.1
233.19031	7.7
237.14909	2.9
251.20074	17.3
269.08081	16.4
269.11047	2.6
269.17172	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.8
55.01842	3.2
55.05505	20.1
57.03431	36.6
57.07065	5.6
62.35666	1.0
65.03924	2.5
67.01853	1.3
67.05495	73.3
69.03422	1.4
69.06702	2.0
69.07059	31.3
69.07433	2.2
69.88461	7.5
71.01342	1.2
71.04971	6.4
71.08625	1.3
73.02911	1.4
73.40178	1.0
79.05482	46.2
80.05803	1.2
81.03419	1.2
81.07047	100.0
83.04977	10.2
83.08613	19.8
85.06519	4.6
85.10294	1.1
91.05468	21.0
93.07033	74.7
95.04931	6.0
95.08024	1.6
95.08592	25.0
97.06516	14.8
97.10149	2.2
99.08084	3.8
105.07018	7.6
107.04903	1.4
107.08582	36.4
109.06479	3.7
109.10120	3.3
111.08066	9.3
113.09645	1.5
117.07025	7.6
119.08552	3.9
121.06533	2.0
121.10127	23.9
123.08041	4.6
123.11701	2.8
127.07560	1.3
131.08560	9.6
133.10135	8.1
135.08031	5.0
135.11676	9.9
139.07463	1.7
139.11124	1.8
147.11612	2.2
149.13243	47.8
151.07608	1.2
159.11687	20.0
165.01874	1.3
167.14299	1.3
177.12759	9.3
181.08546	3.0
183.02809	1.9
183.06499	2.7
195.13820	14.4
209.11653	2.3
269.04492	1.3
269.08057	3.5
269.15228	1.6
269.17422	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.1
54.33907	1.0
54.87836	1.1
55.01857	3.9
55.05505	22.0
57.03432	30.4
57.07047	4.7
61.12029	1.0
65.03928	2.2
67.01848	4.0
67.05500	74.9
68.05791	1.0
69.06709	1.3
69.07064	26.9
69.40716	0.9
70.07227	5.5
71.01292	1.2
71.04981	6.7
77.12141	0.9
79.05489	43.8
81.03402	1.2
81.07051	100.0
83.04974	9.9
83.08189	1.2
83.08618	18.0
84.69690	1.0
85.06519	4.8
91.04953	1.7
91.05476	25.0
93.07037	63.4
95.04967	5.1
95.08603	22.8
97.06529	13.1
97.10146	2.0
98.21415	1.6
99.08058	3.8
105.07025	9.6
107.08586	32.6
109.06517	5.0
109.10126	4.4
111.08061	8.3
111.11686	1.3
117.07021	8.4
119.08564	3.7
121.06481	2.0
121.10133	19.7
123.11690	4.3
131.08546	7.6
133.10115	12.6
135.08026	2.3
135.11694	10.1
137.05884	1.7
139.11142	1.2
143.46251	1.0
144.51259	1.1
149.09642	1.1
149.13248	39.3
150.13588	1.1
159.11664	17.4
165.05441	1.1
167.14380	1.3
177.12770	6.1
183.05046	1.3
183.06552	17.9
195.13795	15.8
196.14085	1.3
213.14899	1.5
230.70010	1.0
243.03935	0.9
269.07996	6.0
269.11340	2.6
269.17404	38.6
269.26666	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03923	2.9
53.79537	1.1
55.01860	2.9
55.05285	1.4
55.05506	17.5
56.81895	1.1
57.03176	2.4
57.03434	38.2
57.07054	5.1
58.50910	1.1
65.03922	2.2
67.05499	73.3
69.06702	2.1
69.07059	29.6
71.04970	5.0
71.28871	3.2
73.02924	1.5
73.78134	1.1
79.05037	2.9
79.05483	49.1
81.03391	1.7
81.07047	100.0
82.07379	1.7
83.04975	8.7
83.08608	15.9
85.06534	5.4
91.05476	22.9
93.07039	71.1
93.17395	1.3
95.04986	6.6
95.08598	24.7
97.06528	20.1
97.10157	2.0
99.08060	4.5
105.07018	9.2
107.08582	35.8
109.06478	3.7
109.10125	3.4
109.26950	1.3
111.08058	10.0
113.06030	1.7
113.09642	1.4
117.07021	8.7
119.08498	1.4
121.06466	2.0
121.10128	25.4
123.11694	2.4
131.08580	9.5
133.10114	7.8
135.08009	2.4
135.11702	9.8
139.11174	3.1
147.11678	1.9
149.09618	1.6
149.13246	49.1
150.13533	1.9
159.11702	21.3
167.14162	1.4
177.12735	9.8
195.13788	13.0
269.17432	43.8
270.17847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	3.4
55.01880	2.8
55.05280	1.9
55.05507	19.0
55.16364	1.5
57.03166	2.6
57.03431	37.5
57.07063	4.3
64.18097	1.5
67.05499	78.2
69.07062	30.4
70.83709	2.2
70.84052	3.4
71.04979	7.0
79.05034	3.4
79.05489	49.4
81.07048	100.0
83.04976	11.7
83.08607	18.0
85.06523	5.2
91.05472	23.2
93.07035	72.8
95.04967	7.5
95.08601	28.8
96.09701	2.1
97.06526	15.7
97.10184	2.4
99.08116	2.4
104.15493	1.6
105.06994	8.6
106.00217	1.7
107.08583	40.5
109.06512	5.5
109.10154	4.0
111.08062	10.0
113.05980	1.8
117.06992	8.8
119.08531	2.1
121.10135	26.2
123.11678	3.3
131.08542	9.1
133.10110	8.7
135.08104	2.2
135.11690	8.8
147.11662	2.9
149.13246	47.6
159.11707	19.5
167.14227	2.4
177.12698	8.6
195.13803	11.8
256.84479	1.8
269.17453	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03921	4.1
55.01855	2.8
55.05511	18.0
57.03433	34.8
57.07057	4.3
65.03922	2.7
67.01840	4.2
67.05500	71.5
69.06716	1.4
69.07062	27.1
70.74586	1.9
70.74945	2.7
71.01334	1.1
71.04990	5.9
79.05489	44.1
79.76099	1.2
81.03406	2.7
81.07051	100.0
83.04986	9.9
83.08613	18.0
85.06542	6.4
91.04948	1.4
91.05476	22.4
93.07037	66.2
95.04973	5.4
95.08606	22.9
97.06512	14.0
97.10118	3.1
99.08075	4.4
105.07030	6.2
105.78168	1.1
107.08587	34.7
109.06493	4.7
109.10121	3.1
111.08065	8.5
111.09310	1.1
111.11674	1.2
117.07020	7.0
119.08538	2.2
121.06548	1.4
121.09274	1.6
121.10133	22.4
123.11637	1.8
131.08568	9.1
133.10124	9.5
135.08022	2.8
135.11679	9.2
137.05916	1.5
139.07500	1.1
139.11133	2.9
147.11626	1.2
149.13251	43.4
150.13565	1.2
159.11687	17.1
162.81895	1.1
167.14337	1.3
177.12720	8.3
183.06534	21.1
195.13783	11.5
196.67101	1.1
197.61383	1.1
213.14841	1.8
220.49458	0.9
238.16586	1.0
269.08038	2.3
269.17453	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	2.0
55.01867	3.7
55.05504	17.0
57.03432	36.3
57.07077	2.1
67.05498	93.5
69.07059	34.8
69.68951	13.0
71.01327	1.7
71.04980	8.6
79.05485	42.1
81.03413	3.1
81.07049	100.0
83.04967	10.2
83.08613	24.1
85.06539	5.5
91.05468	21.4
93.07034	83.9
95.04973	7.4
95.08595	29.4
97.06522	17.9
99.08087	4.6
105.07022	6.2
107.08582	42.8
109.06474	2.2
109.10126	4.7
111.08069	13.1
111.11708	2.1
117.07027	10.2
119.08596	2.3
121.10127	27.7
123.11700	3.1
131.08553	11.2
133.10146	8.9
135.08069	3.5
135.11671	11.6
139.11169	3.3
144.75085	2.0
149.13251	63.5
159.11687	22.7
161.79753	1.8
177.12769	11.7
195.13770	14.6
263.25320	1.8
269.17441	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	5.4
54.30466	1.7
55.01863	4.1
55.05509	21.7
57.03163	2.6
57.03430	36.7
57.07056	5.4
67.05496	80.7
69.07059	32.0
71.04987	6.0
74.78239	1.9
79.05482	43.2
79.39397	1.7
81.07047	100.0
83.04969	9.6
83.08614	18.1
85.06538	6.7
91.05465	23.3
93.07037	76.4
95.04945	5.7
95.08584	21.6
97.06504	13.4
97.10169	3.3
97.57188	1.7
98.21430	6.7
99.08060	2.6
105.07019	6.2
107.08588	39.8
109.06513	4.3
109.10130	4.2
111.08112	10.4
117.07025	8.8
119.08562	3.5
121.10117	22.9
131.08559	8.4
133.10101	6.8
135.11716	10.0
149.13239	44.3
159.11711	15.9
167.14322	2.0
177.12695	9.6
183.06549	4.0
195.13776	11.5
269.17456	34.1
269.20126	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.8
54.53513	2.1
54.87857	2.0
55.01868	2.8
55.05505	22.4
57.03432	31.7
57.07061	5.3
60.59803	1.8
61.13440	1.7
65.03937	2.4
67.01852	4.5
67.05497	75.5
69.07056	25.4
70.39621	3.0
70.40000	3.7
71.04985	4.5
71.08618	3.6
79.05488	46.0
81.03416	4.7
81.07053	100.0
82.03738	2.2
82.93819	1.7
83.01328	2.4
83.04980	12.0
83.08612	13.3
87.55299	1.8
88.07619	3.3
91.05475	25.8
93.07037	66.2
95.04949	8.8
95.08600	20.2
97.06531	15.9
97.10143	3.2
99.08070	2.4
105.03386	17.0
105.07014	10.9
107.08587	36.4
109.06511	3.6
109.10133	4.9
111.08095	10.0
115.05421	2.0
117.07004	9.8
119.08548	3.4
121.10149	22.4
125.05946	3.1
129.06921	2.1
131.08585	9.5
133.10100	7.1
135.08008	3.1
135.11693	11.8
139.00259	3.0
147.11694	2.4
149.13257	47.8
151.11060	2.5
157.01326	2.7
159.11693	21.3
163.07555	5.3
167.14281	1.9
171.08083	2.1
177.12741	7.6
183.06522	12.0
185.09625	3.3
191.07007	15.0
195.11905	2.5
195.13792	11.4
212.21371	2.1
213.12721	3.2
223.11058	2.2
227.10330	2.1
241.12309	10.0
251.10646	4.6
254.09311	3.5
269.08258	3.9
269.11676	33.3
269.17426	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05499	1.7
57.03434	2.2
57.90502	0.4
60.77198	0.4
65.03918	0.5
67.01861	22.2
67.05505	5.8
68.32522	0.4
69.07063	3.3
74.87206	0.5
79.05036	0.9
79.05489	14.9
81.07052	61.6
83.04995	0.6
83.08606	1.1
85.06516	0.5
91.05486	3.9
92.48630	0.4
93.07030	6.2
94.04196	0.5
94.62746	0.5
95.04956	1.0
95.08617	1.8
97.06542	2.2
98.21514	1.1
104.94002	0.4
105.07027	0.9
107.08586	2.9
109.06518	7.1
111.08095	1.0
117.06995	1.0
119.04952	2.2
121.10136	1.5
128.97995	0.5
131.08537	1.1
133.10060	0.5
135.11642	1.3
137.05972	6.8
143.86731	0.4
147.04320	0.7
149.13232	3.6
153.06961	1.5
155.07005	1.4
159.11685	1.2
165.05443	3.4
180.78720	0.5
183.06520	100.0
184.06839	1.6
193.27248	0.5
195.13766	1.2
216.00940	0.4
224.09117	0.5
238.81720	0.6
240.99699	0.5
251.10594	1.3
269.11725	10.3
269.17398	2.9
289.80682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05492	1.5
57.07076	0.6
57.63709	0.5
63.82581	0.5
67.01862	22.7
67.05495	2.9
69.07064	3.1
69.47334	1.0
69.47747	4.8
79.05487	12.4
81.03484	0.6
81.07050	53.9
83.08617	0.9
89.87608	0.5
91.05478	3.6
93.07028	2.7
95.04949	1.2
95.08595	1.6
97.06541	3.0
105.03385	1.3
105.06993	0.7
107.08575	1.5
109.05844	0.7
109.06512	6.7
117.07003	0.6
119.04935	3.2
121.10120	0.8
123.04433	0.7
131.08604	0.6
133.10120	1.1
137.05940	8.0
143.03322	0.5
147.04449	0.5
147.63809	0.5
149.13225	1.0
151.10043	0.5
153.06960	1.9
155.07063	1.1
159.11679	1.6
165.05473	4.2
183.06522	100.0
184.06898	0.7
191.07120	0.8
195.11830	0.6
212.04584	0.5
213.16377	0.7
228.23210	0.8
243.59717	0.5
251.10503	2.7
259.83121	0.6
269.08179	1.8
269.11710	8.9
269.17453	1.1
269.22552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01859	0.2
57.03419	0.5
60.47202	0.1
61.09879	0.1
69.03407	0.2
71.01331	0.2
71.42730	0.2
73.02889	0.2
85.02924	0.3
86.01369	0.1
88.32743	0.1
94.04033	0.4
119.03512	0.9
127.17700	0.1
133.04872	0.2
136.06171	100.0
137.04561	0.5
137.05525	0.2
137.06622	0.9
145.71519	0.1
268.10385	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	268.9823
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46416	2.7
70.46834	4.5
76.73380	1.5
79.27705	2.0
136.93991	4.7
160.32858	1.5
162.95590	2.5
189.08470	1.5
268.98239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01853	0.3
57.03422	0.6
62.81861	0.2
65.69340	0.2
69.03425	0.4
70.10736	0.9
73.02898	0.2
85.02888	0.6
94.04049	0.4
115.03873	0.2
119.03545	0.9
133.04970	0.3
136.06169	100.0
137.04539	0.4
137.06615	0.8
154.46695	0.2
158.11459	0.2
164.71651	0.2
164.74963	0.2
268.10388	5.4
268.98312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94627	0.2
60.04523	1.4
63.08578	0.2
65.03933	3.8
69.03423	0.2
70.02947	3.2
88.03983	11.1
93.03384	1.6
102.05534	17.5
106.60933	0.3
107.04951	0.2
111.04436	1.3
121.02856	100.0
122.03195	0.8
127.45509	0.2
130.04977	0.5
133.02681	0.2
133.77292	0.2
136.06169	3.3
148.06033	20.1
208.06052	0.9
222.07590	2.1
236.05589	1.0
250.07124	0.6
268.07925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01872	1.2
55.53942	0.6
56.96561	37.5
57.03427	1.8
61.02917	1.9
62.02159	0.6
69.03429	5.0
70.03775	0.6
70.06578	0.7
70.97679	0.5
71.01348	0.6
71.04983	2.1
71.08633	0.6
71.46123	1.1
71.95253	0.7
73.02916	1.7
74.97612	1.1
79.01869	0.6
81.03409	2.4
84.04476	0.7
85.02898	10.1
86.03215	1.4
86.09679	0.6
87.04468	0.5
88.03986	1.7
91.03957	0.9
91.53573	0.6
94.04036	0.6
95.08591	0.6
97.02887	5.4
98.03204	0.9
98.97578	3.3
99.04474	0.7
107.04948	1.0
109.02882	0.9
110.97578	0.7
116.98591	2.9
119.01838	1.3
119.03578	0.6
124.99102	0.7
127.03893	3.0
128.98598	1.6
134.99716	1.3
136.06175	100.0
137.04553	0.8
139.03853	0.9
143.00154	1.2
145.04971	1.3
146.99651	1.8
151.21568	0.6
152.05627	0.7
153.01822	7.3
158.99629	1.2
160.00322	0.6
161.01253	0.8
164.98647	3.0
168.98074	0.6
170.99585	0.8
173.01262	0.5
173.02927	1.5
173.91869	0.6
174.99020	0.8
175.02788	0.8
177.00697	1.1
178.07280	1.0
182.99670	7.1
185.02910	1.2
186.99098	3.3
195.53902	1.5
196.97455	2.5
198.99149	0.9
201.00696	15.5
203.04123	0.8
205.00128	0.8
208.97601	1.8
211.00800	1.6
214.98668	3.7
219.01743	7.6
220.02089	1.0
226.98473	4.2
229.01910	1.0
232.99583	1.5
237.02802	2.7
242.03096	0.7
244.99673	56.6
246.00072	1.0
250.00194	1.0
253.01976	0.9
259.01215	0.7
261.99887	0.6
263.00726	82.3
264.01099	0.9
265.01208	0.8
268.01218	7.9
268.10306	7.9
268.16553	1.2
271.03006	3.1
281.01752	2.3
286.02222	6.4
287.05478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03934	5.3
55.01872	5.2
55.05504	13.3
57.03425	26.1
57.07057	4.4
67.05499	18.7
69.03416	3.7
69.07082	11.0
71.04994	3.8
71.70892	3.2
79.05486	20.7
81.03410	100.0
81.03890	5.3
81.07054	40.2
83.04991	14.1
83.08626	16.7
85.06535	3.2
91.05472	33.1
93.07043	19.5
95.04964	24.9
95.08609	16.7
97.02881	6.6
97.06535	6.2
98.98452	2.8
105.07017	31.6
107.04948	19.3
107.08577	8.2
109.06502	7.6
109.10138	3.2
111.08060	8.8
113.06084	2.5
117.07024	2.8
119.08570	22.0
121.06483	6.3
121.10128	12.0
123.08066	5.1
123.11665	3.9
126.52802	2.6
129.06999	9.1
131.08556	8.2
133.06509	2.9
133.10095	10.1
135.11685	3.4
136.06180	6.9
137.09586	3.4
138.95662	2.5
142.07742	2.6
147.08075	3.9
147.11673	20.1
149.09579	5.6
153.01784	4.6
157.10153	14.4
159.11655	2.5
164.07025	4.9
165.06857	2.2
165.12762	8.1
175.11163	11.5
178.07579	2.2
179.08563	3.6
193.12231	20.0
207.02820	2.6
207.08069	14.4
211.13234	5.2
235.07489	9.7
236.08366	4.8
237.03940	3.1
249.14764	3.7
260.61237	2.2
265.76254	2.1
267.10629	13.4
267.15891	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03944	3.9
55.01866	2.3
55.05509	6.5
57.03434	20.1
65.03932	1.0
65.78960	0.6
67.05500	12.8
69.03422	2.2
69.07059	2.5
69.71752	4.5
71.01364	0.8
71.04977	2.5
75.98268	0.7
79.05488	12.1
81.03411	100.0
81.07052	11.6
83.04989	4.1
83.08611	14.8
91.05474	19.0
93.07027	7.9
95.04961	21.2
95.08593	5.0
97.02881	1.3
97.06527	1.8
97.10152	1.9
105.07017	15.0
107.04971	4.4
107.08573	3.0
109.06539	3.5
109.10149	1.0
111.04422	1.6
111.08070	6.3
115.05457	1.2
117.07014	1.0
119.04900	1.4
119.08563	11.4
120.60845	0.7
121.06497	2.4
121.10144	4.3
123.08047	1.2
129.06993	7.5
131.08548	6.6
133.06465	2.5
133.10153	3.6
135.08029	0.7
137.09601	1.6
142.07751	2.1
145.10165	1.0
147.08025	2.7
147.11684	8.1
149.09579	4.1
157.10115	9.4
162.86594	0.8
163.11172	1.2
165.12749	2.2
168.39159	0.8
170.18596	0.7
175.11174	9.7
193.10550	1.3
193.12242	20.6
211.13307	3.2
249.14720	1.0
267.15884	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.82380	0.7
53.03947	4.3
55.01861	1.8
55.05501	7.9
57.03433	19.1
58.64124	0.7
67.05499	12.9
69.03407	2.2
69.07072	4.1
69.52871	5.4
69.53283	1.8
71.04975	1.5
79.05479	13.2
81.03410	100.0
81.07049	17.1
81.38192	0.8
82.03725	0.9
83.04978	5.9
83.08612	14.7
85.02866	0.9
85.06551	1.5
86.51104	0.8
91.05466	20.7
93.07030	8.1
95.04964	21.9
95.08578	5.8
97.02871	2.3
97.06518	1.4
97.10160	1.8
103.05452	1.1
105.07020	14.5
107.04942	5.2
107.08588	3.8
109.06470	4.0
109.73309	0.7
111.04477	1.1
111.08069	6.2
117.06995	1.1
119.08574	13.4
121.06499	1.9
121.10141	5.2
123.08051	2.2
123.11660	2.3
129.06996	7.9
131.08562	5.7
133.06444	2.3
133.10147	3.8
135.63060	0.8
136.74551	0.7
137.09584	1.3
142.07762	2.4
145.10114	1.1
147.08015	2.8
147.11670	11.2
149.09622	4.3
156.42464	0.9
157.10120	8.8
159.11646	0.9
165.12723	3.0
175.11192	10.7
182.91075	0.8
193.12233	21.2
211.13232	1.6
267.15894	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	267.1589
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03935	5.6
55.01864	3.7
55.05508	15.6
57.03432	26.6
65.03939	3.3
67.05502	35.5
69.03415	3.1
69.07063	12.0
70.96574	3.0
71.04984	3.1
71.26893	1.9
74.62567	1.3
79.05485	26.0
81.03411	100.0
81.07050	78.7
83.04970	9.1
83.08614	15.8
85.06542	4.4
91.05470	37.7
93.07041	15.4
95.04412	2.2
95.04969	25.0
95.08601	20.8
97.02922	2.0
97.06521	8.1
97.10165	2.2
99.08080	4.2
105.07018	36.6
107.04943	5.9
107.08577	9.2
108.33091	1.5
109.06506	6.4
111.08070	6.5
115.05481	2.2
117.06986	3.1
119.08570	26.1
121.06525	2.2
121.10139	17.0
123.08051	3.5
123.11712	17.3
127.07549	3.8
129.07007	10.1
131.08556	14.0
133.06487	2.9
133.10126	8.0
138.76436	1.5
142.07675	1.7
143.08539	3.0
147.08069	2.3
147.11676	46.8
149.09610	4.5
155.08554	4.6
157.10092	10.6
163.11223	2.0
165.06967	1.6
165.12753	18.7
169.10117	7.2
170.92174	1.5
175.11209	9.8
183.11711	4.3
193.12207	18.0
196.12480	1.6
211.13139	2.5
211.14812	3.6
221.13182	1.9
239.14261	17.3
249.14795	1.6
267.15927	98.3
268.16187	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	267.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79207	0.6
54.42482	0.5
55.01858	1.6
55.05497	1.4
57.03415	1.5
67.05492	2.5
69.03426	14.4
69.07051	1.1
70.95692	0.7
70.96024	1.0
71.04988	0.9
79.01838	5.6
79.05474	2.7
80.49039	0.5
81.03407	4.4
81.07041	4.0
83.04951	1.2
83.08597	1.1
85.02914	0.7
91.05468	4.2
93.07018	2.0
95.04956	1.9
95.08590	2.5
97.02890	22.6
97.10161	0.7
103.05445	0.9
104.02541	0.5
105.07016	2.0
107.01313	1.5
107.04942	1.1
107.08569	0.9
109.06537	1.2
109.96265	0.6
115.03938	5.7
117.06982	0.7
119.04920	2.9
119.08583	1.7
121.02853	0.8
121.06475	0.6
121.10144	1.7
123.08066	1.2
125.02346	4.8
131.04907	2.7
131.08534	0.7
133.02821	2.0
133.10164	1.4
135.04430	1.0
139.03848	1.2
143.03401	10.6
147.04407	4.9
147.11739	1.4
149.09651	0.9
151.03906	1.8
151.11232	0.7
153.01816	100.0
153.02745	4.0
154.02167	1.4
157.10117	0.9
159.04411	3.9
163.03857	3.9
165.05449	1.9
175.03842	3.2
175.11118	0.7
177.05434	1.7
177.18980	0.6
179.03365	7.3
181.01329	0.9
182.31259	0.7
191.03366	4.0
191.14337	0.6
193.01553	0.7
193.04961	4.1
193.12170	0.9
195.02888	1.7
203.03354	1.8
205.04933	5.5
207.02869	9.9
209.04462	2.1
219.02861	0.8
221.04405	3.1
223.02364	4.0
231.02827	2.3
235.07715	0.7
237.03877	4.4
249.03986	1.9
249.18600	0.8
254.35324	0.6
257.14850	0.7
267.04855	6.6
267.08804	2.1
267.15823	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	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
60.04520	11.6
65.03931	1.4
69.03426	1.3
69.60538	3.8
69.60977	2.5
70.02960	3.3
88.03989	60.5
91.05475	83.8
95.08625	1.0
95.40961	0.7
97.02869	0.9
102.05533	100.0
105.07045	1.2
107.08595	1.7
119.01980	0.8
120.08088	1.8
121.10110	1.8
130.05014	1.2
135.11635	0.7
146.06009	2.3
148.06038	52.9
206.08183	2.3
220.09706	6.0
230.12447	0.9
234.07652	1.0
248.09204	1.5
264.64078	0.7
266.10159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06487	0.2
51.44699	0.3
55.05500	0.6
57.03420	0.3
59.04993	0.7
61.02917	1.3
63.67893	0.3
65.80903	0.3
70.01571	1.1
71.04980	2.1
79.05476	0.6
80.54610	0.2
81.07055	2.7
88.03941	0.3
93.16557	0.3
94.04028	1.1
98.20778	0.3
99.08119	0.3
119.03530	2.0
136.06172	100.0
137.04614	1.5
137.06563	0.6
137.13321	0.3
203.76157	0.3
221.38020	0.3
234.13475	19.5
235.13516	0.3
266.16092	47.5
267.16379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88427	0.1
59.22479	0.1
71.68996	0.2
82.99883	0.3
98.97565	0.1
101.00862	2.5
108.75352	0.1
116.98728	0.1
119.01904	12.1
120.02044	0.2
120.48418	0.1
122.97784	0.1
134.99876	0.7
137.02945	2.9
140.98796	0.3
142.03502	0.2
153.00923	0.5
158.99861	1.3
161.13846	0.1
165.99564	0.2
175.02968	0.3
176.47217	0.1
177.00931	24.5
178.01036	1.0
179.01208	0.2
182.99823	0.6
184.00729	0.1
193.04097	0.5
195.02003	0.4
199.02893	0.1
200.02521	0.5
200.12411	0.1
201.00928	1.3
201.02495	0.2
209.98457	0.1
217.04073	3.3
218.03867	0.1
219.01981	28.4
220.02092	1.4
221.01991	0.4
224.00082	0.1
225.00821	2.2
234.00653	0.2
242.03607	0.7
243.01939	8.7
244.02084	0.4
260.04703	0.1
261.03030	100.0
262.03183	3.5
263.03473	0.4
266.03616	0.6
275.04510	0.3
284.04657	5.2
285.04697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1796
Annotation	Actinolide A
Peak:m/z	Relative Intensity
53.03934	3.0
55.01849	8.8
55.05508	50.3
55.75588	2.1
57.07081	19.1
67.01836	8.4
67.05502	15.0
68.99418	2.8
68.99786	52.8
69.03404	3.6
69.07069	42.2
71.08616	4.1
71.61971	2.8
79.05495	15.7
81.03402	3.0
81.07046	27.1
83.04954	8.9
83.08195	2.8
83.08620	31.7
85.06523	2.4
85.10139	2.3
87.00858	2.3
91.05447	4.0
93.07027	19.9
95.04925	5.2
95.08602	22.4
97.02853	4.5
97.06020	1.8
97.06516	16.8
97.10166	22.1
105.06989	4.8
107.04926	3.9
107.08588	18.2
109.10138	6.9
111.00797	100.0
111.04435	17.9
111.08046	8.2
111.11681	3.1
119.08595	5.7
121.06482	5.2
121.10138	20.2
123.08063	5.6
125.05978	5.0
125.09589	4.6
126.03070	8.3
127.03909	24.2
127.04782	3.7
131.08553	4.2
135.08008	9.0
135.11627	8.9
139.02881	3.3
139.03893	48.2
139.07472	5.9
139.11147	7.3
143.08507	2.4
145.10057	6.1
149.09543	5.2
153.05463	3.7
153.09062	3.5
157.08667	2.3
161.09521	2.0
161.13219	2.5
163.11119	5.7
163.14742	6.9
167.06967	6.6
167.10658	4.8
171.10220	3.0
177.08958	2.7
177.16310	6.6
181.08517	9.1
181.15897	3.0
183.11783	2.2
185.11685	3.0
187.14780	7.4
195.10146	11.1
195.17380	2.7
205.15831	8.7
209.11693	16.6
219.17342	2.8
223.13272	7.4
223.16856	19.9
230.08235	2.9
241.17929	8.4
258.15747	2.4
265.17926	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	(-)-Abscisic acid
Peak:m/z	Relative Intensity
55.01857	6.0
55.05505	10.6
57.07072	8.3
58.71468	3.5
59.04992	7.1
62.80442	3.4
63.70861	3.2
67.05499	16.5
68.99782	5.0
69.03430	12.7
69.07054	4.1
69.44216	34.7
74.78550	3.0
79.05489	14.6
81.07066	10.2
83.04972	47.9
83.08596	4.0
85.02921	3.0
91.05468	23.4
93.07050	19.4
95.04959	21.0
95.08614	11.7
97.06536	6.9
105.07025	20.8
107.08583	33.2
109.02864	10.2
109.06512	13.8
109.10165	8.2
111.04445	26.7
111.08078	13.8
113.05991	30.4
115.05432	5.5
117.07001	13.5
119.08589	30.2
121.06503	30.5
121.10148	5.3
122.07194	4.2
123.08053	17.8
125.09630	9.1
128.06221	6.1
129.06990	5.6
131.08560	12.7
133.10110	6.3
135.08046	75.5
135.11700	6.6
137.06026	5.0
137.09619	8.9
139.03978	3.6
143.08588	6.6
145.06508	14.7
145.10117	14.6
147.08038	9.1
149.05962	9.0
149.09647	15.3
151.07484	6.1
153.09108	22.6
157.10043	3.8
158.07257	4.2
159.08075	8.2
159.11684	13.4
160.08893	8.6
161.09616	9.0
163.07544	60.2
163.11160	10.8
165.09143	8.6
168.09351	3.7
172.08838	7.4
173.05881	4.1
173.09688	9.3
173.13298	17.9
177.12746	5.0
183.11690	6.4
185.13455	3.7
186.10413	6.2
187.11159	36.5
191.06952	21.3
201.12773	29.1
203.10687	3.3
205.12257	18.7
209.08147	5.9
211.11192	8.2
219.13779	23.3
229.12236	43.1
247.09476	4.5
247.13303	100.0
265.14407	24.8
265.18060	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	265.1433
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
51.17774	2.7
53.03906	4.0
55.01857	2.9
55.05511	15.3
57.07056	10.3
59.04982	6.7
60.04504	11.4
65.03919	7.9
67.05505	14.7
68.99792	3.5
69.03413	20.0
69.07050	12.5
71.04984	3.3
71.70786	4.8
79.05493	20.8
81.07040	22.4
81.18933	2.5
82.03966	2.7
83.04958	12.2
83.08603	9.2
85.02888	10.0
87.04433	7.6
88.03990	56.6
91.05476	100.0
91.91177	2.9
93.03400	3.5
93.07032	29.3
95.04948	11.4
95.08614	20.1
97.02909	12.8
97.06531	8.3
100.70509	2.8
102.05536	91.9
103.05387	4.6
105.07026	18.5
107.04961	2.7
107.08584	54.9
109.06490	22.4
109.10119	13.1
111.04440	8.4
111.08055	11.7
111.88328	2.6
115.03914	4.2
115.05467	7.5
117.07004	23.4
119.01903	6.6
119.08556	26.7
120.08067	5.0
121.02839	3.6
121.06499	24.2
121.10132	29.2
122.07113	4.9
123.04439	7.0
123.08066	9.3
125.05991	4.2
125.09654	7.4
129.07045	3.6
131.08527	13.3
133.06491	5.3
133.10109	7.6
135.08037	47.9
135.11688	16.5
137.05920	6.9
139.03902	6.3
139.07510	4.7
143.01877	7.3
143.08577	5.3
145.06462	15.4
145.10106	9.0
147.08012	7.2
147.11674	3.5
148.04959	5.2
148.06041	57.2
149.05951	7.9
149.09622	8.0
151.07510	18.5
153.09030	13.1
157.03418	2.7
157.10065	4.2
158.10918	3.5
159.08043	5.2
159.11684	12.5
161.02913	11.3
161.09593	7.6
163.03831	2.8
163.07516	39.6
163.11201	5.6
167.07034	3.8
170.10834	3.7
171.08054	3.9
172.08751	4.5
173.02943	3.2
173.05981	6.0
173.09531	3.1
173.13228	9.3
177.05032	6.2
177.12746	7.5
177.16348	10.3
181.08595	26.4
183.11606	6.1
185.02905	9.6
186.10432	3.5
187.11244	14.8
189.09021	3.4
191.06993	8.4
192.36626	2.9
199.10777	6.1
201.12726	13.1
203.04034	16.3
205.12253	16.3
207.10197	3.8
209.08086	38.5
211.11160	2.9
215.04022	6.5
219.13745	5.4
220.09744	4.3
229.12241	15.9
247.13263	18.8
265.11548	5.5
265.14334	97.4
265.72562	2.6
275.06079	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
53.03927	2.6
55.01854	4.1
55.05490	6.0
57.03415	2.0
57.07059	10.8
59.04983	5.6
60.04505	4.3
65.03922	4.5
67.05496	11.1
68.99744	2.9
69.03417	15.4
69.07047	5.5
70.19856	1.3
71.70893	1.4
73.06553	2.7
77.46948	1.5
79.05489	13.0
81.07050	13.9
83.04974	13.1
83.08595	4.8
85.02898	5.3
87.04449	3.6
88.03986	11.8
91.05470	34.2
93.03400	4.1
93.07041	23.7
95.04961	7.9
95.08594	13.9
97.02894	8.1
97.06538	8.3
99.04485	1.7
102.05531	23.0
103.05444	2.9
105.07023	15.8
107.04948	6.5
107.08583	35.0
109.06510	19.0
109.10129	6.9
111.04428	5.7
111.08060	12.0
113.02370	2.2
115.03937	2.9
115.05406	4.0
117.07002	15.0
119.01888	3.6
119.08567	22.7
120.08080	5.7
121.02886	3.6
121.06491	21.7
121.10139	18.2
122.07179	1.8
123.04415	3.6
123.08051	5.6
125.05959	3.0
125.09616	5.4
129.06998	2.1
130.07741	2.1
131.01854	2.0
131.04840	1.8
131.08543	7.6
133.04962	1.7
133.06464	1.8
133.10132	5.0
135.04361	3.1
135.08043	44.8
135.11687	11.3
137.05962	3.9
137.09607	3.1
139.03882	8.2
139.07500	2.2
143.01872	5.4
143.08524	3.2
144.09373	1.6
145.03436	2.7
145.06476	11.4
145.10078	8.1
147.08038	7.0
148.06013	11.2
149.05962	6.6
149.09607	3.7
151.07532	19.7
153.09126	9.8
157.10118	2.6
159.07974	3.2
159.11703	10.9
161.02969	4.2
161.09531	3.7
163.06226	2.7
163.07535	39.6
163.11153	6.3
165.09166	1.8
166.08647	2.9
167.01859	2.8
167.07100	1.6
168.09332	1.8
170.10878	2.3
172.08847	2.7
173.02917	2.3
173.05974	4.4
173.09612	2.9
173.13228	8.9
175.11128	1.8
177.12749	8.0
177.16408	3.6
180.14168	1.4
181.08580	21.0
183.11739	2.9
185.02968	4.1
185.13130	2.0
186.10371	3.8
187.11153	13.0
189.09094	2.9
191.07082	7.8
201.12744	11.2
203.04034	5.7
205.08536	2.1
205.12242	13.7
206.08093	1.8
207.10092	2.9
209.08047	36.5
210.61555	1.6
215.03865	3.0
219.13803	5.5
229.12177	10.5
247.13341	10.6
247.16777	2.6
251.15034	2.3
265.14316	100.0
266.14728	2.6
269.20944	1.5
275.06158	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	5.5
55.01855	7.7
55.05498	17.8
56.96550	4.6
57.07077	5.2
65.03938	8.6
67.05499	38.3
69.03429	40.2
69.07056	13.1
69.82954	19.0
69.83364	8.0
71.04980	12.5
79.05484	25.3
81.03413	4.1
81.07048	24.7
83.04955	7.8
85.02888	7.2
88.03977	11.2
91.05468	55.9
93.03386	8.4
93.07040	52.1
95.04969	44.1
95.08602	25.5
97.02886	8.8
97.06517	9.6
99.04440	8.4
103.05445	6.2
105.03464	3.5
105.04525	5.2
105.07025	73.9
107.04939	11.9
107.08585	32.0
109.06505	39.1
109.10171	10.9
111.04442	28.4
111.08064	13.3
112.11064	4.0
113.06004	15.6
115.05447	13.4
116.06235	7.3
116.78095	3.6
116.98612	10.4
117.07024	23.6
118.04192	3.9
119.04962	6.3
119.07749	7.1
119.08570	100.0
121.02879	13.0
121.06511	42.2
121.10112	20.2
122.07133	11.1
123.04419	5.3
123.08061	28.8
125.05998	4.3
128.06183	7.9
129.06993	18.3
130.07777	6.2
131.04922	4.0
131.08562	47.0
133.06493	11.7
133.10124	26.4
135.08047	74.3
137.05986	5.2
137.09599	17.2
139.03900	10.6
139.07524	13.1
141.06966	12.3
142.07770	12.8
143.08533	24.2
144.05711	7.3
144.09296	10.7
145.06476	17.0
145.10121	40.5
147.08041	46.3
147.11661	23.6
149.05974	6.4
149.09619	15.8
151.04018	4.8
151.07504	8.7
153.06987	8.2
154.07768	4.4
155.08521	7.8
156.09430	4.1
157.10107	26.4
158.07243	24.7
159.08067	44.7
159.11671	52.0
161.05978	13.4
161.09618	40.3
163.07530	6.1
165.09129	31.8
168.09311	9.7
169.10106	4.9
171.04301	5.4
171.08044	8.4
171.11679	11.3
172.08813	17.6
173.09593	24.6
173.13248	20.5
175.07538	73.7
175.11142	36.9
183.11699	16.6
185.09666	5.7
186.10443	7.0
187.11189	44.9
189.09093	16.4
189.12711	13.7
191.10661	5.3
193.08653	21.6
196.08847	4.2
199.11163	17.0
201.12744	46.9
203.06932	6.0
203.10629	41.0
205.12128	6.9
211.11229	25.7
216.01326	4.1
217.12239	20.9
219.13792	10.9
220.09668	8.2
229.12183	42.7
239.47484	3.8
247.13254	45.9
265.05948	4.9
265.08585	6.4
265.14273	51.7
265.17899	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	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03933	6.5
53.23657	3.2
55.01854	3.6
55.05493	11.6
56.71563	2.7
57.03441	3.4
65.03941	8.4
67.05505	33.9
69.03416	41.5
69.07064	5.5
70.04902	19.4
71.04983	10.7
76.49410	3.0
79.05489	21.6
81.07057	23.1
83.04974	14.4
88.41602	3.2
91.05481	53.2
92.44939	3.0
93.03403	8.4
93.07038	48.7
95.04964	53.3
95.08602	27.0
97.02900	3.5
97.06524	12.8
99.04424	6.1
99.46574	3.3
103.05399	4.0
105.07018	84.2
107.08580	22.7
109.02850	5.4
109.06509	33.1
109.10134	13.5
111.04439	39.1
111.08070	7.9
113.06001	19.7
115.05423	6.2
116.06262	5.1
117.07025	20.1
119.05021	2.9
119.08572	100.0
121.02844	13.1
121.06493	57.8
121.10152	12.8
123.04414	4.6
123.08075	27.9
124.02152	3.7
125.05950	6.0
128.06236	8.0
129.06999	21.2
130.07765	8.3
131.07652	6.0
131.08548	46.2
133.06456	11.6
133.10146	21.4
135.08047	94.8
137.09602	12.5
139.03889	14.5
139.07562	7.3
139.84668	3.0
141.06992	10.4
142.07765	12.2
143.08539	24.2
144.09344	12.2
145.06482	17.6
145.10109	40.6
146.07231	5.8
147.08020	47.2
147.11667	21.0
149.05962	3.8
149.09639	14.8
151.07484	5.6
153.06927	5.6
153.09074	8.8
155.08574	8.6
156.09352	9.4
157.10123	27.2
158.07272	24.0
158.10857	6.8
159.08031	49.8
159.11682	48.2
160.08923	4.3
161.09624	50.2
161.13179	5.5
163.07405	3.3
165.09105	40.1
167.10654	4.2
168.09319	11.4
169.10114	5.9
171.08058	9.4
171.11644	8.4
172.08835	29.0
173.09665	22.0
173.13220	25.5
175.07532	89.5
175.11162	52.3
178.07768	3.8
183.11694	15.9
185.09579	12.1
186.10345	6.3
187.07593	4.0
187.11147	55.3
189.09056	18.5
189.12685	19.8
193.08615	27.8
193.10094	4.8
196.08832	8.8
199.11168	20.6
201.12729	47.1
203.10648	62.8
205.12227	7.9
211.08034	3.2
211.11168	29.0
217.12233	37.5
219.13858	15.9
229.12207	34.0
235.13301	9.8
247.13261	56.0
265.14346	71.4
282.34775	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	265.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53914	0.7
53.91016	0.7
54.93830	1.0
55.01875	0.9
55.05507	1.1
55.93527	4.5
56.96566	9.1
57.03431	1.7
57.07075	1.3
61.02913	1.4
67.05514	2.3
69.03424	4.0
69.07053	2.0
70.01456	4.3
70.06582	1.6
71.04988	0.9
71.93000	2.2
72.93786	2.0
73.02899	2.2
79.05486	1.9
80.04996	0.8
81.03416	1.8
81.04534	12.3
81.07043	3.0
81.14564	0.7
83.08626	0.8
84.04498	2.3
84.75185	0.8
85.02913	8.0
86.09723	0.9
90.94786	1.6
91.05470	1.9
93.07045	1.8
94.02938	0.7
95.04963	1.5
95.08595	1.6
97.02885	3.5
98.20837	1.2
98.97557	5.1
99.04444	0.7
105.07040	1.5
107.08568	1.7
110.97516	0.9
111.96064	1.0
113.02933	0.8
114.72406	0.7
116.98627	4.1
117.07013	1.0
119.01834	1.7
119.04917	0.8
119.08585	0.9
120.02206	0.7
121.01662	4.1
121.02825	0.8
121.06493	0.9
121.10096	1.2
122.07150	100.0
122.81418	0.9
123.11676	0.8
127.03925	2.0
128.02257	0.8
128.98570	1.0
129.97101	1.0
130.04979	1.2
131.08578	1.2
133.01625	1.7
133.10080	0.9
134.99641	3.0
137.05984	1.3
143.08533	1.7
144.04773	27.5
144.98100	1.1
145.01595	2.7
145.04945	0.8
145.06526	0.9
145.10123	1.0
146.99608	1.8
153.01839	1.9
154.02078	1.1
157.10081	1.2
158.99663	1.9
161.01199	1.3
162.99081	1.7
163.02602	6.6
175.02664	3.2
175.04259	1.0
177.00734	1.4
177.04173	1.0
184.03076	2.3
184.04892	1.7
186.04250	1.1
186.26189	0.8
189.09062	0.9
191.03743	1.1
193.00244	1.0
193.03767	1.8
195.55804	1.0
202.10603	0.9
203.11055	1.7
205.00125	1.3
205.03696	1.4
206.78198	0.9
213.00594	1.0
215.98320	1.9
223.01236	3.0
228.14343	0.8
229.12283	1.9
231.01633	0.9
237.02754	0.9
241.02116	1.2
241.94992	4.5
247.13158	1.6
248.05989	1.0
255.92920	0.8
259.96124	8.7
264.96500	1.7
265.03287	1.6
265.05984	2.1
265.10931	1.0
265.14163	1.2
265.25327	1.2
273.94003	0.9
282.97583	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	265.1069
Annotation	Scytalol D
Peak:m/z	Relative Intensity
53.03939	5.4
55.01857	19.3
55.05498	14.6
61.36149	3.9
63.12383	3.9
64.64000	4.3
65.05794	5.0
67.05482	22.7
69.07054	13.7
70.03826	23.5
71.04982	9.7
79.05485	36.6
81.03411	30.4
81.07042	35.7
83.04994	9.5
85.06504	5.8
86.45782	4.7
91.05479	42.3
93.07037	15.7
95.04951	10.0
95.08611	19.1
97.10136	6.0
98.20721	6.0
99.04453	7.1
99.67461	4.8
101.36014	4.3
103.05449	10.3
105.07037	26.9
107.04933	36.5
107.08583	17.1
107.85520	4.4
109.06548	8.3
109.10132	14.3
110.56535	4.2
115.05444	44.8
116.06231	15.9
117.07020	43.0
119.08546	14.5
121.06499	6.7
121.10124	17.6
122.76218	4.7
123.08050	5.7
124.05196	5.5
128.06212	17.0
129.07022	38.3
131.04916	13.5
131.08575	35.4
132.05774	5.2
133.06459	15.5
133.10097	8.5
135.08064	7.1
141.06961	23.5
143.04898	11.2
143.08560	7.4
144.05714	46.3
145.06483	67.3
145.10109	11.0
147.04381	10.9
147.08022	14.5
149.09587	8.8
155.06041	10.4
156.05679	11.7
157.06482	23.9
158.07253	19.1
159.04301	9.6
159.08052	56.7
159.11665	6.9
160.05290	5.3
161.05928	29.4
163.11060	5.2
167.07033	71.5
169.06512	14.1
172.05173	13.1
173.05966	88.5
173.09714	5.7
173.13135	6.2
175.07581	16.4
178.06189	7.3
186.06718	8.3
187.07553	65.0
187.11122	6.4
190.06245	52.8
191.07039	16.7
192.07790	11.7
193.08577	17.4
201.12764	12.1
203.07031	26.3
204.07738	7.4
205.08589	100.0
205.15820	8.5
207.06458	6.0
207.10158	11.4
209.11612	5.1
215.06976	19.4
217.08540	26.6
218.09389	35.0
219.10121	46.4
229.08524	8.4
229.12177	8.8
235.09607	10.1
237.11044	7.5
247.09610	70.8
247.16893	5.4
265.08533	9.4
265.10825	25.5
265.14450	9.4
265.17899	31.7
265.25174	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	264.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.4
53.06040	1.4
55.01850	5.8
56.05016	3.1
56.96560	8.0
57.03433	15.2
61.02921	10.6
69.03102	1.9
69.03427	22.1
71.04972	2.0
71.34046	3.2
72.08138	1.9
73.02908	26.7
74.06067	1.5
81.03417	7.9
81.07057	2.1
83.99930	1.8
84.04497	9.4
84.08143	2.3
85.02900	42.7
86.03205	2.6
86.06079	1.6
87.04458	2.7
88.07649	1.5
91.03938	3.0
97.02884	24.7
98.97591	8.5
99.04441	4.7
101.00864	11.2
102.00938	9.3
102.02377	2.0
102.05528	1.6
103.00605	3.0
109.02867	5.9
110.97517	2.1
111.02890	4.7
112.07579	4.2
112.99128	2.0
113.00824	2.8
114.00999	2.9
114.05496	3.9
115.03950	1.8
116.98602	6.9
117.02907	1.8
119.01097	2.2
119.01910	34.5
120.01983	35.0
121.01657	7.8
122.07140	2.1
123.02877	3.6
127.03191	1.4
127.03916	15.9
128.02274	2.7
128.98601	2.0
129.02927	3.2
129.03894	1.6
130.03799	1.7
130.04961	2.2
130.08604	5.7
131.00217	2.0
131.01904	19.7
131.96112	2.0
132.01978	24.7
132.03410	3.7
132.06508	2.2
133.01636	4.8
133.03372	1.9
134.99568	2.4
135.02901	2.1
136.03656	1.8
137.02899	6.0
137.05940	2.0
138.03226	6.9
138.05412	1.4
138.09039	3.0
142.04971	2.6
143.01877	18.4
144.02025	34.9
144.03322	3.1
145.01627	6.4
145.03450	7.9
145.04929	6.5
146.03653	3.3
146.99568	2.3
147.03998	3.4
149.01131	1.9
149.02942	6.0
150.03032	5.2
153.04013	3.6
155.01875	13.3
156.02008	15.5
156.03351	2.2
156.06525	1.6
156.10193	1.7
157.01640	2.0
157.03441	6.8
158.03609	2.8
158.99669	1.6
161.02942	41.0
161.04520	2.6
162.03087	100.0
163.02679	19.7
163.04060	1.8
163.04547	1.4
165.54704	2.0
167.01909	5.1
168.03505	1.9
170.99498	2.0
171.04984	1.9
173.02946	24.3
174.03090	42.8
174.04514	11.4
174.55119	2.9
175.02675	9.0
175.04362	2.3
176.04654	2.4
177.00819	2.0
177.04041	8.5
180.04074	3.3
183.05037	14.7
184.04622	4.4
184.09612	1.9
185.02930	23.2
185.04695	6.9
186.03082	6.2
187.04480	3.7
189.00748	3.3
191.03925	9.2
192.04092	22.7
192.05539	3.2
193.03737	5.3
197.02950	5.8
197.04608	2.2
198.03064	2.2
200.04343	2.4
202.10751	15.1
203.03972	13.4
204.04170	16.7
205.03680	3.4
210.05174	1.8
215.03992	5.0
215.05811	1.6
219.01723	3.0
221.05031	5.4
222.05241	6.3
227.03960	4.9
240.06268	4.5
245.05046	27.8
246.05331	8.7
247.04778	1.6
255.06444	1.9
257.05032	3.9
263.06122	2.6
264.02066	2.2
264.06226	38.3
264.10721	3.0
265.05887	5.7
275.06165	4.9
287.06235	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	264.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.4
53.06040	1.4
55.01850	5.8
56.05016	3.1
56.96560	8.0
57.03433	15.2
61.02921	10.6
69.03102	1.9
69.03427	22.1
71.04972	2.0
71.34046	3.2
72.08138	1.9
73.02908	26.7
74.06067	1.5
81.03417	7.9
81.07057	2.1
83.99930	1.8
84.04497	9.4
84.08143	2.3
85.02900	42.7
86.03205	2.6
86.06079	1.6
87.04458	2.7
88.07649	1.5
91.03938	3.0
97.02884	24.7
98.97591	8.5
99.04441	4.7
101.00864	11.2
102.00938	9.3
102.02377	2.0
102.05528	1.6
103.00605	3.0
109.02867	5.9
110.97517	2.1
111.02890	4.7
112.07579	4.2
112.99128	2.0
113.00824	2.8
114.00999	2.9
114.05496	3.9
115.03950	1.8
116.98602	6.9
117.02907	1.8
119.01097	2.2
119.01910	34.5
120.01983	35.0
121.01657	7.8
122.07140	2.1
123.02877	3.6
127.03191	1.4
127.03916	15.9
128.02274	2.7
128.98601	2.0
129.02927	3.2
129.03894	1.6
130.03799	1.7
130.04961	2.2
130.08604	5.7
131.00217	2.0
131.01904	19.7
131.96112	2.0
132.01978	24.7
132.03410	3.7
132.06508	2.2
133.01636	4.8
133.03372	1.9
134.99568	2.4
135.02901	2.1
136.03656	1.8
137.02899	6.0
137.05940	2.0
138.03226	6.9
138.05412	1.4
138.09039	3.0
142.04971	2.6
143.01877	18.4
144.02025	34.9
144.03322	3.1
145.01627	6.4
145.03450	7.9
145.04929	6.5
146.03653	3.3
146.99568	2.3
147.03998	3.4
149.01131	1.9
149.02942	6.0
150.03032	5.2
153.04013	3.6
155.01875	13.3
156.02008	15.5
156.03351	2.2
156.06525	1.6
156.10193	1.7
157.01640	2.0
157.03441	6.8
158.03609	2.8
158.99669	1.6
161.02942	41.0
161.04520	2.6
162.03087	100.0
163.02679	19.7
163.04060	1.8
163.04547	1.4
165.54704	2.0
167.01909	5.1
168.03505	1.9
170.99498	2.0
171.04984	1.9
173.02946	24.3
174.03090	42.8
174.04514	11.4
174.55119	2.9
175.02675	9.0
175.04362	2.3
176.04654	2.4
177.00819	2.0
177.04041	8.5
180.04074	3.3
183.05037	14.7
184.04622	4.4
184.09612	1.9
185.02930	23.2
185.04695	6.9
186.03082	6.2
187.04480	3.7
189.00748	3.3
191.03925	9.2
192.04092	22.7
192.05539	3.2
193.03737	5.3
197.02950	5.8
197.04608	2.2
198.03064	2.2
200.04343	2.4
202.10751	15.1
203.03972	13.4
204.04170	16.7
205.03680	3.4
210.05174	1.8
215.03992	5.0
215.05811	1.6
219.01723	3.0
221.05031	5.4
222.05241	6.3
227.03960	4.9
240.06268	4.5
245.05046	27.8
246.05331	8.7
247.04778	1.6
255.06444	1.9
257.05032	3.9
263.06122	2.6
264.02066	2.2
264.06226	38.3
264.10721	3.0
265.05887	5.7
275.06165	4.9
287.06235	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03925	1.3
55.01846	0.9
55.05247	1.2
55.05502	13.8
57.03430	1.2
57.07069	13.3
65.03934	2.2
67.05499	81.1
69.06715	0.9
69.07066	15.3
69.53540	4.6
69.53955	2.0
71.04984	1.5
71.08624	5.2
76.65486	0.7
79.05038	1.5
79.05483	21.8
81.07050	100.0
83.04957	1.8
83.08614	14.2
85.06545	4.0
85.10186	3.8
91.04936	1.5
91.05467	17.6
93.07037	20.4
95.04956	1.3
95.08598	81.0
97.06521	7.1
97.10162	6.7
99.08077	5.7
105.07024	8.0
106.32982	0.9
107.08586	14.3
108.95163	0.8
109.06523	1.8
109.10145	43.3
111.08071	5.1
111.11673	1.0
113.09634	3.9
119.08566	11.9
121.10131	14.2
123.08052	1.9
123.10778	1.1
123.11694	18.4
127.11151	1.9
128.17111	0.8
133.09189	1.4
133.10114	12.9
135.11687	10.0
137.09621	3.3
137.13243	8.2
141.12738	2.0
147.11682	10.8
149.13252	7.3
151.11189	2.8
151.14801	7.9
158.12416	0.8
161.13268	10.6
162.93517	0.8
163.14809	8.6
165.16394	10.6
175.14812	8.4
177.16429	1.7
179.17915	3.3
181.15872	1.3
189.16373	3.1
203.17915	1.5
217.19441	1.6
245.22630	30.3
246.22826	0.8
263.23685	67.5
264.24176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.33240	1.0
53.03934	1.8
55.01864	1.7
55.05502	14.8
57.03428	1.8
57.06845	1.0
57.07075	11.6
58.67421	0.9
65.03931	3.1
67.05499	90.2
69.07065	16.5
69.85789	0.8
71.04980	1.7
71.08619	6.4
71.72511	1.3
79.05489	23.6
81.07050	100.0
83.04962	1.9
83.08609	13.9
85.06541	4.4
85.10171	3.4
89.74981	1.0
91.05473	20.5
93.07040	23.2
93.22561	0.9
94.07353	0.9
95.04940	2.2
95.08599	90.1
97.06520	8.4
97.10154	6.7
99.08089	6.9
105.07026	12.6
107.07931	1.2
107.08591	15.7
109.06464	0.9
109.10146	43.7
111.08087	5.4
111.11686	1.7
113.09627	3.8
117.07037	1.2
119.08575	13.4
120.20401	0.9
121.10130	16.4
123.08065	2.6
123.11692	19.6
125.09614	2.0
127.11143	1.7
131.08484	1.5
133.10107	15.1
135.11678	11.5
135.20442	0.9
137.09669	2.2
137.13249	8.0
139.11136	1.5
141.12718	2.6
147.11694	10.9
149.13272	8.6
149.78130	0.9
151.14806	6.9
155.14322	1.3
159.11787	1.1
161.13269	9.5
163.14818	8.2
165.16368	9.8
168.18320	0.9
175.14775	7.4
177.16374	1.8
179.17979	4.0
181.15886	1.8
189.16359	4.1
203.17996	2.1
204.13242	1.6
207.17297	1.2
208.17038	0.9
217.19426	1.3
230.36424	0.9
233.09923	1.1
245.22624	30.6
247.11563	4.1
248.12349	2.3
263.05484	0.9
263.08157	2.2
263.14719	22.0
263.23700	69.1
264.24210	1.3
277.18570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03935	2.0
55.05507	17.0
57.03423	1.2
57.07071	10.2
63.47378	1.0
65.03921	2.7
65.67615	1.0
67.05498	79.8
67.07806	1.0
69.07056	15.9
69.39120	11.7
71.04985	1.8
71.08620	6.9
73.62235	0.9
79.05043	1.5
79.05483	21.2
81.07048	100.0
82.07372	1.2
83.04964	2.2
83.08609	12.0
85.06532	5.5
85.10181	2.2
91.05466	15.5
93.07042	24.9
95.04949	2.7
95.08598	81.0
97.06530	9.9
97.10145	6.6
99.08102	5.1
105.07013	12.0
107.08585	14.6
109.06487	1.3
109.10144	42.2
111.08071	4.9
113.09642	2.9
119.08562	13.0
121.10143	17.4
123.08037	2.8
123.11700	17.4
125.84712	1.3
127.11214	1.7
133.10126	15.6
135.11691	8.8
136.73030	1.1
137.09641	2.7
137.13252	7.7
141.12718	2.2
147.11668	8.3
149.13249	8.5
151.14804	7.5
161.13260	10.4
163.14813	9.1
165.16391	10.3
175.14812	9.1
177.16389	2.1
179.17928	4.7
189.16362	3.8
191.17882	1.3
203.17902	2.4
210.57596	1.3
217.19408	1.4
223.33131	1.1
245.22633	34.8
263.08154	3.5
263.14670	2.3
263.23688	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	263.1638
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03938	2.4
55.01863	7.3
55.05505	47.1
60.95162	1.5
67.05492	5.7
69.03418	4.5
69.07049	3.7
71.13174	1.5
71.46924	3.3
79.05490	14.1
81.07046	43.2
81.07500	3.2
83.04954	3.6
83.08608	99.1
83.61564	1.3
85.06531	2.4
85.14878	1.5
90.53635	1.5
91.05482	16.8
93.07032	20.2
94.04174	5.5
95.04973	11.1
95.08590	12.4
95.09119	1.6
97.06538	8.6
97.07053	1.7
105.07030	10.8
107.04943	4.5
107.08580	39.4
109.06508	100.0
109.10168	3.3
111.08070	20.1
113.09640	6.5
119.04920	6.6
119.06089	1.6
119.08573	6.0
121.06522	3.6
121.10145	7.0
123.08041	9.3
125.09632	12.9
127.07582	2.6
131.08601	2.3
133.10149	7.7
135.08002	3.1
135.11690	5.0
137.05946	25.0
137.09618	2.1
139.11166	25.0
143.08562	2.2
145.10107	5.9
147.08151	2.2
149.09601	3.4
153.09055	11.8
157.10098	2.3
159.11667	9.4
161.09621	2.8
161.13211	3.0
163.11238	3.2
175.11215	1.6
175.14893	2.2
177.12755	4.3
179.14346	3.9
181.12210	16.7
185.13237	6.2
187.11098	8.3
203.14304	11.3
205.12199	14.1
221.15334	20.8
227.14240	1.7
245.15388	5.3
246.52197	1.5
263.08139	3.9
263.16544	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	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06936	0.7
58.99850	0.8
67.24815	0.6
67.70670	0.8
69.03419	1.2
72.37146	0.7
82.99864	1.3
84.06412	0.6
85.02885	2.0
88.74683	0.7
97.02892	2.1
101.00869	20.4
105.00365	1.0
109.02924	0.7
113.00862	4.8
115.02402	1.0
119.01914	43.9
131.01897	26.0
133.03484	1.5
137.02943	5.1
142.03491	0.7
143.01883	39.4
145.03433	2.2
149.02933	3.6
155.01863	16.2
157.03467	2.7
161.02945	100.0
162.03130	1.1
173.02946	41.4
174.03159	0.9
174.73325	0.8
175.04518	2.1
179.03978	3.0
179.63141	0.7
183.05078	0.9
184.04515	3.7
185.02950	4.8
191.03990	24.1
196.04585	1.1
197.02921	1.7
202.95590	0.7
203.03999	12.2
214.05630	2.0
215.04079	1.7
221.05011	5.3
233.05043	2.1
239.06146	3.0
242.89999	0.8
245.05038	1.3
263.01801	5.8
263.06238	18.7
263.12100	1.5
264.06564	0.7
280.84479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33149	0.9
68.53812	0.8
69.71500	3.1
69.71928	3.2
73.02863	1.0
82.99858	1.0
97.02825	1.5
101.00872	16.8
105.00375	1.8
113.00840	5.5
116.60166	0.8
119.01908	39.1
131.01895	25.4
133.03513	0.9
137.02937	3.4
142.03427	1.0
143.01884	33.9
145.03424	2.7
149.02936	3.3
155.01878	13.4
157.03513	1.8
161.02945	100.0
162.03069	2.0
167.01955	1.1
173.02951	37.2
179.03973	1.4
184.04552	3.6
185.02963	4.0
191.03992	20.4
197.02940	1.5
203.03996	13.0
215.04076	1.1
221.05016	4.4
233.04944	0.8
239.06137	2.5
263.01804	1.5
263.06311	17.6
263.12048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73971	20.0
68.67845	20.1
70.43446	100.0
74.94666	22.6
80.86033	19.0
84.96068	19.3
143.01894	25.6
159.42603	19.5
161.02922	37.1
245.50354	25.3
263.01611	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	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93048	1.7
66.54906	1.7
66.57022	1.7
68.29847	1.9
69.22834	1.6
70.51512	5.7
70.51878	3.2
101.00862	18.8
105.00387	1.8
113.00836	4.7
119.01909	41.1
131.01888	26.0
137.02939	4.3
143.01869	38.7
145.03450	3.2
149.03004	3.7
155.01849	14.1
157.03467	2.3
157.22282	1.7
161.02948	100.0
173.02954	43.5
175.04482	2.2
179.04034	2.5
184.04549	3.0
185.02972	3.5
191.03987	25.9
197.02837	3.4
203.03954	13.7
221.05026	5.0
233.05045	1.9
239.06070	2.6
245.05273	2.0
263.01794	8.7
263.05838	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	263.0548
Annotation	SCHEMBL12484718
Peak:m/z	Relative Intensity
51.02379	1.1
51.15833	1.1
55.01859	3.3
55.05497	2.6
58.42821	0.9
65.03912	3.2
66.85855	1.0
67.05486	3.4
68.99770	3.6
69.03416	3.1
70.86783	3.1
71.05285	0.9
72.09039	1.0
78.28866	1.0
79.01839	2.4
79.05465	2.5
81.03345	1.1
83.04978	8.2
84.67239	1.0
87.60046	0.9
91.05470	8.8
95.04906	1.3
97.02890	12.3
103.05433	4.8
105.03344	1.5
105.07021	10.7
105.49057	1.0
108.38445	1.0
111.04440	7.9
115.05444	30.3
117.07017	17.2
118.00913	1.1
119.04951	6.5
125.02359	12.4
127.05404	3.7
131.04895	2.8
133.02818	3.5
133.06493	13.1
139.03888	4.3
143.04910	8.2
144.05667	1.6
145.06473	56.4
146.50984	1.2
147.04393	10.3
151.03860	4.0
153.00661	1.9
153.01816	20.7
155.04886	6.6
155.06056	3.5
159.04416	2.8
161.05978	32.3
163.03848	2.0
165.05438	2.4
171.04393	15.5
173.05968	64.9
174.06369	1.3
175.03885	10.2
177.05461	1.4
179.03403	5.6
179.07034	11.3
181.01306	100.0
183.04367	6.8
189.05453	39.3
189.07191	1.5
191.03415	1.8
191.07008	7.9
193.04951	15.2
195.02803	2.4
197.00862	2.4
199.03882	10.2
201.05455	91.6
203.03329	7.0
207.02893	6.9
207.06468	12.5
217.04951	58.2
218.05244	1.1
219.06511	72.3
221.04454	16.4
223.02362	5.1
227.03339	1.8
235.05989	30.5
245.04463	22.4
263.05499	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	262.2164
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05490	1.3
57.07088	0.8
58.06591	1.4
60.46414	0.5
61.81724	0.5
67.05476	0.7
69.07043	1.6
70.06573	0.8
70.48273	0.4
70.53824	0.5
71.46008	1.1
72.08129	1.6
72.64796	0.5
75.48130	0.5
76.90025	0.5
79.05457	0.9
81.07041	1.3
84.44299	0.5
91.05475	4.0
93.07041	2.7
94.06570	1.2
95.08596	1.8
96.08103	2.1
96.08867	0.5
96.57410	0.5
105.07024	5.2
107.08567	2.3
109.10138	0.9
112.11211	0.6
117.07037	0.8
119.08569	3.0
121.10132	1.4
126.86917	0.6
129.06947	0.8
131.08559	3.2
133.10089	1.7
135.11661	0.8
143.08609	0.6
145.08913	0.9
145.10110	3.9
147.11687	4.9
149.13295	1.1
157.10083	1.1
159.11705	2.0
160.11160	0.8
161.13246	1.5
162.09149	0.6
171.11694	1.8
173.13277	1.0
185.13202	1.0
186.12759	1.8
187.14853	4.1
188.14343	1.1
190.15985	0.8
199.04521	0.6
200.14352	1.6
201.15071	1.6
202.15886	1.3
203.17899	2.5
205.15849	0.9
213.35741	0.5
216.17398	0.8
220.16844	0.7
227.17992	1.2
229.18222	2.0
244.20602	54.2
245.20938	1.3
257.89432	0.6
262.04269	0.7
262.14243	1.6
262.21649	100.0
263.22070	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49850	0.7
53.03931	3.3
55.01866	1.0
55.05507	14.5
57.03413	0.9
57.07069	4.5
59.48883	0.7
65.03938	2.2
67.05500	45.5
69.07064	13.1
70.01028	4.3
71.04977	2.4
71.08608	1.9
73.42499	0.6
77.03922	1.1
79.05486	58.1
81.07049	52.3
83.04972	1.1
83.08605	8.3
84.04517	1.1
85.06516	3.6
86.09710	1.6
91.05472	32.5
93.07036	81.5
95.04967	5.7
95.08596	36.6
95.09208	1.7
97.06511	3.6
97.10152	2.9
98.20779	1.2
99.08076	3.7
105.04518	1.5
105.07027	20.3
107.08583	53.6
109.06505	3.0
109.10147	15.5
111.08068	3.5
111.11707	1.1
113.09628	1.7
117.06999	9.0
119.06116	0.8
119.08559	17.1
120.63451	0.8
121.10133	43.0
123.08040	2.1
123.11726	5.4
125.09615	1.7
129.07056	1.0
130.07733	0.8
131.08548	17.1
133.09177	1.3
133.10123	14.5
135.08022	0.8
135.11681	35.6
137.09630	1.8
137.13208	1.7
145.10114	14.5
147.11671	11.5
149.09578	1.0
149.13245	30.6
153.12636	1.2
159.11688	11.0
161.13258	11.8
163.11151	0.8
163.14804	22.9
165.12706	1.4
173.13249	11.5
175.14859	5.2
175.41940	0.8
177.16364	4.7
179.14343	1.9
187.14862	6.9
201.16396	4.0
205.05078	1.3
215.17928	1.7
217.19507	1.1
219.17555	0.8
233.04404	0.9
233.22691	1.7
243.21072	33.0
243.23592	1.8
261.03998	4.7
261.22119	100.0
262.22412	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	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	2.6
55.01860	0.7
55.05508	12.8
57.03418	1.8
57.07066	4.8
58.07107	0.6
65.03931	2.1
67.05499	42.2
69.06700	0.8
69.07062	13.3
69.62499	1.3
69.62920	3.6
71.04972	2.6
71.08617	1.9
73.50123	0.6
77.03920	0.8
78.92493	0.6
79.05485	57.8
80.05801	0.9
81.07048	50.3
82.07375	0.7
83.04948	0.9
83.08607	7.2
85.06536	4.4
90.03876	0.6
91.05473	28.3
93.07038	72.7
94.07344	1.0
95.04971	4.6
95.08595	36.9
97.06544	4.2
97.10154	2.0
99.08109	3.2
105.06344	1.3
105.07018	19.1
107.08586	49.3
108.08898	0.6
109.06518	3.6
109.10139	13.5
111.08073	2.8
113.09644	1.2
117.07027	6.2
119.08562	15.2
121.10133	45.5
123.08062	2.1
123.10872	0.8
123.11681	5.4
125.09653	1.3
131.08563	14.0
133.10121	14.2
135.11681	34.9
136.11964	0.9
137.09599	1.7
137.13255	2.3
139.11147	0.9
145.10098	13.0
147.11673	12.4
148.09987	0.7
149.09599	0.9
149.13243	27.5
151.11169	1.1
153.12718	1.1
154.77286	0.7
159.11671	11.9
161.13245	11.3
163.14803	20.2
165.12778	0.7
173.13245	11.6
175.14819	5.2
177.12698	0.7
177.16374	5.6
179.14296	2.2
187.14795	8.1
189.16371	0.9
191.14247	0.7
201.16408	3.1
205.15953	0.9
215.17934	2.1
217.19485	0.6
219.17354	1.1
233.22632	1.2
243.21069	32.8
261.22122	100.0
262.22440	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03943	3.7
53.04155	0.5
55.05508	13.3
57.03418	1.9
57.07068	4.7
60.75579	0.6
65.03921	1.3
67.05499	43.8
69.07065	12.8
69.46921	5.8
70.00042	0.6
71.04955	2.3
71.08624	1.8
79.05488	66.8
80.05837	0.9
81.07053	51.3
83.04987	0.7
83.08612	8.6
85.06530	4.0
89.41068	0.6
91.05473	30.9
93.07040	78.6
95.04954	5.6
95.08601	38.3
95.09121	0.5
97.06514	3.9
97.10162	3.1
99.08070	1.8
105.04520	1.0
105.07026	20.8
107.08587	49.7
108.08870	0.8
109.06486	2.7
109.09431	1.2
109.10147	16.1
111.08099	3.2
113.09639	1.3
117.07009	8.0
119.08572	16.3
121.10137	43.0
123.08059	1.8
123.11687	4.9
125.09611	0.8
129.06956	1.2
130.07758	0.6
131.08559	17.5
133.10118	14.0
135.07947	0.7
135.11684	36.2
137.09612	1.5
137.13254	2.4
139.11133	1.1
143.08604	0.7
145.10115	15.5
147.11676	12.4
149.09644	1.2
149.13248	29.0
151.11119	1.1
151.14842	1.1
153.12779	0.7
159.11681	11.3
161.13257	13.7
163.14821	20.8
163.16208	1.1
165.12813	1.3
171.11607	0.8
171.85762	0.7
173.13251	10.6
175.14815	5.2
175.16122	1.0
177.16342	4.7
179.14343	1.7
187.14832	7.5
189.16357	0.9
192.81303	0.6
196.74899	0.6
201.16411	3.7
205.15884	1.0
205.47563	0.7
215.17941	2.5
233.22653	1.4
243.21068	34.4
261.03906	1.1
261.22128	100.0
262.21854	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73742	0.7
53.03936	4.9
53.49785	0.9
55.01858	1.6
55.05508	14.2
57.03427	1.4
57.07053	4.0
65.03931	1.3
67.05501	37.8
69.06741	1.4
69.07062	11.6
70.54383	0.9
71.04974	2.2
71.08621	1.4
71.47948	1.9
77.03940	1.2
79.05490	54.0
81.07052	45.3
83.08618	6.4
85.06551	4.8
91.05475	29.9
93.07040	80.0
95.04960	5.4
95.08598	35.7
97.06519	3.8
97.10160	3.2
99.08063	2.6
102.89781	0.8
105.04493	1.1
105.07019	18.1
107.04952	0.9
107.08585	47.0
107.22108	0.8
109.06496	2.7
109.10149	15.8
111.08062	3.2
113.09650	1.4
115.05451	0.8
117.07014	6.4
119.08579	15.3
121.10134	40.9
123.08043	2.0
123.11691	4.4
125.09650	1.2
131.07652	1.5
131.08557	13.4
133.10114	10.1
135.11684	35.5
137.09605	2.2
137.13266	1.1
139.11137	1.0
145.10114	14.4
147.11679	10.7
149.13243	28.2
151.11224	1.1
151.14836	1.1
153.12706	1.0
159.11679	11.0
161.13231	11.6
163.14813	19.1
165.12837	1.4
173.13277	11.5
175.14798	6.2
177.16339	6.0
179.14282	2.0
187.03670	1.0
187.14783	8.3
189.16483	1.6
199.05339	1.0
201.16383	3.1
205.15855	1.6
215.18013	2.0
233.22646	1.6
243.21071	31.3
261.03906	4.0
261.22131	100.0
262.21768	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03942	2.7
55.05507	10.9
57.03431	2.1
57.07054	3.9
65.03915	2.6
67.05501	43.3
69.07060	10.6
71.04991	2.1
71.08622	1.7
71.32802	1.4
71.37707	1.3
71.71911	2.3
71.72306	2.1
78.25069	1.4
79.05033	3.0
79.05486	53.3
81.07053	52.0
81.07544	2.0
83.04942	1.8
83.08614	5.7
85.06530	5.2
91.05470	25.5
93.07040	74.2
95.04961	6.2
95.08599	36.4
97.06518	3.2
97.10131	1.8
99.08077	4.0
101.48120	1.4
105.04560	1.8
105.07021	19.3
107.08584	48.9
109.06478	2.5
109.10149	12.9
111.08073	2.2
117.07011	7.6
119.08578	19.1
121.10136	39.1
123.07983	1.6
123.11662	3.4
131.08554	14.6
133.10121	11.2
135.11690	31.9
145.10115	14.0
147.11685	12.0
149.13249	24.5
159.11710	10.4
161.13240	14.7
163.14816	19.1
165.12679	1.7
173.13228	11.5
175.14790	4.1
177.05501	1.8
177.16344	6.6
179.14336	2.3
187.14819	7.9
201.16406	3.2
205.04947	4.1
233.04535	2.3
243.21082	36.5
246.11192	1.6
261.03961	5.7
261.22141	100.0
262.14343	6.1
262.22559	2.1
280.85281	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	261.1443
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
51.39759	0.3
56.05033	2.5
65.27374	0.4
69.07062	1.5
69.19044	0.4
70.81908	0.5
70.82243	0.9
84.04498	68.4
85.02895	0.9
86.06062	2.8
86.09698	100.0
86.67579	0.4
94.77422	0.4
96.04488	0.6
102.05533	1.7
114.05527	2.3
120.18809	0.4
130.04991	10.6
132.10193	49.8
142.04987	5.4
149.48460	0.4
152.10648	1.8
163.71193	0.4
169.08592	2.8
170.11684	1.0
198.11250	10.2
243.13423	0.7
244.11755	9.3
261.14450	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	261.058
Annotation	Suprofen
Peak:m/z	Relative Intensity
50.55989	1.7
56.96540	3.4
70.09775	3.6
70.10192	6.4
84.04427	1.7
85.02924	2.4
86.09660	3.2
98.97572	3.0
113.03471	3.8
116.98543	2.4
118.61413	1.8
119.01861	2.7
132.95818	2.8
171.02600	4.9
174.84836	1.9
201.03696	2.7
229.03177	31.4
243.04713	6.5
261.05811	100.0
261.09073	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	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.6
71.69407	0.3
81.07054	0.4
84.96013	0.4
98.97571	5.9
101.00868	1.0
110.97572	0.3
116.98612	6.6
119.01112	0.6
119.01913	8.8
119.08604	0.3
120.01975	0.5
120.97874	0.4
121.10101	0.3
128.98624	0.5
134.99644	5.3
137.02950	3.0
142.03534	0.5
143.00093	0.5
145.10147	0.3
146.99614	0.6
153.00755	1.3
158.99779	1.2
161.01271	0.6
161.02924	0.8
170.99588	0.4
173.01306	0.3
177.00932	16.6
178.01015	1.2
179.00728	1.5
182.99916	0.5
189.00787	0.4
189.02394	0.5
191.02219	0.3
193.04030	0.4
195.01933	0.5
195.40526	0.3
200.02499	0.6
201.00871	1.3
201.02504	0.3
207.01817	0.3
217.03999	2.4
218.03549	0.8
219.01985	25.6
220.02086	2.0
221.01759	5.0
222.01895	0.6
225.00821	2.1
236.95341	0.3
237.02826	1.4
237.98669	1.2
238.01096	0.4
238.98355	0.5
242.03526	0.7
243.01962	8.7
244.03691	0.3
260.04538	0.3
261.03033	100.0
262.03156	4.6
263.03601	0.3
266.03607	0.7
275.04651	0.6
278.97037	0.6
279.00385	4.0
279.08966	0.4
284.04648	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	259.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.05503	15.8
57.07072	8.0
65.47387	1.3
65.77480	1.3
67.05499	22.1
69.07064	28.5
70.55644	1.1
71.08623	2.4
71.09284	3.0
79.05478	9.8
81.07049	60.5
83.08614	14.8
91.05470	11.4
93.07035	28.3
95.04956	4.2
95.08597	63.0
96.08909	1.7
97.06523	1.3
97.10171	6.6
105.03387	18.4
105.07027	23.7
107.08584	40.6
109.06513	1.2
109.10146	42.4
111.11713	2.8
117.06964	1.8
119.08572	31.2
121.10136	34.1
123.10789	2.2
123.11689	42.4
129.01822	1.9
133.10117	25.7
135.11673	23.3
137.06017	2.0
137.13239	14.9
145.10127	3.5
147.11684	22.2
149.13239	23.7
151.14789	5.8
153.06946	1.3
156.69061	1.4
159.11670	5.2
161.13246	17.9
163.14799	18.6
165.16379	3.6
171.11696	2.3
173.13232	3.0
175.14804	14.9
177.16406	9.6
181.06494	3.1
185.13229	1.6
189.16351	27.5
191.17982	1.6
203.17938	31.2
217.19511	4.6
259.11203	5.1
259.17084	3.2
259.20642	6.9
259.24197	100.0
260.24487	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05516	12.1
60.32058	2.9
67.05489	10.7
68.78693	2.5
69.07067	38.0
70.67706	5.0
70.68078	4.4
71.04993	25.5
75.77154	2.5
79.05480	8.5
81.07045	22.8
83.04951	6.7
83.08598	8.2
85.06535	31.4
91.05475	9.6
93.07028	14.5
95.04914	4.0
95.08597	17.7
96.04206	2.3
97.06502	4.8
105.03351	2.4
105.07026	29.5
107.08582	20.4
109.06491	8.8
109.10143	16.6
111.08060	8.9
115.04721	2.3
115.05459	2.7
117.06989	9.4
119.08569	51.7
120.09398	3.1
121.10127	12.9
123.08045	3.4
123.11703	23.8
129.07018	4.4
131.08568	14.0
131.09416	3.1
133.09204	3.0
133.10123	35.4
135.08044	16.6
135.11693	7.4
137.09625	5.9
142.07747	3.7
143.08545	10.8
144.09332	3.1
145.10109	39.6
147.11656	17.5
149.13208	3.4
151.11172	4.0
156.09346	4.8
157.10133	15.4
159.11678	36.3
160.12437	3.4
161.09520	2.8
161.13252	32.9
163.11203	2.9
170.10825	2.3
171.11678	13.4
173.13242	12.4
174.22702	2.4
175.11192	2.4
175.14812	89.2
176.15536	6.9
177.12689	4.7
177.16319	5.4
185.13260	14.8
189.12723	4.7
189.16322	4.6
190.13487	3.6
191.14435	3.3
199.14787	6.0
201.16371	26.4
203.14325	10.3
205.14784	2.5
215.17984	6.5
217.19383	6.2
241.19444	18.2
259.20557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1691
Annotation	Gymnasterkoreayne B
Peak:m/z	Relative Intensity
55.05500	5.0
65.03927	1.3
67.01842	3.0
67.05497	5.0
68.75715	1.0
69.03415	2.6
69.07063	6.4
70.31638	2.1
70.32052	3.9
72.52411	1.0
75.04256	1.0
79.05492	7.3
81.07046	20.3
83.08578	2.4
91.05470	4.9
93.07050	7.1
95.08605	6.4
97.10136	1.8
98.20773	1.2
105.07000	3.3
107.04947	11.7
107.08596	5.5
109.06503	30.5
109.10143	8.6
117.07040	2.0
119.08549	2.0
121.06500	9.9
121.10143	2.6
123.04432	1.8
123.08099	1.7
123.11680	19.8
131.08546	1.4
133.06471	1.9
135.04370	7.3
135.08043	3.8
135.11681	7.6
137.05965	100.0
138.06364	1.2
143.08524	2.0
145.06502	1.7
147.08015	4.2
149.05984	6.1
149.09581	2.3
151.07529	9.4
153.05444	1.6
159.08038	1.9
161.06010	6.8
161.09569	2.0
163.07526	12.0
171.08026	2.6
174.06834	2.9
175.07527	11.1
177.09074	9.7
185.09581	3.0
188.08353	2.5
189.09071	11.9
191.10617	2.1
194.02145	1.2
199.11169	1.7
203.10626	8.7
217.12320	2.4
241.15807	5.0
259.16922	77.2
259.28320	1.4
260.17245	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01873	4.2
55.05504	5.8
56.05029	44.8
58.99580	15.9
60.04525	1.2
61.01142	2.9
62.32269	0.6
67.05508	0.8
68.05026	8.0
69.05803	0.8
70.02947	6.9
70.06565	0.8
70.99572	4.4
71.05066	0.6
71.05447	1.6
73.01118	2.2
74.00656	2.5
74.02439	3.3
75.59624	0.6
76.02225	2.3
76.03986	6.4
79.05483	11.9
80.05007	6.0
81.05780	2.3
81.07051	8.0
82.06575	2.3
83.08597	1.2
84.04495	9.2
84.08130	2.8
84.76655	0.6
85.01119	20.9
86.00644	14.7
86.99040	7.7
87.02680	7.9
88.02197	4.3
88.03966	0.7
91.05482	1.2
93.05762	0.8
93.07039	2.0
94.06561	6.5
95.04953	0.8
95.07329	1.8
95.08585	1.9
96.08114	6.6
97.01109	6.2
97.08897	0.8
98.09681	77.7
99.02670	1.0
99.05566	2.1
99.10027	0.8
100.02225	0.9
100.03973	0.6
102.03732	1.3
102.05523	14.8
105.07019	2.3
107.07326	0.8
108.08109	6.8
109.08882	1.9
110.08968	1.0
110.09667	14.7
111.02679	0.9
112.03956	9.9
113.04217	32.7
114.03780	3.7
114.04504	0.7
114.05515	2.1
115.05783	1.4
116.01667	30.7
116.03427	1.0
116.05098	0.5
122.09649	8.8
123.10426	2.7
130.05009	8.4
130.06862	8.4
130.08629	6.0
133.07681	0.8
139.05757	2.4
143.02734	4.5
144.01118	6.9
145.06068	6.3
156.08418	54.6
156.10196	57.5
158.07132	0.8
162.02177	8.1
170.07175	3.3
177.03246	0.7
184.07886	1.2
188.03781	2.0
188.08197	9.2
189.03305	5.3
213.10597	1.6
214.06075	4.6
216.06842	17.5
231.06470	0.9
232.07162	9.1
239.66776	0.6
242.08466	4.1
259.08279	32.0
259.11127	100.0
260.11444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0964
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
52.10362	0.7
53.03926	0.9
56.07726	0.9
65.03916	1.3
68.99767	4.4
69.77386	3.4
69.77814	2.8
79.05478	4.7
81.03441	0.9
81.07050	2.2
91.05474	57.7
93.07023	1.0
95.04957	2.5
103.05448	9.2
105.03376	4.3
105.07026	44.1
107.04952	10.3
109.02853	1.1
109.06503	2.0
115.33727	0.9
117.07059	1.8
121.02824	0.9
123.04400	2.3
125.96372	1.0
128.06256	1.0
129.06982	3.7
129.63165	0.9
130.46126	0.8
131.04933	3.1
133.10068	1.1
135.04407	55.9
137.05971	13.9
141.06958	1.7
143.08534	3.6
145.10071	2.2
147.07922	1.0
147.46533	0.8
150.03082	1.6
152.06213	2.8
153.06969	2.0
157.10112	1.5
163.03894	100.0
165.06943	2.9
167.08560	7.7
168.94083	0.8
169.06612	0.9
169.10135	1.2
171.08008	2.7
177.06963	2.0
178.07767	2.5
178.37881	1.0
179.08533	3.6
181.04950	3.7
181.06476	2.2
182.07285	1.8
185.09624	1.3
188.85646	0.9
195.08038	7.2
199.07552	2.9
213.09103	12.2
215.10645	5.0
223.07539	8.9
226.06276	1.4
241.08578	82.1
242.09012	1.2
259.09647	19.8
259.17099	1.0
259.20557	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	259.0963
Annotation	Murrayone
Peak:m/z	Relative Intensity
55.05496	2.0
56.96549	1.5
57.03408	1.1
57.07059	1.6
59.04999	4.2
59.40676	0.8
67.05482	0.8
68.99780	1.1
69.03425	100.0
69.07055	1.2
69.64026	0.9
71.08612	2.4
74.36523	0.7
79.05480	1.8
81.03439	0.9
81.07030	1.7
83.04964	3.5
85.02894	2.6
87.04462	21.7
91.05464	3.2
95.08597	1.7
97.02879	3.4
97.06512	1.9
98.21497	1.7
98.97575	5.2
102.97892	0.8
103.05455	7.7
105.07013	21.7
107.04912	1.5
107.08614	0.9
111.04428	0.9
115.03909	2.1
116.98606	2.4
118.96925	0.9
119.08577	2.0
121.10159	1.1
123.07259	0.8
126.11062	0.8
126.57472	0.9
128.06117	0.9
128.98541	1.0
131.04915	31.9
131.05911	1.5
131.08572	1.8
132.67775	0.7
133.10065	1.4
134.99651	1.7
143.00218	1.7
143.08513	1.2
144.64954	0.8
145.06445	0.9
145.10062	1.1
146.99619	1.0
147.04401	1.2
155.03387	33.6
155.18660	0.8
157.06471	1.0
157.10159	1.7
158.99634	1.7
159.11482	0.8
161.01218	1.2
171.11623	1.1
173.04448	69.3
173.13127	1.0
195.08015	7.2
199.14825	1.6
213.08958	0.9
219.01660	1.3
237.02812	1.4
239.10416	6.4
241.08611	3.4
241.19586	1.3
248.10849	1.6
249.02843	1.1
259.05920	1.1
259.06613	1.2
259.09656	21.6
259.12848	1.0
259.16946	1.4
259.20609	3.2
259.24335	1.3
259.61703	3.2
260.10092	1.1
267.03741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	2',4',6'-Trihydroxydihydrochalcone
Peak:m/z	Relative Intensity
53.03939	0.8
55.01849	0.5
55.05496	0.7
55.28595	0.4
57.07047	0.4
57.91247	0.4
59.56025	0.4
61.71544	0.4
67.05493	0.5
68.99792	5.4
69.03416	0.7
69.07057	0.8
71.01318	0.4
71.70733	0.8
79.05492	3.6
81.03434	1.2
81.07050	1.1
84.19578	0.5
91.05476	19.6
93.07049	1.0
95.04942	1.1
95.08612	1.1
97.02874	0.8
97.06514	1.1
99.04455	1.1
103.05474	1.8
105.07023	100.0
106.07373	1.2
107.08602	0.6
109.02882	1.2
109.10146	0.7
111.00790	9.9
119.08582	1.6
121.10149	1.0
127.03908	96.2
128.04231	0.7
129.07002	1.4
131.08577	1.6
133.06497	3.6
139.11284	0.5
143.08574	0.8
145.10159	0.6
146.09650	0.6
147.11661	0.6
157.06564	0.6
157.10095	1.3
159.11745	1.0
161.13255	0.5
163.03949	0.6
171.11714	0.6
175.07529	3.5
175.14841	0.8
199.07509	0.8
199.14828	1.0
213.16328	0.6
217.08539	0.7
259.06085	0.9
259.09671	4.9
259.16953	1.1
259.20563	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0962
Annotation	2',4',6'-Trihydroxydihydrochalcone
Peak:m/z	Relative Intensity
53.46053	0.4
55.01853	0.5
65.03931	1.7
68.99787	1.1
75.42119	0.4
75.54545	0.3
79.05484	0.9
91.05471	100.0
92.05814	0.8
103.05453	1.1
104.91398	0.4
105.07020	77.6
106.07347	0.8
106.16637	0.4
107.04948	0.5
111.00801	2.2
111.04430	3.0
115.05466	2.2
123.04400	0.7
127.03906	6.1
128.06264	0.6
129.07080	0.4
131.08559	1.1
133.06473	12.0
139.03903	1.7
143.08522	0.7
146.09641	0.5
151.03899	1.3
153.01823	1.5
154.02136	0.5
155.03381	3.6
155.08537	0.9
157.06502	3.1
163.03947	1.2
166.14400	0.4
167.08611	0.7
171.08040	3.3
175.03886	0.5
175.07492	0.6
180.78831	0.4
181.04961	0.4
181.06438	0.6
182.71454	0.3
199.07529	8.6
199.09302	0.7
201.05446	2.8
213.09146	0.7
217.08597	1.1
223.07544	0.4
229.47311	0.5
241.08582	3.2
243.45607	0.4
259.09650	17.9
260.10007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
54.08501	1.3
55.05505	6.0
57.07060	3.4
67.05489	5.0
69.07057	4.2
71.04980	4.0
72.08144	3.5
73.66676	1.3
76.46024	1.4
77.91049	1.2
79.05482	6.8
81.07037	4.4
83.04969	4.6
83.08603	2.5
85.06520	4.1
90.09189	2.6
91.05467	14.2
93.07035	12.3
95.04945	4.4
95.08589	11.5
97.06499	2.1
99.08043	1.3
103.05442	5.2
105.07026	21.8
107.05002	1.5
107.08585	13.8
109.06518	7.0
109.10133	9.1
111.04430	34.8
111.08060	2.2
112.04705	1.3
115.05460	2.6
117.07022	4.8
119.04939	16.0
119.08569	18.4
121.10134	50.8
123.08047	5.1
123.11649	1.5
128.06206	3.8
129.06996	3.6
131.04913	5.6
131.08546	12.6
133.10098	9.9
135.08037	12.5
135.11644	3.3
137.09590	5.6
141.06985	3.2
142.07745	6.3
143.08546	15.2
144.09309	3.4
145.10112	20.3
147.04393	49.9
147.07948	1.4
147.11671	4.6
148.04810	1.6
149.09636	4.6
151.11168	2.0
153.01860	12.0
153.06973	2.3
155.08560	5.0
156.09325	4.7
157.10114	23.6
158.10893	6.0
159.08012	1.9
159.11694	27.3
160.12434	1.4
161.09605	3.1
161.13243	2.5
163.11185	2.3
167.08614	1.5
168.09387	3.1
169.10144	11.0
170.10832	1.7
171.11699	13.0
173.05923	1.9
173.09615	2.9
173.13235	30.4
174.14038	3.2
175.11180	2.7
175.14853	3.9
182.10979	2.4
183.11690	12.5
184.12459	4.1
185.13284	2.9
186.44000	1.4
187.11153	7.9
187.14783	4.7
188.11964	1.6
189.12646	2.0
196.12634	1.4
197.13196	9.9
197.47418	1.4
198.14003	2.2
199.14786	31.5
201.12726	8.9
209.13144	1.9
211.14714	2.1
213.16379	12.0
214.17154	3.3
215.14281	3.6
215.17963	8.7
224.15556	3.4
229.19548	1.4
239.17947	15.7
257.08163	12.2
257.18991	100.0
257.26550	3.0
258.19321	4.4
258.27917	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	257.0807
Annotation	Aloe emodin anthrone
Peak:m/z	Relative Intensity
53.03946	0.4
53.83427	0.3
55.01886	0.9
56.96578	0.4
67.05511	0.4
68.99784	5.8
69.00140	0.3
69.07090	0.3
71.23481	0.5
71.23836	0.5
91.05506	0.9
94.17641	0.3
95.04980	0.5
98.97599	0.5
103.05470	0.3
105.03387	5.4
107.04951	1.3
107.08645	0.3
109.10153	0.3
115.05492	0.9
116.98651	0.4
118.28293	0.3
119.08572	0.3
123.04481	1.3
128.06230	0.8
129.07043	0.6
131.04930	0.7
133.02878	1.4
137.02388	0.4
141.06982	9.3
141.13017	0.3
143.08559	1.1
147.04398	0.3
152.06207	1.1
153.01793	2.1
153.06999	2.6
154.07736	0.5
155.08540	3.6
163.03952	0.5
165.06990	20.3
166.07527	0.3
167.08588	0.8
168.05733	0.4
169.06482	6.1
171.02917	0.5
171.08057	3.7
177.07021	0.3
181.06490	0.7
182.07266	0.6
183.08043	5.2
187.07513	0.3
193.06400	3.7
193.59999	0.3
194.07126	0.6
197.05968	7.2
197.13229	0.3
210.06703	0.9
211.07532	19.1
212.07942	0.4
215.07092	0.5
221.05836	1.9
229.08563	2.3
239.07011	100.0
240.07352	2.4
244.55751	0.4
257.08066	11.5
257.26633	0.3
262.70810	0.3
273.07559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0805
Annotation	cis-3,4-Phenanthrenedihydrodiol-4-carboxylate
Peak:m/z	Relative Intensity
51.02373	1.3
53.03933	1.8
55.01867	6.8
55.05493	5.7
57.03428	1.3
57.07061	1.7
65.03922	2.2
67.05490	4.1
69.03424	9.2
71.04964	1.3
71.70235	2.0
78.00977	1.2
79.05470	3.6
81.07046	2.0
83.04969	8.9
89.03934	1.9
91.05466	8.0
93.07035	1.6
95.04954	4.9
95.08590	3.6
97.02892	13.1
97.60902	1.6
99.04452	2.2
103.05458	3.1
105.07018	3.7
107.04944	13.2
109.10159	2.0
111.04423	5.4
115.05431	7.9
117.07029	2.4
119.04933	8.7
121.02881	9.8
121.10119	2.1
123.04457	2.6
128.06190	4.9
129.06946	6.1
131.04921	22.2
131.08559	4.7
133.06491	2.2
133.10048	1.8
135.04382	4.2
135.11638	1.2
138.97093	1.1
140.71523	1.3
141.06998	15.8
142.07750	5.0
143.08553	2.0
144.05656	5.3
145.02797	1.4
145.06480	7.0
145.10063	4.1
147.04381	18.0
152.06183	13.5
152.07202	1.4
153.01787	1.8
153.06964	5.9
155.08537	8.4
157.06465	12.2
157.10136	3.3
158.07283	1.6
159.04379	8.2
159.08020	7.1
160.05174	2.9
161.05934	2.5
165.06981	25.5
166.07738	1.9
167.08530	10.9
168.05698	5.6
169.06459	19.9
169.07777	1.8
170.07228	7.8
171.04356	3.3
171.07941	2.2
173.02296	1.7
173.05913	2.1
175.03900	15.5
177.05496	2.7
181.06500	1.9
183.08032	13.1
185.06010	12.5
185.07542	1.6
185.07851	1.6
185.09602	18.9
186.06642	1.7
187.03922	2.5
187.07510	14.2
191.03366	10.8
193.06442	2.5
195.08046	9.2
197.05957	34.4
197.07642	2.5
198.06694	2.1
199.03889	23.5
201.09085	3.4
211.07530	28.6
211.09422	2.5
213.05461	1.7
213.09088	22.2
213.10992	2.4
214.06190	1.7
215.06992	15.4
229.08556	17.8
239.07021	32.1
256.26328	1.6
257.08075	100.0
257.18970	3.9
257.22629	1.9
257.26602	2.7
258.08374	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0807
Annotation	cis-3,4-Phenanthrenedihydrodiol-4-carboxylate
Peak:m/z	Relative Intensity
52.04657	1.0
55.01868	5.3
55.05505	6.0
65.03931	2.4
67.05488	2.4
69.03427	17.2
71.29182	1.4
71.29488	1.3
79.05475	1.6
80.15488	0.9
81.03383	1.0
83.04973	10.3
91.05482	8.6
95.04929	3.5
95.08587	1.4
97.02890	24.7
99.04443	4.3
103.05473	1.8
105.07024	2.1
107.04949	12.3
111.04408	5.3
115.05436	3.4
117.07016	2.0
119.04933	9.3
119.08568	0.9
121.02096	1.0
121.02869	12.8
123.04398	3.7
128.06203	3.6
129.06982	4.0
131.04916	16.3
131.08556	2.8
133.06490	1.6
135.04381	4.0
137.69278	1.1
141.06975	8.8
142.07732	2.5
144.05695	6.1
145.06479	5.8
145.10063	1.2
147.04405	23.8
151.03909	1.0
152.06186	8.6
153.06969	5.4
155.08557	6.8
157.06514	6.5
157.10059	1.3
158.07291	1.8
159.04417	11.8
159.08022	5.7
160.05225	4.8
161.05971	4.8
165.06985	22.3
166.07713	2.9
167.08559	10.0
168.05705	1.8
169.06445	10.5
169.07559	1.1
170.07230	6.8
171.04323	1.5
171.08072	2.4
173.06012	1.9
173.09608	1.9
175.03903	19.9
177.06995	1.6
181.06555	1.6
182.07236	0.9
183.08063	14.9
185.05988	3.7
185.08090	1.8
185.09590	10.7
186.06833	1.3
187.07516	16.2
193.06540	1.2
195.08063	7.1
197.05943	13.9
198.06740	3.3
199.03874	3.4
201.09134	4.1
211.07527	24.2
213.09082	16.2
214.06158	1.3
215.07022	15.3
229.08572	14.8
239.07005	22.5
257.08069	100.0
258.08493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0805
Annotation	Montroumarin
Peak:m/z	Relative Intensity
52.47204	1.2
54.16044	1.0
55.01868	3.1
55.05494	4.1
55.87168	1.1
60.43864	1.0
62.65151	1.1
65.03936	1.4
66.47627	1.1
67.05475	1.9
69.03430	15.6
71.04973	1.2
71.29748	2.2
71.30074	1.4
79.05471	1.3
81.07016	1.9
83.01353	1.2
83.04972	11.7
84.99728	1.2
91.05476	8.6
95.04979	2.8
97.02883	21.2
99.04444	4.6
103.05464	4.7
105.07016	2.7
107.04957	10.9
107.62897	1.2
111.04421	4.6
115.05460	3.5
117.07015	1.8
119.04939	9.4
121.02850	10.3
123.04408	4.1
129.06981	3.2
131.04916	22.3
131.08560	2.7
133.06496	2.7
135.04431	2.8
141.06985	9.2
142.07751	2.3
143.08496	1.6
143.63223	1.3
144.05699	5.4
145.06438	6.4
147.04404	22.2
152.06180	8.7
153.01813	11.8
153.06944	4.2
155.08565	7.1
157.06499	7.5
158.07225	2.0
159.04417	11.8
159.08020	5.8
160.05162	4.1
161.05904	2.8
165.06992	17.9
166.07748	2.2
167.08528	7.3
168.05688	2.9
169.06480	9.4
170.07248	4.8
171.02928	1.4
171.05659	1.2
171.08032	1.7
173.05930	2.1
173.09601	1.6
175.03893	16.2
182.07246	1.2
183.08049	11.7
183.50395	1.1
185.05966	3.5
185.09616	10.5
186.06755	1.7
187.07529	15.6
195.08017	4.4
197.05962	12.4
198.06763	2.8
199.03920	2.1
201.09067	4.1
211.07524	26.7
213.09116	14.3
214.06218	1.9
215.06966	14.9
221.06055	1.2
229.08560	16.0
239.07001	19.4
257.08072	100.0
258.08356	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	257.0807
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
53.03933	1.4
55.01870	6.2
55.05496	2.7
58.20266	1.3
67.01860	2.7
67.05499	2.7
68.99777	1.8
69.03426	7.4
69.07058	1.9
71.04968	2.6
71.70600	1.5
71.71021	1.3
74.14822	1.1
77.03918	1.5
79.05480	4.1
81.07026	2.6
83.01332	1.6
83.04979	6.1
89.03906	2.2
91.05489	7.5
93.07020	1.1
95.04993	1.9
95.08591	2.7
97.02884	8.4
97.80107	1.1
99.04438	2.9
103.05466	21.6
105.03373	1.5
105.07023	3.1
107.04979	7.1
111.04432	2.5
115.05459	5.8
117.07006	2.1
119.04929	3.3
119.08526	2.2
119.68297	1.4
121.02842	2.7
121.06492	1.4
123.04452	2.9
128.06197	2.3
129.07027	3.7
131.03986	2.3
131.04921	43.3
131.08591	2.9
135.04414	3.3
141.06989	10.6
143.04948	2.3
143.08511	1.5
144.05634	2.8
145.06464	4.1
145.10085	2.5
147.04430	7.2
151.03886	2.5
152.06172	4.5
153.01817	80.3
153.06996	4.7
155.08543	5.8
157.06496	5.6
158.07166	1.2
159.04353	4.7
159.08031	3.3
161.06033	1.3
163.03947	2.5
165.06996	15.7
167.08565	4.1
168.05655	3.4
169.06487	14.2
170.07216	1.6
171.02885	4.7
171.04329	2.7
171.08055	1.3
173.05923	3.3
175.03893	6.5
183.07988	8.0
185.05959	10.7
185.09598	4.6
187.03967	2.7
187.07507	8.8
191.03378	7.6
193.06406	2.0
195.08026	2.9
197.05971	28.4
197.13234	1.6
197.52919	1.3
198.06773	1.5
199.03905	23.4
201.09032	3.4
211.07527	17.9
212.08046	1.3
213.09175	6.2
214.06190	1.8
215.06992	11.5
215.18132	1.3
229.08537	9.9
239.06995	18.9
257.08081	100.0
257.19043	2.8
257.22617	2.4
257.26672	2.3
258.08466	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	257.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01872	0.4
57.07069	0.4
61.34971	0.3
67.01853	2.4
68.99773	1.6
69.03417	1.5
70.06587	0.9
71.72078	0.4
75.09378	0.3
79.01840	0.5
79.05479	3.2
83.01343	0.7
88.07607	0.8
91.05471	2.9
92.99750	0.4
95.04954	0.9
97.02874	0.6
102.09163	0.7
103.05457	23.5
105.03393	0.4
105.07013	0.5
107.04942	3.5
111.00804	1.0
117.07018	0.5
119.08575	0.3
123.04415	1.5
125.02323	0.9
131.04912	44.7
132.05276	0.4
141.37859	0.3
145.06442	0.6
147.07988	0.6
151.03920	2.1
153.01810	100.0
154.02185	0.8
171.02859	2.4
173.05994	2.4
179.03377	1.4
191.07051	0.9
195.59770	0.3
215.06929	1.7
239.07004	1.2
256.26346	2.2
257.08063	86.1
257.26678	3.7
258.08368	2.3
276.55197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0804
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
55.59553	0.5
67.01848	2.4
68.99783	1.9
69.03413	1.9
70.37968	3.0
79.05492	3.4
91.05463	2.5
91.30832	0.6
94.51810	0.6
95.04958	1.0
97.02897	0.9
103.05458	28.6
107.04929	3.0
108.67857	0.6
111.00748	1.1
123.04395	1.8
131.04912	45.7
132.05255	0.7
138.26833	0.5
151.03891	1.7
153.01811	100.0
154.02087	1.1
171.02916	2.1
173.05994	3.0
179.03366	1.3
180.67072	0.7
185.20807	0.5
215.07045	2.2
257.08060	66.0
258.08331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52297	1.7
53.85069	1.5
55.01851	6.0
55.08789	2.0
55.09980	1.9
56.73289	1.7
56.96570	2.5
57.03428	10.3
58.73475	1.6
58.99858	3.4
59.05001	3.0
61.02908	2.7
64.24264	1.8
69.03418	5.9
70.40727	1.8
71.01346	2.1
71.04969	2.1
71.70499	2.9
73.02914	4.2
74.36578	1.9
77.00893	2.2
80.05013	2.8
85.02910	9.2
87.04452	4.3
96.04459	2.3
97.02899	4.6
98.98473	3.8
100.02455	5.7
101.02372	4.9
103.03893	2.4
110.07131	3.5
114.05519	6.2
114.97913	1.8
115.02444	12.1
115.03918	5.2
117.03989	7.1
118.03489	4.9
119.01881	10.2
123.05542	4.8
124.03944	100.0
124.05844	5.5
129.01801	5.5
131.01932	4.2
133.03456	12.1
133.04955	4.6
135.05003	7.8
137.02925	4.3
140.05527	2.9
145.03421	11.1
152.07063	5.8
157.01320	5.3
158.06671	2.3
159.44853	1.8
161.02963	6.9
161.04425	5.5
163.04535	2.1
168.05077	4.1
169.03497	6.4
171.01366	5.3
173.03047	2.1
184.04597	6.2
187.04527	7.9
189.02406	4.6
189.03955	12.9
194.02931	1.9
203.05476	3.5
207.03429	3.9
210.02525	3.1
210.12486	2.8
212.04034	6.9
230.05112	3.4
233.01453	12.9
245.46439	1.8
251.02483	32.5
256.02997	26.2
256.12869	7.1
256.26361	20.2
257.03073	2.7
274.04047	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	255.159
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
53.03946	1.2
55.01859	2.9
55.05507	7.4
57.03426	1.8
57.07056	3.7
66.37817	0.8
67.01865	1.7
67.05490	4.0
68.99798	0.9
69.03400	2.6
69.07066	16.7
69.69527	4.3
69.69960	2.6
71.08620	5.4
79.05497	5.7
81.07050	11.5
83.04983	4.7
83.08595	3.6
85.06519	3.0
88.02201	1.4
91.05468	3.0
93.07041	10.7
94.92004	0.8
95.04944	1.7
95.08592	9.6
97.06512	3.7
97.10198	4.2
98.21497	1.5
98.98460	16.2
99.08069	3.8
100.64648	1.0
100.98840	1.5
101.02367	1.7
103.05447	3.3
105.07047	4.1
107.07919	1.6
107.08585	15.9
109.06485	3.9
109.10149	5.3
109.10796	1.0
111.08074	5.9
111.11683	2.1
115.05789	1.3
116.99474	1.2
117.07053	1.2
119.08548	3.4
121.06496	3.4
121.10142	15.7
123.08024	4.9
123.11667	2.0
125.05958	1.7
125.09577	1.1
129.07016	1.0
131.04916	2.4
131.08548	2.7
133.10080	1.9
135.08035	31.8
135.11676	4.3
136.08818	1.9
137.09601	2.4
139.07509	3.3
139.11148	2.4
141.07184	0.8
145.10138	2.2
147.04370	0.9
149.09583	8.2
149.13213	2.1
153.01775	5.6
153.07054	1.0
153.09108	0.9
153.12799	1.2
157.10068	1.2
158.09947	2.2
159.11653	1.5
163.07515	1.3
163.14833	9.0
167.14282	1.7
173.13252	5.2
177.12683	1.0
178.92671	0.9
181.06415	0.8
181.06886	0.9
181.08620	11.7
181.15846	1.2
191.14294	26.5
191.17990	1.1
192.15019	1.5
193.12376	1.1
193.15880	3.6
195.08031	1.0
195.13785	27.0
201.16399	1.0
209.15363	12.6
219.13797	38.7
219.17189	1.4
237.14838	100.0
237.18617	3.3
238.15164	2.9
255.06506	72.4
255.13728	1.9
255.19508	7.4
256.06891	3.4
256.17233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01855	5.2
55.05505	28.4
57.03429	55.0
57.07053	4.0
57.18534	1.7
65.03928	2.1
67.05499	82.4
69.03436	1.6
69.07056	22.9
71.01354	9.0
71.04983	8.7
77.03820	1.7
79.05024	3.7
79.05485	69.5
81.03403	10.3
81.06607	2.8
81.07048	35.9
83.04969	21.5
83.08607	6.9
85.06519	6.2
91.05476	30.8
93.07037	82.8
95.04950	9.4
95.08595	12.3
97.06517	21.5
97.10152	22.7
98.21473	3.8
98.50377	1.9
98.98454	26.7
99.04402	2.1
99.08067	3.9
105.07023	7.4
107.04919	2.6
107.08585	50.7
108.08926	1.7
109.06505	4.6
109.10149	9.8
111.08065	3.9
117.07018	8.2
119.08563	11.9
121.06493	4.2
121.10146	12.4
125.09605	3.7
133.10104	6.5
135.08093	2.8
135.11678	100.0
137.09575	3.9
145.10098	15.9
153.12709	4.1
163.11154	12.5
181.12201	18.6
197.28845	1.6
201.47072	1.9
255.14072	2.0
255.15889	35.0
255.20593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01863	3.6
55.05508	25.0
56.03482	1.9
57.03166	3.5
57.03434	53.3
57.07065	3.4
65.03933	2.6
67.05144	4.5
67.05498	72.5
69.07068	22.6
69.65139	10.9
69.65558	5.5
70.18451	2.1
71.01356	5.0
71.04984	6.8
73.55654	1.9
79.05489	61.4
81.03426	7.5
81.07050	37.9
83.04964	16.2
83.08606	8.7
85.06538	5.1
86.29653	2.0
89.75269	2.2
91.05479	26.8
93.07038	77.7
95.04958	11.7
95.08611	15.4
97.06521	15.8
97.10163	21.9
98.98463	14.0
99.04491	2.8
105.07040	8.6
107.04971	4.0
107.08582	52.2
109.06488	2.7
109.10153	9.0
111.08096	4.0
117.07016	8.6
119.08601	7.8
121.06461	2.8
121.10120	10.4
133.10115	4.8
135.08116	2.3
135.11684	100.0
137.93314	2.1
145.10097	13.6
149.52426	1.9
153.12718	5.6
162.03426	1.8
163.11174	12.7
173.83391	2.2
181.12216	17.0
255.15909	31.5
256.26251	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01858	5.1
55.05510	33.8
57.03165	3.5
57.03434	45.6
57.07059	8.3
60.02868	2.4
67.05499	75.0
69.03419	2.3
69.07061	29.1
69.52561	4.5
69.52972	16.4
71.01350	7.3
71.04990	9.3
71.08610	4.0
72.08142	2.9
72.73433	2.3
79.05486	66.9
81.03404	9.6
81.07048	41.0
83.04982	26.2
83.08611	11.0
85.02889	3.0
85.06533	13.4
91.05468	29.3
93.06443	4.4
93.07037	75.4
95.04964	8.8
95.08598	20.2
97.06511	18.5
97.10165	19.4
98.21500	4.1
98.98462	71.1
99.04469	4.1
99.08078	4.0
100.98912	4.4
102.63898	2.4
105.07026	9.8
107.04943	6.9
107.08591	49.3
109.10146	13.5
111.08036	4.7
113.06011	4.5
117.07011	8.0
119.08575	11.2
121.06519	4.9
121.10132	14.5
125.06024	2.8
125.09634	5.6
129.07051	2.5
133.10107	5.8
135.08049	5.8
135.10652	4.8
135.11684	100.0
137.09538	3.9
139.07510	2.4
145.10109	18.4
147.04379	3.9
149.13304	3.3
153.01831	3.8
153.12724	3.1
163.11162	10.4
176.98782	2.6
181.12206	15.6
191.14209	3.0
195.08080	3.3
199.07542	2.6
209.11836	2.5
227.07002	4.2
237.14931	7.9
237.18498	3.4
255.06299	14.1
255.10263	6.9
255.15811	35.4
262.49432	2.3
262.53091	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1012
Annotation	Parvifuran
Peak:m/z	Relative Intensity
51.30254	0.3
53.03941	1.2
55.01862	0.7
55.05503	1.0
57.03428	0.6
57.07054	0.5
65.03962	0.3
67.05504	1.8
69.03416	0.4
69.07040	0.5
71.05021	0.4
71.70795	0.5
79.05482	1.2
79.91295	0.3
81.07035	0.7
83.01332	7.2
83.01821	0.5
83.04949	1.1
83.08612	0.5
85.02898	0.4
91.04935	0.7
91.05469	9.4
93.07034	3.0
95.04967	3.7
98.98461	4.2
103.05441	1.9
105.03381	7.4
105.04468	0.4
105.06994	0.7
107.04916	0.5
107.08587	0.7
109.42802	0.4
115.05448	1.1
117.06966	0.4
121.06480	4.9
123.04420	0.8
124.67129	0.3
128.06177	0.5
129.06981	1.5
131.04919	2.0
133.02821	0.6
135.11703	0.7
137.06039	0.4
141.06985	1.3
142.07800	0.5
143.08574	2.2
145.06496	0.4
145.10056	0.5
149.05974	12.7
151.03870	0.9
153.06966	1.2
155.08580	0.6
157.06383	0.3
157.10158	0.4
164.04645	0.4
165.06973	4.5
166.07765	11.4
167.08456	0.6
169.04941	2.7
169.06363	0.6
171.07994	1.2
171.11674	0.7
175.03818	0.4
177.05453	52.2
178.05846	0.9
179.08469	0.8
181.06610	0.5
181.08818	0.3
181.10110	8.1
183.08058	0.8
184.08878	1.7
191.08511	0.6
194.07295	2.5
195.06485	1.0
195.08047	1.0
197.05960	6.2
199.07455	0.6
199.11198	2.8
209.09586	7.6
211.07465	2.7
212.08308	11.6
222.06767	0.4
225.09007	1.0
227.10640	100.0
228.09023	0.3
228.10901	2.0
237.09076	4.3
238.10060	0.4
239.06956	1.2
240.07813	9.6
255.06657	2.5
255.10138	66.5
255.25182	0.5
256.10464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03431	3.1
57.45464	0.3
59.04958	0.4
60.74154	0.3
61.02912	0.9
69.03425	1.6
70.41324	0.6
70.41716	0.5
71.01340	0.6
72.80918	0.2
73.02901	2.3
78.03445	1.3
80.05011	2.8
85.02912	2.6
87.04424	0.3
92.54224	0.3
96.04498	1.1
97.02879	1.2
103.00069	0.3
103.03968	0.5
106.02909	7.6
110.07167	0.6
115.03928	1.2
123.05542	100.0
124.03946	3.2
124.05876	0.8
127.04983	0.4
133.04942	2.5
145.03500	0.5
154.19414	0.3
155.08189	0.6
173.30206	0.3
255.00645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05161	0.5
51.94650	0.6
53.03937	0.6
55.01864	2.8
55.05497	0.9
56.96561	4.6
57.03432	5.5
61.02909	1.4
64.02707	0.5
67.05491	0.6
69.03425	3.3
69.07068	0.7
70.40884	1.2
70.41300	1.6
71.01328	0.9
73.02902	4.0
75.25740	0.5
78.03461	1.1
80.05017	3.2
81.03387	0.6
84.96032	0.8
85.02895	5.1
87.04446	0.7
95.04952	0.8
96.04449	0.9
97.02885	2.5
97.06472	0.5
98.97585	2.0
98.98468	7.7
101.00855	0.7
101.02402	0.7
103.03902	0.6
106.02903	6.9
110.01308	0.8
110.07156	1.6
110.97542	0.6
111.04446	0.6
111.53629	0.7
112.07584	1.2
115.02428	0.6
115.03940	2.1
116.79397	0.5
116.98608	1.5
119.01869	2.8
123.05540	100.0
124.03945	3.7
127.03909	1.6
128.98602	1.0
130.08611	1.6
131.01973	0.6
133.03481	0.5
133.04965	2.8
143.01926	0.8
145.03450	3.8
146.99667	0.6
155.08109	0.8
158.00989	0.6
161.01277	0.8
161.02933	1.1
163.04582	0.9
165.54710	1.2
168.03577	0.7
169.03474	1.3
172.95073	0.7
173.03004	0.8
174.04391	0.9
174.55211	1.2
183.47244	0.6
185.02948	0.9
186.04340	2.7
187.02800	0.7
187.04521	1.6
203.03951	0.7
204.05489	1.3
213.48967	0.6
228.05479	1.1
231.01654	0.7
245.05037	0.7
248.99246	0.8
249.99609	0.7
251.02516	1.3
255.06281	0.9
256.02887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0649
Annotation	Chrysin
Peak:m/z	Relative Intensity
52.70542	0.1
55.05497	0.2
57.03419	0.2
67.01864	2.7
67.05493	0.3
68.99783	1.4
69.07068	0.2
79.05479	0.2
81.03394	0.2
81.60723	0.1
82.52521	0.1
88.99949	0.1
91.05438	0.2
93.07019	0.4
97.02956	0.2
98.20769	0.3
98.98452	0.5
103.05461	2.7
105.03374	1.1
107.08572	0.3
111.00747	0.2
121.10195	0.1
129.01831	0.4
129.03365	1.6
135.11690	0.3
140.56429	0.2
147.04424	1.1
152.06200	0.1
153.01817	8.9
153.06958	0.5
171.02908	0.8
171.04309	0.3
181.06560	0.2
187.07523	0.4
209.05927	0.8
213.05461	0.4
231.06516	0.4
255.06500	100.0
256.06873	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	255.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
55.05495	0.9
56.96538	0.3
57.03420	0.6
57.07061	0.3
57.65902	0.2
67.05497	1.1
68.99786	5.1
69.07042	0.6
71.01345	0.7
77.51394	0.2
79.05495	1.1
79.51379	0.3
81.03419	0.3
81.07040	1.0
83.04973	0.3
83.08583	0.3
91.05463	0.8
93.07027	1.2
95.04976	0.3
95.08579	0.6
97.10142	0.6
98.98463	4.4
103.05476	0.4
105.03336	0.5
105.06984	0.4
107.08575	0.8
109.10134	0.4
111.04452	0.3
115.05441	0.5
117.06976	0.3
119.90390	0.3
121.02844	0.4
121.10104	0.3
123.05532	0.2
128.06219	2.4
129.06990	3.1
131.04884	0.6
131.08525	0.9
133.02853	1.2
135.11691	1.3
136.78654	0.2
137.02324	0.8
141.06950	0.9
143.08568	1.5
144.05695	0.4
145.06471	0.8
145.10089	0.4
147.04430	0.3
152.06195	4.9
153.06981	10.7
155.06036	0.3
155.08525	0.3
156.13815	0.4
157.06485	10.5
157.10077	0.3
158.06839	0.4
159.08038	0.8
163.05273	0.3
165.06973	1.6
167.04655	0.3
169.06433	1.5
171.04431	0.4
171.08043	3.5
176.98901	0.3
179.31886	0.2
181.06461	21.0
182.07059	0.8
184.05220	0.9
184.13283	0.3
185.05951	4.9
187.07533	1.9
197.05891	0.7
198.06700	0.9
199.05667	0.5
199.07526	9.9
209.05937	5.8
210.06749	1.3
213.05446	8.7
214.06047	0.2
219.13795	0.3
226.06133	1.2
227.07008	19.0
228.07367	0.7
237.05476	3.0
238.06163	0.4
255.06497	100.0
256.06906	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	254.0658
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
58.56199	0.2
65.03938	3.7
69.57613	1.3
69.58025	0.3
69.91286	0.2
70.02942	1.4
74.02434	0.9
78.68565	0.2
81.07056	0.3
88.03986	1.8
93.03389	1.5
93.07040	0.3
96.15286	0.2
98.03642	0.3
98.98466	2.8
111.04436	1.1
116.03448	0.6
121.02860	100.0
122.03163	0.8
134.04468	2.1
139.03877	0.6
155.29297	0.2
185.25922	0.2
236.05574	1.4
254.06665	0.7
268.96594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68148	0.4
55.01855	0.5
56.96545	0.6
57.07062	0.5
65.03939	3.0
70.02953	1.5
70.06599	0.3
74.02444	0.8
81.07030	0.3
88.03983	1.8
93.03378	1.5
98.98461	5.2
105.86570	0.3
108.96010	0.3
111.04435	1.0
116.03482	0.5
121.02861	100.0
122.03219	1.0
132.04413	0.3
134.04483	2.8
138.05484	0.4
139.03891	0.8
167.19344	0.3
178.93130	0.3
187.56142	0.3
194.86478	0.4
197.74799	0.3
218.08171	0.7
230.25351	0.5
236.05519	1.5
254.06638	1.1
254.10167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.216
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03929	2.1
55.01872	1.3
55.05238	2.9
55.05506	53.3
55.13356	1.4
57.03423	2.6
57.07073	12.5
60.05151	1.4
61.45193	1.3
65.03937	2.1
67.05499	46.2
69.03411	2.3
69.07063	76.3
69.46358	13.0
71.04987	4.4
71.08623	2.6
72.19725	1.2
73.05309	1.1
74.83454	1.2
79.05482	23.2
81.07050	72.2
83.04973	3.8
83.08615	47.2
85.06549	7.7
85.10180	2.3
91.05467	21.6
91.06038	1.6
93.07038	28.7
95.04963	2.7
95.08599	59.0
95.09209	3.0
95.76772	1.3
97.06519	8.4
97.10162	34.5
98.98460	100.0
99.08084	6.2
99.08657	1.4
100.45370	1.2
102.16343	1.3
105.07020	22.0
107.08582	19.9
108.78918	1.6
109.06520	2.0
109.10142	27.8
111.08075	7.7
111.11715	13.8
113.09634	2.1
115.07492	2.0
116.99507	2.7
119.08571	22.1
121.00488	4.5
121.10142	23.4
123.08059	3.8
123.11682	14.5
125.09616	5.4
125.13259	2.4
133.10118	24.8
135.11690	25.2
137.09651	7.2
137.13246	7.6
139.11140	7.2
141.09088	1.6
147.11665	15.5
147.58542	1.2
149.13260	5.8
151.11137	7.6
151.14812	5.2
151.18518	1.3
153.12766	5.1
155.10759	1.3
157.12274	1.8
161.13232	13.5
163.14810	1.8
165.12726	3.1
169.12251	2.6
169.46976	1.5
175.14821	4.2
177.16309	2.0
179.14330	5.8
189.16452	1.5
191.17969	2.6
193.15926	2.3
193.19577	5.0
197.11598	2.1
217.19482	29.3
226.03111	2.6
235.20520	19.5
253.14093	6.6
253.21619	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	253.216
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03930	1.8
55.01867	1.8
55.05505	56.4
57.03419	3.5
57.07070	14.0
59.42878	1.4
65.03912	1.5
65.44695	1.6
67.05496	54.3
69.07061	84.1
70.36485	6.0
71.04983	7.7
71.08614	5.0
73.06533	2.1
79.05482	21.1
81.07047	80.3
83.04964	5.9
83.08608	51.8
85.06522	8.4
85.10169	2.6
87.04431	1.6
91.05478	24.1
93.07038	32.6
95.04964	3.4
95.08593	69.9
97.06518	11.9
97.10160	44.7
98.98457	100.0
99.08098	7.4
104.89695	1.3
105.07025	21.0
107.08578	19.5
109.06474	3.0
109.10154	30.3
111.08037	8.9
111.11699	13.8
113.09617	3.5
115.07515	1.9
116.99487	3.1
117.06975	1.5
119.08577	21.8
121.10130	30.0
123.08030	5.3
123.11709	13.8
125.09629	5.0
125.13303	3.4
127.07530	2.0
133.10110	26.8
135.08008	3.9
135.11678	25.6
137.09593	6.0
137.13242	7.9
139.11151	7.1
141.09108	2.3
143.08574	1.6
147.11682	19.7
149.09608	1.6
149.13222	7.0
151.11162	6.8
151.14778	5.7
153.12692	5.3
155.10611	1.5
161.13208	12.9
165.12746	6.2
175.14842	6.3
179.14253	4.0
189.12747	2.9
189.16328	2.1
191.17892	2.1
193.12291	1.5
193.19507	5.0
197.11703	2.7
217.19495	30.0
235.20523	18.5
253.14354	3.0
253.21626	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03941	0.8
55.01860	2.4
55.05511	3.6
55.99306	0.5
57.07068	2.9
58.70689	0.6
67.05508	5.2
69.03413	1.9
69.07053	3.5
69.85247	0.6
71.04995	3.1
71.72659	0.8
77.01543	0.7
78.64201	0.6
79.05486	10.2
81.07049	18.8
83.04960	2.0
83.08611	1.7
85.06528	1.5
91.05471	8.7
93.07036	16.1
93.07592	1.1
95.04956	4.0
95.08594	7.8
97.02883	1.0
97.06512	4.4
98.98457	100.0
99.04450	2.6
100.11256	0.8
100.98888	1.4
101.02411	0.8
105.07029	9.1
107.04941	1.8
107.08584	7.7
109.06512	11.4
109.10152	3.2
111.08042	2.1
113.06010	1.2
116.99500	4.9
117.07023	1.8
119.08564	7.1
121.06490	29.9
121.10131	2.9
123.04434	1.3
123.08037	2.2
123.11675	1.1
125.06035	1.6
127.07536	4.5
128.06253	0.9
129.06996	2.2
131.08554	1.8
133.06490	1.5
133.10126	4.9
135.04384	2.0
135.08051	8.2
137.05975	2.9
137.09642	0.6
139.03893	0.7
139.07542	3.6
140.01068	1.0
141.05438	1.8
141.06970	0.8
142.07768	2.0
143.06999	0.7
143.08556	4.0
145.10107	2.1
147.04500	1.1
147.08023	2.5
147.11670	10.0
149.09641	0.7
151.07539	1.2
156.09312	1.5
157.10115	4.9
161.06090	0.7
161.09584	0.8
161.13235	5.3
163.11128	0.7
165.07005	0.9
165.12767	2.1
166.07820	1.3
166.64012	0.6
169.08725	0.8
171.11681	6.3
173.09650	1.5
173.13171	0.7
174.99220	1.8
175.11162	6.0
176.98938	1.5
181.08652	0.9
181.10130	1.7
184.08826	0.9
189.12726	9.3
193.12236	7.3
195.06490	4.6
197.11740	2.4
199.11180	10.5
207.13780	5.0
215.61232	0.7
217.12213	27.3
217.15692	1.1
235.13269	13.9
235.16948	1.0
253.04858	1.5
253.08664	2.8
253.12288	0.6
253.14430	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	253.1432
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
50.59403	0.6
50.85283	0.7
53.03933	2.3
55.01878	3.6
55.05510	5.0
57.03418	1.0
57.07066	3.2
65.03938	0.8
67.05499	10.7
69.03416	1.9
69.07055	7.9
71.04987	5.8
71.08603	1.0
71.37322	0.7
71.37654	1.4
73.48481	0.6
79.05483	13.6
79.80774	0.8
79.92579	0.6
81.07053	26.2
83.04964	4.2
83.08607	3.4
85.06538	2.8
91.05474	8.8
93.07037	21.0
95.04961	7.2
95.08603	12.3
97.02878	1.8
97.05962	1.0
97.06526	9.5
97.10145	1.1
98.98461	100.0
99.04446	4.2
99.08092	0.8
100.98880	1.7
101.58694	0.7
103.05454	1.7
105.07023	18.6
106.07335	1.5
107.04921	3.6
107.08582	12.5
108.89007	0.6
109.06514	15.4
109.10159	3.6
111.04438	0.7
111.08076	3.1
113.05997	3.9
115.07535	0.7
115.08508	0.7
116.99489	4.5
117.07050	1.1
119.05029	1.0
119.08585	12.4
121.06498	35.0
121.10162	4.1
123.04433	2.6
123.08070	5.6
123.11694	3.3
125.06003	2.1
127.07550	6.9
128.06219	1.1
129.07013	2.9
131.08560	2.7
133.06514	2.9
133.10129	7.6
134.06804	1.3
135.04433	1.7
135.08044	14.3
135.11685	0.9
137.05962	2.9
137.09657	1.2
137.13251	1.3
139.07527	10.1
139.90932	0.7
140.01060	1.6
141.05438	3.5
141.06960	1.2
142.07767	2.4
143.07091	0.9
143.08556	5.2
145.06520	1.0
145.10124	3.7
147.08080	4.0
147.11674	21.2
149.09637	1.5
149.13300	1.3
151.07518	1.4
151.11134	2.2
155.08611	1.1
156.09312	1.4
157.08704	1.8
157.10138	7.3
159.11682	1.2
160.08846	0.9
161.09613	1.5
161.13235	6.7
162.06297	1.1
163.11095	0.9
163.14825	1.0
165.07037	2.3
165.12747	9.7
166.07748	1.8
171.08066	1.3
171.11690	8.4
173.09615	1.1
173.13370	0.8
174.51425	0.7
174.99185	1.9
175.11192	12.2
176.98898	1.6
177.12697	0.9
179.08525	1.6
179.10718	0.9
179.14288	0.8
181.06491	1.8
181.08656	1.2
181.10107	3.5
182.07277	1.6
183.13844	1.3
184.08881	1.3
189.12735	13.8
191.14281	0.7
192.09671	1.6
193.06564	1.2
193.08478	1.4
193.12231	20.2
194.08900	1.4
197.09921	0.9
197.11803	2.1
199.11177	12.5
207.08180	1.9
207.10042	1.0
207.13791	7.4
210.06799	2.1
211.13329	2.1
217.12233	37.0
218.12650	1.0
221.05852	0.9
225.05397	0.8
225.09123	1.7
235.07497	2.5
235.13271	19.6
238.06325	1.8
238.10162	0.9
253.04895	1.6
253.08813	6.8
253.12421	2.7
253.14636	8.4
253.18044	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	253.1432
Annotation	[1S-(1a,2b,5a,6a)]-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene-2,6-diol diacetate
Peak:m/z	Relative Intensity
53.03941	0.5
55.01874	0.6
55.05513	1.8
57.03408	0.3
57.07067	3.5
57.26997	0.2
59.04987	0.3
63.01130	0.3
65.75381	0.3
67.05502	3.5
69.03415	0.5
69.07056	2.3
71.04985	1.0
71.08638	0.3
71.71371	0.4
71.71761	0.3
79.05488	3.0
81.03365	0.3
81.07044	4.8
81.70609	0.3
83.04967	0.8
83.08615	1.8
85.06539	1.8
91.05460	1.6
93.07036	1.8
95.04951	0.7
95.08601	3.9
97.06499	0.7
97.10172	0.7
98.98458	45.8
99.04439	0.4
100.98848	0.5
105.07008	1.5
107.08585	1.7
109.06508	28.4
109.10139	2.2
110.06874	0.3
111.11746	0.3
111.24425	0.3
113.65371	0.3
116.99474	1.5
119.08557	1.4
121.10149	1.3
122.07212	0.3
123.08053	3.0
123.11698	0.9
125.05956	2.5
127.07563	0.3
133.06438	0.3
133.10112	1.8
135.08018	0.8
135.11676	1.1
137.05981	0.5
137.09581	0.5
140.01071	0.8
141.05455	0.6
147.08032	0.5
147.11681	1.2
149.09581	0.4
149.13263	0.3
151.07527	37.7
151.11150	0.9
152.07846	0.3
161.13272	0.5
165.09129	0.3
165.12749	4.4
174.99216	1.0
176.98994	0.6
189.12733	0.4
193.12227	100.0
194.12537	1.2
197.11688	1.2
207.13815	0.5
217.12343	0.3
217.19516	0.8
235.13324	1.6
235.16826	0.5
235.20537	0.6
253.08827	0.4
253.14328	12.7
253.21698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03932	1.3
55.01857	2.5
55.05507	4.2
57.07058	2.4
67.05501	8.6
69.03414	3.0
69.07053	4.7
70.66547	1.8
70.66908	1.5
71.04990	4.8
79.05483	8.4
81.07047	20.2
83.04974	3.7
83.08605	1.8
85.02868	0.9
85.06539	2.4
89.96570	0.7
91.05472	8.2
93.07030	14.4
95.04951	4.6
95.08582	8.8
97.02901	0.9
97.06517	6.6
98.98458	100.0
99.04451	2.4
100.98882	1.2
105.07027	10.3
107.04961	3.5
107.08576	9.4
109.06512	12.8
109.10143	3.1
111.08092	1.8
111.17660	0.9
113.06016	1.2
116.99500	2.3
117.07011	1.8
119.04910	1.7
119.08576	11.7
121.02910	1.0
121.06493	38.1
121.10141	2.8
123.04462	1.5
123.08067	2.0
125.05976	1.7
127.07534	5.7
128.06197	1.0
129.06987	2.4
131.08592	1.7
133.06471	2.7
133.10120	5.2
135.04399	1.9
135.08055	9.0
135.11633	0.9
137.05969	3.9
137.09602	1.6
139.07555	5.0
140.01076	1.1
141.05493	1.8
141.06941	1.3
142.03452	1.1
142.07796	2.0
143.08556	5.0
145.10117	2.7
147.08037	4.7
147.11671	11.1
149.09639	1.1
151.07521	1.2
156.09288	2.5
157.06509	1.2
157.10100	6.7
158.07278	0.9
159.08086	1.5
160.08870	1.4
161.06065	1.0
161.09630	1.5
161.13257	5.9
163.07581	0.8
165.06972	1.8
165.09125	1.3
165.12738	1.8
166.07829	1.1
171.11664	9.1
173.09660	2.6
174.99193	1.5
175.07428	1.0
175.11209	7.8
179.10535	0.9
181.10139	2.2
184.08778	0.9
189.09203	1.3
189.12711	13.3
191.05235	0.9
193.08644	2.3
193.12199	7.5
195.10147	1.1
197.11769	2.7
199.11166	13.0
200.05818	1.5
207.13736	4.1
217.12210	38.8
221.05879	0.9
225.09160	0.8
235.06010	1.1
235.13269	22.6
235.16887	1.4
253.04851	1.4
253.08629	2.4
253.12215	1.4
253.14363	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05831	4.0
70.60194	8.8
70.60589	8.0
81.93499	4.4
94.63843	3.7
162.51656	4.0
194.95728	5.1
229.15616	4.5
253.00838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
51.23166	1.0
53.03931	3.4
55.01865	10.9
55.05500	7.2
57.03416	3.6
57.07061	2.6
57.71727	1.1
59.55383	1.1
65.03921	1.4
67.05500	45.4
69.03414	4.7
69.07058	11.9
69.57978	10.8
71.04983	5.6
79.05492	18.0
81.03414	6.5
81.07050	39.7
83.04971	7.8
85.02859	1.8
85.06501	4.1
90.78590	1.1
91.05469	35.1
93.07038	12.2
95.04954	8.0
95.08594	7.1
97.06505	4.0
97.10167	2.1
98.98458	76.7
99.04472	1.4
99.08087	1.8
100.98868	1.3
105.07020	30.7
107.04942	1.9
107.07918	2.0
107.08582	22.9
107.77566	1.2
109.06475	5.4
109.10145	47.0
109.10884	2.4
113.05985	2.0
116.99471	2.2
119.08533	3.1
123.11700	10.3
125.09639	1.3
127.07537	2.2
131.08577	2.0
133.06465	1.5
133.10117	55.1
143.08551	1.5
151.10054	2.2
151.11172	24.3
161.09584	2.4
169.12236	3.4
176.98898	1.5
179.10753	1.3
189.69266	1.1
195.25345	1.3
197.11720	1.9
200.16054	1.1
253.14330	100.0
254.14717	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81988	0.2
55.05511	0.9
55.05769	0.3
57.22979	0.2
57.25261	0.2
64.47242	0.2
68.19241	0.2
70.33237	1.1
79.05489	0.8
81.07050	3.5
91.05454	0.4
94.04060	1.3
98.98460	17.7
104.04940	0.3
112.05079	0.2
116.99507	0.6
119.03516	1.8
120.08054	0.4
123.04388	0.3
135.08015	0.5
136.06177	100.0
137.04588	2.3
137.06560	0.6
141.17236	0.3
145.06425	0.3
153.24390	0.2
155.88870	0.3
174.99222	0.3
175.07613	0.3
176.98773	0.3
234.13483	15.6
235.13414	0.6
252.14542	53.7
253.14789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.7
57.03433	0.4
57.07070	0.3
58.74012	0.3
71.71980	0.3
74.02430	3.2
79.05491	0.8
81.07050	2.7
88.03983	6.5
91.05474	12.7
94.04049	1.3
98.98457	15.8
100.24251	0.3
116.03447	1.7
116.99482	0.5
119.03548	2.2
134.04480	7.7
134.75116	0.3
136.06171	100.0
137.04549	1.7
137.05733	0.5
174.99217	0.3
180.10312	0.3
207.80676	0.3
234.13478	16.9
238.82730	0.3
252.14526	53.5
253.14816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86611	0.6
70.30321	0.6
79.05510	1.1
81.07046	2.6
87.00800	3.2
91.05468	0.9
93.07065	1.9
94.04072	0.7
98.20656	1.0
98.98457	31.7
103.05454	6.1
113.17507	0.6
116.99481	1.2
118.06525	10.3
119.03503	0.8
120.08095	100.0
121.08486	0.8
128.04985	1.8
131.04964	0.7
136.06171	50.5
137.04573	0.8
146.06000	19.1
166.08600	1.8
180.84879	0.6
182.04341	0.6
188.07039	16.7
192.06557	1.5
205.98857	0.7
206.08105	59.5
207.08382	0.7
234.07672	0.9
234.13467	7.5
252.14534	26.9
252.19881	1.0
252.23166	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03939	1.9
55.05506	16.3
57.03426	1.3
63.55325	1.0
65.03931	2.3
67.05499	100.0
69.07061	12.4
70.26709	3.2
71.04998	2.0
74.85915	1.0
79.05048	1.4
79.05490	29.1
81.07051	95.7
83.04992	2.4
83.08614	15.9
85.06530	3.1
91.05476	17.8
93.07041	30.1
95.04977	2.1
95.08601	86.7
96.37449	1.2
97.06512	9.9
97.10171	6.6
98.98465	50.5
99.08075	1.7
105.07019	8.9
107.08582	20.6
109.06524	2.1
109.10148	45.3
111.08095	8.4
113.09642	1.1
116.99473	1.3
119.08574	7.3
119.66982	1.0
121.10140	28.5
123.07986	1.4
123.11703	11.3
125.09636	3.6
131.08540	5.6
133.10114	19.7
135.11676	17.0
137.09619	4.4
137.13225	5.0
139.11176	1.7
145.10094	4.2
147.11705	5.9
149.09616	1.6
149.13228	7.3
151.11172	5.9
155.10643	1.4
156.81564	1.1
159.11661	5.2
163.11134	2.1
167.10617	1.8
168.73656	1.1
171.22484	1.0
173.13266	3.7
174.99229	1.5
177.12685	2.6
181.12195	1.6
187.14813	2.4
191.17979	1.8
195.13762	3.5
215.17915	14.7
233.18985	10.7
251.20052	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	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03938	1.7
55.01856	1.1
55.05506	15.1
57.03440	1.2
57.07053	0.9
65.03919	2.8
65.87004	1.0
67.05501	100.0
69.07063	13.0
70.33303	4.7
71.04986	1.9
79.05491	27.2
81.07050	88.3
83.04967	1.5
83.08170	1.6
83.08614	15.5
85.06519	1.6
91.05481	16.7
93.07039	30.0
95.04926	1.6
95.08601	79.7
97.06528	9.0
97.10139	6.3
98.16808	1.0
98.98464	27.5
99.08070	2.0
100.12513	0.9
105.07014	7.4
107.08589	17.3
107.53238	0.9
109.06461	1.2
109.10150	36.0
109.38610	0.9
111.08075	8.1
116.99458	1.0
117.06988	1.5
119.08580	7.6
121.10133	22.0
121.26882	1.1
123.08043	1.4
123.11695	12.1
125.09643	2.8
131.08572	3.7
133.10130	14.8
135.08023	1.1
135.11694	16.5
137.09538	5.3
137.13252	1.7
139.11166	1.4
145.10121	3.9
147.11674	3.8
149.09583	1.7
149.13232	5.5
151.11174	5.3
155.10596	1.1
156.06856	0.9
159.11722	6.0
163.11177	1.1
165.12657	1.1
173.13283	2.9
177.12758	1.5
181.12181	1.9
187.14798	1.2
191.17938	2.3
195.13808	3.1
215.17967	12.0
233.18982	9.4
251.20056	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	251.2004
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
55.01859	1.7
55.05507	14.9
57.03443	1.4
57.07061	1.6
65.03933	3.0
67.05501	100.0
69.07065	16.6
69.48576	11.5
71.04995	2.4
77.71165	1.2
79.05487	31.9
81.07051	95.7
83.04973	1.9
83.08620	18.6
85.06529	3.4
91.05482	14.4
93.07040	29.8
95.04956	3.0
95.08598	88.3
97.06523	9.3
97.10165	6.8
98.98457	26.0
99.08070	1.4
105.07024	10.4
107.08591	17.1
109.06493	2.0
109.10152	44.4
111.08054	7.3
113.09718	1.3
117.07069	1.4
119.08572	9.2
120.90810	1.2
121.10133	25.4
123.08079	2.1
123.11701	14.0
125.09622	2.7
131.08539	3.9
132.10291	1.4
133.10121	16.2
135.11688	14.3
137.09610	3.3
137.13255	3.4
139.11194	1.7
145.10152	6.9
147.11691	3.7
149.13260	6.1
151.11174	8.0
159.11693	3.7
163.11165	1.1
173.13286	3.5
177.12727	1.5
182.33521	1.1
187.14824	3.2
195.13832	3.2
215.17944	13.8
233.18987	8.3
251.20035	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	251.1642
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03947	0.7
55.01851	0.4
55.05509	1.1
57.03435	0.6
57.07066	1.4
59.04990	1.5
67.05493	4.0
69.03445	1.8
69.07055	1.7
71.01336	0.4
71.04987	10.8
71.71263	0.6
74.16224	0.4
77.01560	0.3
79.05475	2.7
81.03415	0.7
81.07055	4.1
83.04984	3.1
83.08616	1.3
85.06532	1.5
90.83515	0.4
91.05479	4.0
93.07027	3.7
95.04962	2.6
95.08608	4.7
97.06528	3.0
98.98460	100.0
99.04447	0.7
103.05457	0.6
105.07011	4.2
107.04965	0.8
107.08597	3.9
109.06505	1.6
109.10144	3.7
111.08066	1.6
113.05998	1.1
115.05446	0.5
116.06277	0.3
116.99476	4.1
117.07010	1.1
119.08564	4.8
121.06496	1.7
121.10137	4.5
123.04430	0.5
123.08067	2.4
123.11706	1.3
125.05995	4.6
129.06924	0.4
130.07753	0.6
131.08537	2.4
133.06476	1.1
133.10123	2.1
135.08043	1.2
135.11671	1.6
137.09607	4.5
138.05620	0.3
140.01083	1.1
145.10121	3.1
147.08035	7.2
147.11658	2.2
149.09612	2.7
151.07510	1.6
151.11185	0.6
151.14810	0.6
152.04709	0.4
157.10182	0.8
159.08058	1.2
159.11699	1.4
161.05989	0.7
161.09593	0.6
161.13243	0.4
163.11174	10.1
163.14830	0.6
165.09012	0.5
166.80109	0.4
167.10693	0.8
173.06012	0.4
173.09686	0.6
173.13264	1.4
174.99234	3.1
175.11165	1.2
177.09055	1.0
177.12756	0.6
179.14284	4.4
181.12234	3.0
187.14803	1.1
189.12701	0.5
191.10680	1.2
191.14326	1.8
193.08534	0.5
193.12163	0.4
194.09483	0.4
195.10167	1.0
205.08571	1.0
205.12106	0.5
205.15906	0.6
205.98878	0.4
207.13817	0.8
215.14352	1.8
215.17831	0.6
233.08118	0.6
233.11806	0.6
233.15350	6.9
251.09055	0.5
251.12605	0.7
251.16422	14.8
251.20065	1.4
252.12317	1.3
263.23682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05506	19.3
57.07064	4.3
59.04984	2.1
67.05505	13.2
69.07062	33.3
70.62835	2.0
70.63180	6.7
74.97053	2.0
79.05484	10.9
81.07047	24.7
83.04964	4.3
83.08620	18.3
85.06524	9.0
86.43403	2.2
91.05449	13.2
93.07034	31.9
95.04929	3.0
95.08595	32.5
97.06465	2.3
97.10159	7.3
99.04451	2.5
101.06022	2.6
105.07012	27.5
107.08582	45.5
107.09261	4.1
109.06503	3.5
109.10143	19.4
119.08570	53.0
121.10132	47.9
123.08035	10.1
123.11680	4.6
123.55947	1.9
127.07510	2.2
131.08548	3.5
131.20473	1.9
133.10115	69.9
135.08051	4.2
135.11665	31.5
137.09641	3.1
141.09090	4.9
145.10097	3.9
147.08011	4.0
147.11676	32.0
149.09634	3.7
149.13229	13.7
153.09056	6.4
157.10107	5.1
159.11714	2.1
161.09575	8.0
161.13237	10.9
165.09114	3.2
167.10664	7.5
171.11662	3.5
175.11150	11.4
179.10643	21.1
181.12277	2.9
187.14732	4.7
189.12798	11.8
189.16353	36.5
193.12225	22.0
203.14275	3.9
203.17905	2.4
207.13774	4.6
213.16335	7.5
231.17435	24.0
231.20987	2.9
249.18489	100.0
250.18912	2.9
262.78625	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1481
Annotation	1-deoxy-11-oxopentalenic acid
Peak:m/z	Relative Intensity
53.03941	2.6
54.00234	1.7
55.05499	5.8
56.96578	1.9
57.07075	5.6
60.53509	2.0
63.07920	1.7
63.14232	1.7
65.03934	2.8
67.01851	9.0
67.05499	22.2
68.99778	1.7
69.03431	14.7
69.07053	6.4
69.42466	17.5
71.04994	3.4
79.05471	12.7
80.65867	1.8
81.07041	18.8
83.04963	7.9
83.08633	3.7
89.17240	1.8
91.05466	30.8
93.07041	24.7
95.04950	21.0
95.08621	12.9
97.06522	2.2
98.20722	3.5
105.07014	20.6
107.04952	3.5
107.08566	15.2
109.02858	5.2
109.06490	8.8
109.10160	7.5
111.04426	6.1
111.08041	3.9
114.89069	1.7
115.05472	3.3
116.06313	2.6
117.07001	7.1
119.04930	3.5
119.08562	38.1
121.06480	9.3
121.10151	10.6
123.08083	3.0
123.11641	1.8
125.09566	1.8
128.06163	4.1
129.07010	5.8
131.08527	4.8
133.06506	4.3
133.10083	10.5
135.08073	6.3
135.11673	4.3
137.05978	3.0
137.09596	11.1
143.08557	13.5
145.06523	2.1
145.10097	5.1
147.04439	2.5
147.08034	100.0
147.11707	6.8
149.09610	6.8
151.11165	2.3
152.14326	2.7
156.09285	2.3
157.10109	6.5
159.11696	3.0
161.09618	11.8
161.13268	6.2
171.08046	3.6
171.11696	5.0
174.06793	3.1
175.07536	15.2
175.11139	9.1
175.14787	3.1
185.13242	4.5
189.09108	30.4
189.12711	13.8
203.14322	8.5
213.12724	8.4
217.08568	5.1
217.12244	2.9
231.10207	2.3
231.13818	19.2
231.17307	2.9
249.11241	6.3
249.14861	26.7
249.18448	11.8
249.22427	2.0
249.25198	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	249.1483
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
55.01879	2.6
55.05500	7.3
56.96542	2.2
57.07078	5.6
67.01857	8.1
67.05502	20.7
68.84909	2.1
69.03410	16.5
69.07066	5.4
71.31578	4.2
72.33020	2.2
79.05491	8.2
79.18687	2.2
80.28265	2.8
81.07043	18.9
83.04972	11.7
83.08638	4.0
91.05466	29.9
93.07047	19.1
95.04961	22.0
95.08593	11.7
95.63194	2.3
95.76624	2.2
97.02879	2.5
97.06507	3.8
103.05450	3.1
105.07022	20.3
107.04937	4.3
107.08590	10.9
109.02892	3.1
109.06511	7.5
109.10136	9.5
109.22288	2.0
111.04449	4.7
111.08069	4.1
115.05412	3.3
115.66898	2.6
116.06236	4.0
117.07025	7.9
119.08558	41.1
121.06501	9.2
121.10110	8.7
123.04431	2.4
123.08075	2.9
125.05952	2.7
128.06227	4.5
129.06990	8.1
131.08554	10.2
133.06471	5.4
133.10115	11.3
135.08043	8.9
135.11664	4.0
137.05972	7.8
137.09607	11.2
139.54129	2.4
142.07782	2.5
143.08553	5.8
145.06465	4.0
145.10066	6.9
146.07198	2.4
147.08040	100.0
147.11711	6.7
149.09622	5.0
157.10121	4.8
159.07976	3.0
159.11647	6.5
161.05997	2.8
161.09622	13.5
161.13210	9.9
163.03975	2.6
165.09132	3.0
171.11693	8.0
173.09637	3.5
175.07521	16.3
175.11205	3.6
175.14803	4.8
179.07008	2.6
185.13251	8.5
187.14763	2.8
189.12834	12.5
203.14291	10.6
207.10205	2.8
213.12697	9.8
231.13806	29.2
231.17392	3.8
249.11197	7.7
249.14926	26.5
249.18451	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	249.1485
Annotation	CHEBI:67422
Peak:m/z	Relative Intensity
53.03934	1.1
55.05490	2.8
55.15316	1.4
56.96555	1.2
57.07064	3.3
65.03917	2.2
67.01863	6.2
67.05498	17.7
69.03424	12.9
69.07070	2.2
69.47746	6.7
69.48180	5.2
71.04972	1.3
75.73466	1.1
79.05476	6.3
81.07052	11.9
83.04966	8.0
83.08599	1.7
91.05467	20.1
93.07041	12.7
95.04961	19.3
95.08630	6.6
97.06534	2.8
103.05463	1.7
104.16328	1.2
105.07030	12.6
107.04942	2.8
107.08585	8.2
109.02872	4.4
109.06496	6.8
109.10141	4.2
111.04437	5.4
111.08071	2.0
115.05450	2.2
116.06238	2.9
117.06993	4.7
119.04964	2.7
119.08571	36.0
121.06507	7.7
121.10137	4.4
123.08050	3.5
128.06197	1.7
129.06993	5.6
130.07735	1.5
131.08577	6.2
132.05708	1.8
133.06482	3.2
133.10196	5.6
133.11070	1.3
135.08061	6.3
135.11635	1.6
137.06003	2.8
137.09601	8.3
143.08546	3.1
145.06433	2.8
145.10103	5.6
147.08035	100.0
147.11694	3.8
148.08298	1.5
149.09589	5.4
151.07620	1.4
155.08516	1.9
156.09319	1.5
157.10112	3.1
159.11652	2.0
161.06012	1.9
161.09644	5.2
161.13248	6.1
165.05466	1.7
165.09158	3.8
170.10915	1.9
171.11700	4.4
173.09752	1.2
175.07515	15.7
175.11197	1.5
175.14830	2.4
185.13243	4.7
189.09074	3.3
189.12804	9.1
193.08643	1.8
203.14310	7.6
213.12692	8.3
231.13771	17.4
249.07454	2.5
249.11261	3.0
249.14876	15.5
249.18530	2.6
261.12408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0751
Annotation	Ancistroquinone C
Peak:m/z	Relative Intensity
55.91107	1.7
57.07076	2.9
60.76013	1.5
67.05484	2.8
69.03396	1.7
69.07061	4.5
79.05473	5.9
81.07053	10.1
83.01337	11.8
84.05293	1.5
91.05460	7.2
93.07022	3.5
95.01302	3.0
95.04942	2.5
95.08602	3.4
97.69529	1.4
98.82578	1.8
100.67193	2.0
105.07001	7.1
107.04932	1.9
107.08544	3.8
109.06484	4.4
109.10150	2.3
119.04901	5.6
119.08539	5.7
121.06454	1.8
123.00772	24.2
123.04358	2.6
128.06230	2.4
129.06984	2.4
131.08560	2.3
133.02882	2.2
133.06450	3.0
133.10059	2.6
137.05957	6.4
139.33994	1.7
141.01811	4.1
147.04390	30.9
147.08005	3.3
149.05930	2.5
150.06776	2.0
151.03914	6.8
157.10095	1.8
161.05969	57.5
161.09534	1.9
162.06323	1.9
165.05460	42.3
175.07538	12.9
177.05484	4.4
178.06209	5.4
179.03438	12.0
179.07025	9.3
189.05504	8.6
193.04961	16.7
193.08562	4.1
203.06978	15.8
206.05730	9.4
207.06526	20.5
216.45660	1.9
221.08099	20.3
229.67242	2.5
231.06540	6.6
249.07561	100.0
249.14694	3.8
249.18506	6.5
250.07819	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	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18885	11.0
54.56364	11.0
70.07964	59.7
70.77336	13.5
72.66676	11.2
94.80463	11.1
98.21420	18.6
98.97571	26.5
116.98603	18.4
120.05299	10.7
184.33145	11.2
219.08884	13.3
249.03680	100.0
264.35068	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	249.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58012	0.3
55.01859	1.3
55.05486	0.3
65.03952	0.4
67.05485	0.4
68.99807	0.3
69.03426	0.7
71.71188	0.4
79.01859	1.2
79.05508	0.3
81.07038	0.6
91.05468	3.8
95.01296	0.6
95.04965	0.7
95.08588	0.3
97.02883	100.0
98.03214	0.8
103.05459	1.2
105.07050	0.7
107.08611	0.4
109.06500	0.3
119.04935	3.5
119.08565	0.6
121.06452	0.3
123.08047	0.3
125.02335	1.7
126.41045	0.3
129.03325	0.4
129.06992	0.4
131.04921	1.1
131.08537	0.4
143.03380	1.1
143.08603	0.5
145.10085	0.6
147.04398	8.1
147.08044	0.5
151.03954	0.4
153.01810	8.1
153.02762	0.4
157.02881	0.6
157.10110	0.4
159.11668	0.4
161.05960	0.4
161.09633	0.3
161.13179	0.3
165.05486	0.8
175.03889	7.4
176.04272	0.3
177.01756	0.5
178.02617	0.4
179.03323	0.7
181.01297	14.6
189.12735	0.3
191.67853	0.3
193.05034	1.4
194.05199	0.3
203.03366	9.9
203.06955	0.3
207.02892	0.6
207.13716	0.3
221.04349	2.0
231.02855	10.1
231.13730	1.1
232.03143	0.3
249.03920	10.8
249.11087	0.5
249.14865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1334
Annotation	Xanthatin
Peak:m/z	Relative Intensity
53.03939	3.3
55.01862	3.2
55.05500	5.1
56.05028	3.3
56.96559	100.0
57.03424	3.8
61.02920	2.1
65.03949	3.5
67.01837	1.9
67.05505	9.3
68.99772	1.6
69.03433	9.3
69.07063	2.1
69.60173	14.8
70.06595	1.8
70.98104	9.8
71.04974	3.4
71.95280	1.8
72.08147	56.5
73.02901	4.2
74.97598	6.2
79.05488	10.4
81.03426	3.0
81.07050	19.9
82.07325	1.8
83.04971	2.3
84.04499	43.5
84.08150	1.9
84.96014	2.8
85.02910	8.3
86.00627	1.9
86.09701	5.2
88.99147	5.5
90.03775	2.8
91.05469	19.1
91.50050	1.8
93.07029	15.7
95.04965	5.7
95.08626	4.4
97.02882	6.8
97.06520	4.7
98.21524	3.6
98.97562	14.1
99.04474	2.6
100.99130	3.6
102.00256	1.9
103.05453	3.3
105.07016	33.1
107.00173	2.9
107.04986	3.9
107.08588	11.8
109.02888	2.4
109.06506	9.6
109.10134	2.3
110.97563	3.6
111.04465	2.3
111.08074	2.1
111.23630	1.6
115.05479	6.4
116.98606	12.1
117.07003	17.3
118.03269	2.2
118.08640	31.0
119.00184	4.7
119.01894	6.9
119.04934	3.2
119.08566	12.4
121.01684	3.8
121.02855	2.3
121.06498	6.2
121.10140	3.9
123.04439	3.9
127.03899	2.2
128.06209	21.8
128.98589	10.0
129.06990	11.4
129.92844	1.6
130.05005	7.8
130.07777	2.1
131.07578	1.5
131.08553	34.8
133.01730	2.2
133.06499	3.2
133.10103	6.8
134.99638	11.8
135.11694	5.1
136.08801	1.7
137.05951	4.1
137.09592	3.3
139.02759	2.3
139.03897	4.8
141.06967	6.6
142.07777	8.1
143.08556	45.2
144.09335	4.9
144.98077	9.9
145.03464	2.3
145.06456	11.4
145.10117	16.8
146.97165	2.0
146.99632	15.4
147.03247	4.0
147.04417	4.8
147.08044	6.3
147.11684	2.8
148.97614	3.8
149.05966	3.5
149.13246	2.3
153.01796	3.9
153.06940	3.5
154.07780	4.3
155.08510	11.9
157.10107	16.3
158.99652	5.0
159.03311	4.1
159.04466	3.2
159.08058	21.6
159.11673	20.8
161.01181	3.6
161.02972	3.6
161.05933	2.6
161.09651	6.3
162.99152	23.2
163.02719	3.9
163.07497	2.6
165.00673	12.5
167.08524	2.9
168.09358	14.8
169.10120	4.9
171.08040	7.9
172.08740	3.0
173.06001	7.8
173.09583	5.3
173.13248	14.0
174.99118	16.4
175.02605	2.8
175.03917	22.5
175.07536	2.4
175.11128	2.4
177.00745	8.4
177.04347	7.0
181.00206	10.5
183.01524	1.9
183.11671	36.9
184.09714	10.8
185.09781	1.9
186.99158	2.7
187.00795	2.1
187.02614	2.1
187.07552	11.7
187.11182	46.5
189.09109	35.9
191.03592	2.0
193.00188	20.5
201.00708	7.1
201.05588	2.4
201.09114	2.1
201.12711	51.7
202.10773	2.1
203.10854	4.4
205.00192	23.9
205.03783	4.2
205.12192	2.3
211.00871	2.2
211.11113	10.7
215.00438	2.3
217.00279	1.9
219.01723	5.2
219.13777	3.7
220.83315	1.8
223.01231	43.2
223.04749	3.0
224.04044	3.2
229.08606	6.3
229.12206	90.7
230.10258	5.7
241.02345	6.3
243.01747	3.6
246.02887	3.7
247.02298	3.9
247.04707	8.5
247.09785	6.4
247.13252	54.1
247.16887	2.3
253.31273	1.8
259.01697	1.9
261.02798	2.7
265.06100	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	247.1328
Annotation	Xanthatin
Peak:m/z	Relative Intensity
50.15580	5.5
53.76072	5.5
55.05509	5.9
55.51811	5.8
56.05013	9.3
59.06100	8.7
64.39400	4.5
66.66110	5.4
67.05482	15.6
68.05024	8.9
69.03428	5.4
69.07045	5.6
69.70435	4.4
70.06574	7.9
71.04944	6.3
71.59306	10.9
79.05476	8.7
81.04523	9.6
81.07030	29.9
82.06569	6.9
83.06080	12.4
85.07621	6.9
91.05450	25.6
93.07018	13.5
95.04939	10.1
95.06056	12.2
95.08606	12.3
97.02878	4.9
97.07637	13.2
98.07150	12.6
103.03864	4.9
103.05449	5.3
105.04471	6.2
105.07021	49.6
107.08582	11.9
109.06437	6.1
109.07635	8.9
110.07154	16.2
111.09169	7.8
112.08721	12.7
115.05406	6.6
117.06991	27.5
119.08553	10.7
119.61591	5.4
121.06446	6.0
121.07640	10.6
121.10081	6.8
122.07094	16.1
123.09126	8.8
124.08681	11.6
128.06195	27.3
129.06952	17.0
130.07790	7.7
131.08568	41.8
136.08672	14.0
137.08220	6.3
138.10204	4.9
139.09810	6.7
141.06982	11.5
142.07750	14.4
143.08559	61.9
145.06442	12.6
145.10092	19.9
146.07172	5.4
147.06573	6.3
148.08635	10.3
149.05914	6.0
149.08209	10.6
150.10229	10.4
151.09723	5.5
153.07008	8.0
155.06046	5.1
155.08464	10.9
157.10085	17.7
159.08051	35.0
159.11693	25.2
163.06023	4.9
163.09755	6.7
168.09415	23.9
171.08049	16.7
173.05928	6.2
173.13258	11.7
173.30466	5.8
175.03885	27.2
175.11165	11.1
176.73138	4.8
178.10950	5.1
183.11748	41.5
185.13216	6.2
187.07506	18.4
187.11180	71.6
189.09061	41.0
189.11345	5.3
201.12753	63.5
204.12552	6.6
205.12137	8.8
206.10277	7.0
211.11142	10.1
219.13782	5.3
220.15494	8.2
229.12212	100.0
247.09602	11.9
247.13168	81.0
247.16740	41.0
247.54146	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	247.1327
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.88819	1.7
52.14743	1.7
52.61348	1.7
53.03928	4.2
55.05494	4.8
55.35539	1.8
60.82097	1.6
65.03930	3.0
67.05479	2.1
67.24750	1.5
69.03423	21.9
70.41822	6.9
79.05472	5.4
79.55433	1.6
81.07043	9.3
83.04974	19.9
89.14998	1.6
91.05469	13.4
93.03399	6.7
93.07032	14.6
93.25845	2.1
95.04933	6.9
97.02885	6.5
105.07021	14.3
107.08590	15.7
109.02886	11.8
109.06530	8.9
109.10162	3.9
111.04418	6.5
111.08049	3.0
111.35215	1.5
115.05433	3.5
117.06993	10.4
118.69775	1.8
119.08565	20.9
121.02815	2.8
121.06491	16.0
121.10130	5.2
128.06232	4.2
129.06981	6.9
130.07800	2.4
131.08559	14.5
132.05624	3.4
133.10089	10.2
135.08043	26.1
137.06000	5.7
137.09581	2.2
142.07797	3.1
143.08572	12.2
144.09334	9.9
145.06462	16.1
145.10107	9.7
146.07318	2.3
147.08011	5.3
149.06024	2.4
149.09596	26.2
150.10350	3.5
151.11166	4.1
153.06993	2.7
155.08537	5.7
157.10094	4.4
158.07274	2.7
158.10890	9.1
159.08073	12.3
159.11699	25.2
160.08818	3.8
161.09543	2.5
163.07533	23.1
163.11188	3.2
165.09137	3.0
168.09346	4.8
169.10123	6.1
170.10901	5.5
171.08015	11.2
172.08830	16.9
173.05884	2.3
173.09621	27.9
173.13261	33.5
181.06444	2.8
183.11717	8.4
185.09409	2.2
185.13188	3.5
186.10408	26.7
187.11169	100.0
188.08141	2.1
188.11494	2.4
189.09122	4.4
191.07024	36.8
193.10080	2.8
195.08055	2.4
196.08778	7.9
201.12729	58.9
205.12234	6.6
211.11107	11.0
214.09743	2.2
219.13800	4.1
229.12225	66.4
247.13284	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	247.1327
Annotation	Parishin B
Peak:m/z	Relative Intensity
52.75837	1.6
53.03933	4.5
55.05491	4.3
59.24510	1.5
60.83760	1.8
65.03917	5.9
67.05476	5.0
69.03427	22.3
70.11461	8.5
79.05484	9.0
81.07059	8.1
83.04988	21.8
90.29815	1.9
91.05473	14.2
93.03426	4.3
93.07029	13.8
95.04931	5.9
95.08630	1.9
97.02876	7.6
103.05419	1.7
105.07027	16.8
107.04895	2.3
107.08585	12.2
109.02860	12.8
109.06503	11.5
109.10154	3.2
111.04430	5.4
115.05421	7.0
117.06999	12.8
117.77799	1.7
119.08573	16.7
121.02808	3.0
121.06501	17.7
121.10130	8.0
123.08027	3.1
128.06172	3.2
129.07002	5.7
131.08557	19.1
132.05702	3.8
133.10138	8.6
135.08041	29.8
137.05940	6.3
137.09625	4.2
139.03885	2.7
142.07748	3.1
143.08539	12.7
144.09308	9.0
145.06470	12.3
145.10121	13.4
146.07234	1.9
147.08047	5.0
149.05992	2.4
149.09601	26.3
150.10342	5.7
151.07513	2.2
151.11121	2.3
153.06960	3.5
155.08583	4.1
156.09326	3.1
157.06572	2.4
157.10075	4.4
158.07251	3.5
158.10876	15.2
159.08081	10.7
159.11681	28.6
160.08801	6.0
161.09587	4.9
163.07532	17.1
168.09315	5.8
169.10130	4.7
170.10866	5.3
171.07993	8.2
172.08829	18.8
173.09621	29.4
173.13239	32.5
181.06396	3.2
183.11678	10.4
185.09688	2.4
185.13142	3.2
186.10390	23.6
187.11162	100.0
189.09106	5.8
191.07014	38.3
196.08847	8.5
199.07433	1.9
201.12720	59.9
203.14203	2.5
205.12233	5.1
208.76613	1.7
211.11174	13.3
214.10017	2.6
219.13771	5.3
229.12227	65.5
247.13286	75.0
248.13591	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	247.1282
Annotation	H-GLU-VAL-OH
Peak:m/z	Relative Intensity
53.03932	0.6
55.05506	7.8
56.05031	2.7
56.96555	0.7
57.05816	0.6
67.05506	0.9
69.90080	3.6
72.08147	100.0
73.08489	1.1
79.05470	1.3
81.07046	2.1
84.04494	61.6
85.02881	1.2
85.04806	1.2
90.03755	0.6
91.05470	1.6
93.07040	1.4
95.08613	0.9
98.97644	0.8
102.05534	1.8
105.07013	2.9
107.08596	1.2
109.06511	1.3
117.07016	1.4
118.08640	47.5
120.40446	0.6
121.06504	0.9
128.06241	1.6
129.07025	0.9
130.05002	11.2
131.08554	4.0
132.06607	0.9
133.10165	0.8
138.09055	1.0
143.08548	3.8
145.06490	1.0
145.10088	1.6
150.15541	0.6
155.08582	1.4
156.10220	4.6
157.10213	2.0
159.08064	2.4
159.11676	1.6
161.09578	0.6
168.09378	1.2
171.08070	0.8
173.06029	0.8
173.09846	0.7
173.13225	1.1
175.03944	2.2
183.11662	4.5
184.09677	19.0
185.10022	0.9
187.07579	1.2
187.11142	4.9
189.09000	3.4
201.12715	5.6
203.11028	1.7
211.11243	1.3
211.58771	0.7
229.12187	10.5
230.10197	11.7
247.12949	15.0
248.13309	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	247.1281
Annotation	H-GLU-VAL-OH
Peak:m/z	Relative Intensity
55.05507	6.3
56.05014	2.2
56.96554	3.4
64.89177	0.8
69.03405	1.1
69.57532	0.8
71.27274	1.2
71.27604	1.7
72.08150	66.1
73.02926	0.9
81.07043	1.7
84.04498	42.4
84.05003	2.3
85.02870	2.2
86.09695	1.1
91.05475	2.0
93.07060	1.2
97.02915	1.5
98.97578	1.4
102.05553	1.3
104.63271	0.9
105.07008	2.9
107.08614	1.0
109.06466	1.0
116.98551	1.1
117.06983	2.0
118.08647	29.1
119.01891	2.6
121.01631	2.8
128.06186	1.6
130.05009	8.4
131.08516	2.7
133.01700	1.1
135.92267	0.9
143.08536	2.8
145.03439	2.1
145.06453	1.0
145.10097	2.1
156.10197	2.6
159.08034	1.7
159.11665	1.3
161.04716	0.9
162.99162	1.4
169.01009	1.1
173.02943	1.3
183.11609	2.5
184.09692	13.7
187.02422	1.5
187.07474	1.4
187.11169	3.3
189.09036	3.1
201.12749	3.8
229.03191	26.1
229.12149	6.6
230.10231	6.0
247.04236	100.0
247.13007	10.0
248.04587	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19238	1.3
65.08153	1.5
68.11848	1.5
69.73244	1.5
71.15397	4.4
72.08146	4.4
80.11039	1.6
81.07014	2.3
81.23868	1.3
85.47870	1.4
88.91887	1.4
91.05491	1.4
104.52818	1.7
105.06953	1.3
112.51089	1.5
117.06929	1.9
120.54488	1.5
143.08594	1.7
147.90265	1.4
159.11719	1.4
167.03096	1.8
179.28572	1.8
194.18166	1.6
201.12697	2.2
215.57048	1.5
229.03185	32.7
229.12166	5.0
247.04240	100.0
247.13248	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	247.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21008	0.6
55.01876	1.4
55.05500	3.1
56.05035	1.0
56.96558	100.0
57.03424	1.0
59.52568	0.7
60.95828	0.9
63.32323	0.7
65.03946	1.1
67.05498	4.0
69.03413	2.4
69.07045	0.7
70.98116	9.2
71.04972	1.4
71.13426	1.4
71.95255	0.7
72.08147	38.1
73.02892	0.9
74.97596	7.4
79.05494	3.9
81.03397	1.1
81.07049	8.7
83.04977	1.9
84.04495	27.1
84.08144	1.1
84.96027	5.3
85.02895	2.5
85.04848	1.5
86.09703	0.8
86.97586	1.3
88.03988	0.8
88.99161	6.7
91.05470	10.0
92.98643	1.8
93.07031	5.1
95.04948	1.6
95.08619	2.1
97.02881	1.5
97.06498	1.6
97.99200	1.3
98.97572	6.1
100.99130	4.4
102.05534	1.4
103.05456	1.4
105.07019	11.3
107.00200	2.2
107.04948	1.1
107.08573	4.6
109.02890	0.9
109.06532	4.4
109.79977	0.6
110.09657	0.9
110.97557	2.4
111.04434	0.8
114.05534	1.0
115.05413	1.1
116.06268	0.8
116.98605	4.9
117.07003	6.7
118.08640	19.9
119.00175	8.4
119.01823	0.8
119.04993	1.6
119.08531	3.4
121.06512	2.2
121.10146	1.3
123.04440	1.4
123.08052	0.9
127.03909	1.0
128.06194	7.9
128.07059	0.8
128.98587	6.6
129.06973	5.8
130.05003	7.2
130.07787	1.7
130.96530	1.9
131.08554	13.2
133.01697	3.6
133.06482	0.8
133.10124	1.9
134.99640	4.4
135.11665	2.1
137.01221	1.6
139.03880	5.1
141.06972	3.0
142.04950	0.9
142.07751	3.4
143.05318	0.9
143.08549	14.9
144.09344	1.9
144.98065	15.7
145.06473	4.5
145.10127	7.2
146.79178	0.7
146.99612	8.8
147.04402	2.6
147.08038	1.6
147.11664	1.3
148.97566	4.9
151.02817	0.7
151.07533	1.2
153.01802	1.0
153.07056	1.6
155.08534	4.5
156.10228	2.5
157.10083	5.7
158.99622	1.0
159.04401	0.8
159.08043	9.9
159.11679	7.2
161.01251	3.6
161.09641	1.8
162.99123	35.7
163.03865	1.6
165.00710	3.6
166.98656	2.6
168.09332	5.5
169.10120	2.2
171.08104	3.3
173.05910	3.3
173.09621	2.0
173.13220	5.5
174.99171	0.8
175.03894	7.5
175.11134	1.6
177.00653	2.0
177.09119	1.0
181.00186	19.6
181.01762	1.0
183.11682	12.1
184.09625	7.8
185.09875	1.4
185.13211	1.5
186.00713	2.8
186.10387	1.0
186.99196	2.3
187.04097	0.8
187.07539	5.6
187.11151	16.7
189.09100	12.6
189.10692	1.4
190.90720	0.9
193.10243	0.7
199.01245	2.7
201.00639	1.1
201.12717	19.1
202.10649	1.3
203.11038	5.8
204.01837	1.1
205.00163	26.8
205.12172	1.8
211.11162	4.5
219.13771	2.5
223.01233	56.5
224.01553	1.0
228.01753	2.8
229.04961	0.9
229.08539	2.2
229.12210	32.3
229.14473	1.7
230.10185	5.6
241.02286	8.7
243.01743	0.8
246.02847	4.6
247.01540	1.0
247.06035	1.9
247.09785	2.4
247.13197	24.4
247.20276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.2
57.07056	1.9
58.06585	1.2
62.49615	0.5
65.03931	0.6
67.05482	3.1
69.07063	6.3
70.06574	2.3
72.08129	2.7
79.05465	2.9
81.07049	11.5
82.07375	0.9
83.08627	2.8
83.12137	0.6
84.04457	0.7
84.08138	3.1
91.05466	4.0
93.07047	7.3
94.07384	0.8
95.08606	12.2
96.08147	3.2
96.08653	0.5
98.09670	2.2
98.20753	1.4
103.05482	0.8
105.07029	7.9
106.07258	0.7
107.08608	8.7
108.08134	4.6
108.08798	1.2
109.06512	1.1
109.10156	8.1
110.09669	3.6
110.10347	0.6
117.07002	1.6
119.08579	8.5
121.10137	5.7
122.09628	1.6
123.11695	5.1
124.11221	0.9
128.06209	1.5
129.06993	1.3
131.08578	3.0
133.10123	6.9
135.11670	5.1
137.13213	1.3
142.07822	0.7
143.08560	4.1
144.09370	0.8
145.06465	1.0
145.10112	2.6
147.11685	4.2
148.40343	0.6
149.13243	6.5
150.12694	0.9
155.08461	0.9
157.10152	1.3
159.08022	1.6
159.11671	3.2
161.09544	0.7
161.13226	1.5
162.12746	0.9
163.14839	0.8
168.09258	0.9
171.07991	1.1
173.13217	1.7
175.03886	2.3
183.11674	2.3
187.07506	2.0
187.11153	4.5
187.14799	1.2
189.09081	2.7
189.16385	11.6
201.12712	3.8
204.17436	1.1
205.19507	4.1
229.12241	6.0
229.19432	1.4
244.20557	1.2
246.22160	100.0
247.09589	0.8
247.13205	4.5
247.22499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41846	0.7
55.01858	2.3
55.05510	3.2
55.93507	0.7
56.01385	2.1
57.03420	2.2
60.55255	0.7
61.50800	0.8
65.08850	0.6
68.05013	3.3
69.03406	1.4
69.07063	31.9
73.02908	7.4
73.06554	12.5
78.67532	0.7
81.07019	0.8
83.04960	1.2
84.04485	4.1
85.02898	26.5
86.09698	23.9
87.10033	1.4
89.86855	0.7
93.85243	0.7
95.01270	1.1
95.08582	1.3
96.04488	3.9
97.06528	4.9
98.20753	1.9
101.39432	0.7
102.05518	3.2
114.05515	1.9
115.07555	1.8
123.08054	3.1
130.04118	1.2
130.05000	14.2
131.03386	0.8
141.09128	3.7
142.04987	86.4
149.46474	0.8
156.06505	6.3
169.08594	54.7
198.11244	99.5
199.11621	1.5
216.12326	1.5
244.11794	100.0
245.12038	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0651
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01873	1.4
63.62949	0.3
65.03938	2.3
68.99780	4.9
69.07074	0.5
71.29599	0.9
79.05505	0.4
81.03400	0.8
81.07041	0.7
91.05482	1.1
95.04955	0.6
98.97545	0.4
99.05543	0.4
103.05479	0.4
107.04955	7.1
107.08639	0.4
111.04432	0.7
115.05441	1.1
117.07011	1.1
119.04924	0.8
119.08545	0.6
121.02860	18.4
121.10132	0.4
123.08092	0.4
125.06062	0.4
127.87611	0.3
129.07039	0.6
131.04915	1.8
131.08586	1.0
141.06982	7.1
141.08070	0.5
144.05690	0.8
145.06479	2.0
147.04388	3.5
147.08049	2.9
149.02333	100.0
150.02699	1.4
157.06496	0.4
159.08078	1.4
167.03363	1.3
168.05623	0.4
169.05089	0.3
169.06468	9.4
170.07010	0.4
171.94553	0.3
173.05960	1.7
179.10611	0.3
185.05943	0.9
187.07567	2.1
197.05972	12.3
198.06889	0.4
200.04727	0.5
213.05432	1.0
214.06332	0.4
215.07018	96.7
216.07413	1.3
243.06517	52.5
244.06921	1.2
254.17580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
53.03930	0.1
55.05500	0.3
56.66971	0.1
57.07079	0.2
64.45884	0.1
65.03912	0.1
67.05491	0.6
69.03441	0.2
69.07041	0.2
70.23511	0.6
71.01344	0.3
77.03931	0.5
79.05479	0.2
81.07044	1.1
83.08627	0.2
83.28897	0.1
83.29404	0.1
91.05470	0.8
95.04982	0.9
95.08579	0.2
98.21418	0.2
102.04619	0.3
103.05460	39.1
104.05791	0.5
104.52292	0.1
105.03371	0.2
105.07022	1.9
109.10205	0.2
111.04433	0.4
117.07071	0.1
119.08537	0.2
121.02843	0.2
123.11716	0.2
128.06195	0.2
129.06999	0.4
131.04916	100.0
132.05243	1.6
139.03909	0.2
141.07002	0.4
144.08067	0.2
145.06445	0.2
145.10120	0.2
147.07994	0.3
155.04919	0.6
155.08528	0.3
157.01321	7.4
157.06483	0.2
168.05515	0.1
169.06470	0.2
169.10117	0.2
173.05980	0.4
173.09540	0.2
183.08006	0.2
187.11232	0.2
187.13312	0.2
197.05852	0.3
197.09601	0.3
199.07544	0.3
201.05472	1.6
215.06963	0.2
215.10413	0.2
219.06393	0.2
225.05493	0.4
225.09068	0.2
243.06487	2.5
243.10136	3.2
243.15767	0.3
243.21027	0.4
262.74857	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	241.1544
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
58.06594	19.9
66.48349	0.2
70.06578	3.1
70.44088	1.0
71.04964	0.3
72.08136	0.4
76.40898	0.2
78.50146	0.3
81.03412	0.5
83.04942	0.3
84.08132	10.6
85.06525	0.3
85.84185	0.3
98.06036	0.4
98.09695	1.7
100.11238	0.4
110.07180	0.3
114.05555	0.3
116.07062	0.4
116.10666	0.2
126.05494	0.4
126.09167	0.4
128.10710	3.5
129.54750	0.3
144.10156	1.5
150.09062	0.3
164.07045	2.6
168.10184	1.1
181.09773	0.2
196.09668	5.8
197.37901	0.2
213.15872	0.4
241.15443	100.0
242.15688	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	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.7
56.96562	10.0
57.03424	16.3
58.06593	14.0
59.05011	4.3
61.02925	8.5
69.03449	4.1
70.06582	10.4
70.76392	7.3
70.76730	9.0
71.01351	7.1
72.93760	6.8
73.02901	5.9
85.02914	11.5
85.08504	4.7
87.04444	6.4
88.31289	3.9
97.02881	10.2
101.02364	12.4
102.49474	4.6
110.07159	11.6
113.96388	8.6
115.03922	22.6
129.01825	11.7
131.97440	5.9
140.64151	4.4
141.01338	5.2
143.03406	9.7
146.99620	4.4
156.07602	6.3
157.01318	27.4
161.04462	8.0
165.07426	5.8
189.03931	56.9
234.41444	4.1
242.15790	100.0
259.96014	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	241.0858
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
51.64520	0.3
53.03944	0.7
56.35997	0.3
58.58384	0.3
65.03941	0.6
68.99777	2.1
69.07070	0.4
70.45235	1.4
71.72956	0.3
79.05492	1.8
91.05478	19.3
93.03712	0.5
93.07008	0.3
95.04953	0.9
95.08583	0.4
103.05459	6.7
105.03382	1.5
107.04942	6.8
116.27539	0.3
119.04957	0.4
121.02872	0.5
123.04427	1.1
128.06248	0.5
129.06987	1.1
131.04942	2.2
135.04407	60.2
136.04733	0.5
141.06944	0.8
143.08540	1.0
145.10100	0.3
150.03113	2.5
152.06218	1.9
153.07013	0.8
163.03894	100.0
164.04213	1.3
165.07007	1.4
167.08531	2.9
171.08038	0.9
177.06990	1.3
178.07735	0.9
179.08482	1.0
181.06439	0.7
194.07251	0.6
195.08032	3.0
197.06012	0.4
198.06781	0.4
211.07532	0.5
213.09076	6.1
223.07567	4.0
226.06212	1.9
241.08588	54.0
242.08919	1.5
250.37599	0.3
257.86285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0857
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
55.05506	0.6
56.96594	0.4
57.03430	0.4
57.07065	0.5
58.71500	0.4
65.03931	0.7
66.58472	0.4
67.05502	0.6
68.99794	1.9
69.07060	1.1
71.70687	0.4
79.05486	1.8
81.07053	1.0
85.25620	0.3
91.05473	17.1
93.03722	1.0
93.07010	0.9
95.04944	1.7
95.08583	0.8
97.10164	0.5
99.08071	0.4
103.05457	5.8
105.03374	1.9
105.04462	0.4
107.04954	6.2
109.06539	0.4
115.94338	0.4
116.05324	0.5
117.03355	0.4
117.07007	0.4
121.02848	0.4
123.04413	0.9
126.51560	0.3
128.06238	0.8
129.06984	1.2
131.04941	1.7
135.04404	63.5
136.04720	0.8
141.06946	0.9
143.08554	1.5
145.10130	0.7
150.03087	2.0
152.06209	2.9
153.06955	1.1
155.08488	0.5
157.06425	0.5
157.10056	0.5
163.03889	100.0
164.04243	1.5
165.07014	1.7
166.07744	1.1
167.08524	3.2
171.08089	0.9
176.06195	0.6
177.06961	1.5
178.07751	0.9
179.08540	0.7
181.06386	0.8
182.07220	0.4
194.07144	0.5
195.08101	3.6
198.06721	0.5
213.09102	6.2
223.07529	3.5
226.06242	2.0
241.08574	60.2
241.19562	1.2
242.08846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2365
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00306	0.9
53.03937	1.4
55.05245	1.7
55.05506	22.6
57.07072	100.0
61.87767	0.8
65.03928	1.3
67.05501	49.3
69.06702	1.4
69.07066	27.3
69.88079	5.1
71.04986	1.2
71.08629	63.5
72.04485	1.2
79.05489	4.1
81.07053	53.0
83.08616	29.0
85.06534	4.1
85.10177	28.3
88.02198	0.9
89.06049	1.0
91.05479	1.6
93.07040	2.6
95.08601	73.7
97.10162	13.2
98.21504	0.9
99.08071	1.9
109.10147	27.5
111.11723	1.8
123.11692	7.3
137.13240	3.6
155.76968	0.8
169.31018	0.9
178.07779	1.4
179.08578	0.9
179.14302	1.9
183.11729	1.5
193.10182	1.5
211.11264	1.2
223.11305	0.9
239.10760	5.3
239.18092	1.3
239.23625	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	237.1846
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01855	3.3
55.05497	7.6
57.07065	11.1
60.57930	3.1
67.05495	16.8
69.03403	4.1
69.07059	21.7
70.90820	4.3
70.91143	6.9
71.04988	100.0
79.05467	9.8
81.07045	23.4
83.04965	11.9
83.08606	5.9
89.06014	31.8
91.05470	10.1
93.07028	39.4
95.08563	16.5
97.06517	9.1
99.08073	10.4
105.07009	21.9
107.08566	23.8
109.06487	7.2
109.10128	19.6
111.04427	9.5
111.08055	6.0
115.21239	3.1
119.08574	17.2
121.10123	16.9
123.11691	6.3
125.09547	4.2
127.11203	22.4
131.08531	6.3
133.10114	9.4
135.11662	10.4
136.67749	3.3
145.10107	19.7
147.11674	47.6
149.09605	6.2
149.13243	58.6
151.11201	23.9
153.05447	3.4
159.11684	10.8
161.13277	4.2
163.11198	4.5
177.09038	4.5
177.12659	4.7
179.14299	7.5
181.12260	5.0
191.10683	4.4
195.06357	4.1
201.16374	9.5
209.11655	20.7
219.10210	3.8
219.17413	40.3
237.07622	8.3
237.11102	3.7
237.14763	5.6
237.18463	22.8
237.22156	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03917	2.9
55.01845	3.3
55.05508	14.1
57.03428	3.4
57.07060	8.0
57.77940	2.5
59.04982	7.0
66.11018	2.4
67.05488	19.7
69.03412	2.4
69.07059	20.0
69.73797	17.3
71.04984	12.9
71.24466	2.1
79.05481	18.8
81.07049	49.2
83.04963	8.1
83.08621	6.6
85.06531	27.9
91.05471	20.1
93.07030	52.3
93.98016	2.4
95.04930	6.2
95.08028	3.0
95.08600	47.8
97.06530	13.3
97.10169	3.3
99.08057	2.9
105.07014	43.9
107.08582	45.4
109.06503	5.2
109.10145	25.8
111.04455	5.3
111.08070	12.7
117.07008	7.2
119.08569	61.2
121.06493	3.2
121.10130	100.0
123.08037	9.3
123.11671	4.7
125.09618	15.1
129.67339	2.3
131.08543	11.6
133.10146	27.9
135.07996	4.3
135.11681	22.0
137.09586	7.3
139.11179	20.9
144.09270	3.1
145.10101	31.9
147.11650	6.2
149.02440	2.7
149.09625	8.3
149.13216	16.1
151.11150	2.8
159.11671	59.6
161.13258	68.5
163.11198	9.4
163.14845	6.0
169.31155	2.4
173.13327	5.6
173.38577	2.5
175.14810	14.5
177.12735	5.4
177.16353	21.6
181.08488	2.8
191.14188	3.7
191.17920	7.5
201.16370	63.7
209.11720	5.1
219.17409	64.0
237.07422	3.4
237.14796	3.7
237.18451	35.2
237.21997	5.0
245.37979	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	237.1483
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.39308	0.9
51.28279	0.7
53.55120	0.8
55.01857	1.2
55.05247	0.8
55.05504	9.8
57.03416	1.6
57.07063	4.5
67.05498	6.7
69.03410	2.8
69.07061	9.8
69.78239	3.3
69.78656	1.3
71.04974	1.9
71.08610	4.2
79.05479	9.4
81.07047	11.5
83.04972	6.1
83.08627	3.6
85.06533	1.3
91.05470	7.7
93.07038	14.9
95.04956	2.5
95.08597	10.3
97.06511	2.9
97.10149	0.8
99.08073	2.4
105.07025	9.4
107.08585	35.5
109.06512	6.1
109.10149	4.9
111.04447	1.1
111.08080	3.6
115.05470	0.8
117.06986	2.2
119.08569	8.6
121.06504	6.3
121.10130	34.8
122.07304	0.8
122.85670	0.6
123.08040	10.3
123.11694	1.8
125.05965	3.4
125.09546	0.9
129.06967	0.8
131.08536	6.5
133.10115	6.8
135.08038	67.8
135.11659	7.5
136.08865	6.8
137.09590	6.9
138.06732	7.0
139.07558	3.6
143.08534	1.0
144.09323	0.9
145.10107	4.3
147.11668	2.0
149.09598	18.8
149.13225	2.8
151.11145	1.6
153.09135	1.0
156.19801	0.7
158.10878	2.3
159.08023	0.7
159.11656	2.9
161.09673	0.7
163.03824	0.9
163.07478	2.1
163.11168	2.5
163.14810	23.2
167.07018	1.0
173.13254	12.9
177.12737	2.2
179.10701	0.8
181.08565	10.5
181.15927	0.9
191.14284	65.2
192.14963	2.3
193.15826	6.3
194.70818	0.7
195.13783	60.3
196.14073	1.0
201.12679	1.4
209.15363	11.1
219.13779	73.1
219.17320	2.5
220.14049	0.9
221.65915	0.8
237.14819	100.0
237.22095	2.9
238.15135	2.7
243.98642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1483
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.44444	0.8
52.94645	0.9
53.03934	2.1
55.01855	3.8
55.05510	11.1
57.03426	2.7
57.07073	4.7
59.04985	3.4
65.03949	1.3
67.05182	1.4
67.05494	12.5
69.03410	3.8
69.07061	13.7
70.96139	3.1
71.04973	4.0
71.08617	4.2
73.02888	2.0
79.05493	11.0
81.06618	1.7
81.07047	22.2
83.04971	9.6
83.08618	5.1
83.09019	1.1
84.32117	0.9
85.02901	1.1
85.06522	3.0
87.04391	0.9
91.05466	10.7
93.07038	21.9
95.04940	3.6
95.08596	17.4
97.06538	4.9
97.10156	1.9
99.04424	1.9
99.08091	2.6
101.02368	3.3
105.07018	12.0
107.04895	1.5
107.08588	41.6
109.06522	8.3
109.10137	9.3
111.04440	0.9
111.08064	5.3
117.06989	2.7
119.08572	10.3
121.06484	8.6
121.10136	33.9
122.07178	1.6
123.08080	11.6
123.11691	4.3
125.05983	5.1
125.09582	2.7
127.07557	1.3
127.11191	1.2
129.07011	1.3
131.08548	9.4
133.03468	1.3
133.10136	8.2
135.08043	61.0
135.11679	12.1
136.08887	5.7
137.06039	1.6
137.09610	8.6
137.13217	1.9
138.06743	3.8
139.07520	4.2
139.11137	1.1
143.08546	1.7
144.09270	1.1
145.10112	6.4
147.08014	1.0
147.11656	4.2
149.08499	1.4
149.09602	15.9
149.13208	7.0
151.11128	3.3
158.10896	2.7
159.08078	1.5
159.11676	16.2
161.09586	1.5
161.13232	2.6
163.03859	2.0
163.07541	1.9
163.11179	1.8
163.13541	1.3
163.14816	16.2
167.07053	2.3
167.14371	1.3
173.09647	1.1
173.13245	12.8
175.11201	1.1
177.05435	1.1
177.09218	1.8
177.12698	8.7
179.08577	1.0
179.10611	1.3
181.08609	21.5
184.71169	1.0
191.03372	2.1
191.14294	53.8
192.14418	1.0
193.15845	4.7
194.07397	1.5
195.13780	36.2
201.12682	2.9
201.16364	2.4
209.15353	7.4
219.13788	60.6
219.17371	5.1
220.14085	1.5
237.09314	2.4
237.14830	100.0
237.18314	6.9
237.22005	5.9
238.15202	2.5
238.47182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1482
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
55.05508	40.6
57.07062	4.3
67.05502	18.3
69.03423	2.6
69.07059	19.5
70.08876	4.0
70.09270	5.5
71.04987	4.2
78.58511	2.0
79.05476	8.3
81.07050	19.6
83.04977	51.1
83.08615	53.7
85.06521	2.5
85.10179	2.8
91.05471	9.7
93.07033	23.2
95.04960	12.4
95.07320	1.7
95.08590	26.3
97.06493	9.7
98.21417	2.4
105.07031	19.8
107.08580	42.7
109.06525	15.7
109.10149	39.0
111.04429	29.5
111.08057	8.5
113.05971	2.6
113.09623	11.7
117.06980	4.5
119.08564	8.1
121.06490	28.2
121.10127	23.2
123.08063	4.8
123.11697	9.4
123.80103	2.0
125.05956	6.4
125.09647	12.1
127.07551	6.3
131.08525	7.1
133.10094	19.2
135.08046	18.6
135.11649	10.8
136.08823	45.7
137.05823	1.8
137.09599	31.8
139.07515	12.0
145.06503	2.1
145.10088	4.1
146.07265	1.9
149.09633	2.9
149.12140	2.6
149.13246	30.3
151.11156	5.3
151.14790	5.3
153.09064	11.6
159.08037	2.9
159.11705	17.7
161.09607	21.9
163.11198	2.5
167.14310	5.0
173.13271	4.9
175.14897	2.4
177.09167	3.0
177.12746	28.5
179.10657	90.0
181.08586	2.6
184.94214	2.0
191.14259	3.6
191.17989	4.0
193.15851	1.9
195.13795	64.4
201.12715	5.0
201.16289	3.8
219.13771	7.2
219.17464	5.2
219.98413	1.9
237.07443	3.5
237.14833	100.0
237.18567	4.6
237.22174	4.7
238.15097	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	237.0869
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
50.61756	0.3
51.12947	0.4
55.01871	0.6
55.05496	1.7
56.05017	0.5
56.96561	6.1
57.03431	0.4
57.07058	1.1
60.04528	0.5
67.05504	2.0
69.03417	1.5
69.07055	1.5
70.06600	1.0
71.05002	1.0
71.08628	0.6
71.71901	0.5
72.08147	2.1
73.01476	0.4
73.02899	0.6
73.46925	0.4
74.02425	6.6
74.06078	0.4
79.05476	1.6
81.07041	2.1
83.04967	1.5
83.08607	0.7
84.04488	1.1
84.08125	1.5
85.02901	1.5
85.06532	0.7
91.05459	1.0
93.07022	1.6
95.04952	1.0
95.08591	1.6
97.02880	1.3
97.06518	0.8
97.10194	0.6
98.97579	1.4
105.07010	0.5
106.11880	0.4
107.08550	0.7
109.02834	0.5
109.06529	0.6
109.10146	1.3
111.04433	0.5
112.42362	0.4
114.16906	0.5
116.98607	1.7
117.04574	0.4
118.06501	2.0
121.10140	1.0
122.07144	0.4
123.08073	0.7
125.09646	0.5
128.04964	4.2
128.98582	0.9
129.10191	0.6
130.06519	0.9
131.08614	0.5
132.04446	0.6
134.99649	1.0
135.11684	1.0
136.93060	0.5
137.05974	0.4
139.03880	0.8
146.05995	100.0
146.99635	0.9
147.03218	0.4
147.06326	1.6
148.03896	1.4
149.09724	0.5
149.13234	0.7
150.00746	0.4
153.01807	1.2
154.94131	0.6
158.06052	0.5
163.03889	0.6
166.09473	0.4
168.03497	0.5
172.95226	1.7
173.07217	0.5
173.13301	0.5
174.05559	0.4
188.05928	1.2
190.96326	0.9
191.08125	1.6
192.06445	0.5
201.00787	0.6
206.07071	0.4
214.03706	0.5
219.07700	2.0
219.17426	0.4
223.16989	0.4
232.04848	2.0
237.03609	0.5
237.08870	3.8
237.14784	0.6
237.18387	0.4
237.22133	3.0
244.99631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0391
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
53.03938	1.2
55.01873	3.1
57.07059	0.9
65.03934	2.2
66.46886	0.5
67.05484	2.3
68.99775	1.4
71.01356	2.3
71.17089	0.6
71.17420	1.0
78.32096	0.5
79.01813	0.8
79.05491	8.1
81.07040	1.7
83.04974	3.4
89.03900	4.8
91.05479	8.7
93.03394	1.1
93.07022	0.9
95.04953	3.0
95.08585	0.6
107.04945	16.1
107.08572	1.0
109.10160	0.6
111.04440	3.9
117.03362	5.6
117.06993	0.5
119.04939	7.1
121.02840	1.8
123.04443	0.7
125.02327	0.5
135.04410	16.0
135.08028	0.6
137.02335	1.7
139.03891	11.5
145.02834	5.8
145.06453	1.0
145.10048	0.9
147.04404	13.1
149.02336	1.5
151.03947	0.7
152.73242	0.5
153.01826	3.6
153.05406	1.3
162.03134	0.8
163.03896	89.2
164.04234	1.2
165.01834	2.4
165.05455	1.5
167.03403	4.9
173.02333	1.9
173.05997	1.5
175.03857	4.0
177.01895	0.6
179.03416	1.3
180.04344	0.6
181.01311	0.7
181.04933	3.4
191.03380	100.0
192.03908	2.3
193.05046	1.2
195.02846	1.1
198.04874	0.5
208.03627	1.1
208.61888	0.5
209.04433	28.9
210.04747	1.2
219.02884	39.9
220.03265	0.9
237.03928	57.7
237.07359	4.2
237.14774	1.2
237.18481	0.8
237.22113	1.3
238.04247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.039
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
53.03936	1.3
53.32903	0.4
55.01856	1.3
55.04381	0.4
56.05788	0.4
57.07059	0.5
59.04997	0.9
65.03925	1.1
67.05504	1.0
68.99770	0.5
69.07057	0.9
70.73622	1.3
72.81951	0.4
79.05492	7.7
79.15218	0.4
81.07052	1.2
83.04980	0.9
89.03915	3.2
91.05468	3.9
93.03355	0.5
93.07040	1.2
95.04964	1.7
95.08601	0.8
97.60403	0.4
103.07578	0.6
105.03391	0.4
105.07022	0.6
107.04949	14.3
107.05680	0.7
111.04398	1.9
117.03369	3.7
118.31813	0.3
119.04930	3.9
121.02840	0.9
121.10149	0.5
131.04866	0.5
133.10147	0.4
135.04413	6.6
137.02330	0.5
139.03876	6.2
145.02811	3.7
147.04369	3.3
149.02322	1.0
149.13268	0.5
153.01810	1.5
153.05458	1.4
153.09032	0.5
162.03172	0.5
163.03896	55.4
164.04245	0.6
165.01874	0.8
165.05505	0.9
167.03435	2.1
173.02354	1.4
175.03871	0.9
181.01428	0.6
181.04958	1.6
191.03380	100.0
191.14317	0.5
192.03711	1.9
208.03690	1.2
209.04433	24.2
219.02881	19.7
219.05064	0.5
219.13799	0.5
237.03915	39.4
237.14777	0.8
237.22128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0345
Annotation	Isosorbide dinitrate
Peak:m/z	Relative Intensity
51.24431	0.7
59.27981	0.7
59.92109	0.7
62.97969	0.7
62.98258	9.1
67.56611	0.7
68.15221	0.8
69.56234	3.5
69.56643	2.5
84.50858	0.8
87.87170	0.7
97.48792	0.8
98.21436	1.3
104.99265	21.6
131.00821	7.4
132.98688	1.5
142.06726	0.7
172.27306	0.9
173.01857	2.3
219.02415	3.2
237.03442	100.0
249.38014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.039
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
52.58911	0.3
53.03938	0.8
54.59715	0.3
55.01862	1.2
55.05508	1.2
57.07080	0.7
59.49895	0.3
65.03915	1.0
67.05487	0.7
68.99790	0.8
69.07066	1.1
69.37864	3.2
71.04966	0.3
71.64571	0.3
77.03929	0.3
79.01840	0.3
79.05035	0.5
79.05486	7.5
79.64859	0.3
81.03408	0.5
81.07051	1.1
81.73057	0.3
83.04967	1.1
83.08626	0.6
89.03909	3.2
91.05479	4.1
93.03419	0.9
93.07040	1.1
95.04930	2.5
95.08601	1.2
97.06522	0.6
99.04469	0.4
99.08100	0.4
105.07021	1.0
105.32466	0.4
107.04948	13.5
107.08601	1.0
109.10147	1.0
111.04414	1.5
117.03371	4.3
119.04922	3.1
119.08588	0.4
119.69515	0.3
121.02866	0.7
121.10155	0.7
123.04385	0.5
135.03369	0.5
135.04404	7.9
135.08081	0.5
139.03888	5.3
139.11131	0.4
145.02805	3.6
147.04399	3.4
149.02324	1.3
151.11171	0.4
153.01822	1.5
153.05458	0.7
159.11679	0.6
163.03894	51.2
164.04269	0.8
165.01807	0.4
165.05585	0.6
167.03363	2.1
173.02341	1.5
175.03902	0.9
179.03362	0.4
181.01300	0.8
181.05016	1.6
189.01804	0.4
191.03378	100.0
192.03760	1.8
193.04922	0.3
195.02811	0.6
201.16370	0.4
208.03603	1.1
209.04439	23.1
219.02878	19.7
219.05101	0.4
219.13704	0.4
219.20891	0.4
224.38350	0.3
237.03925	38.4
237.14864	0.9
237.18405	0.4
237.22057	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
51.28492	1.1
53.03939	1.6
54.23761	1.1
55.01854	1.8
55.05509	19.7
57.03426	4.0
57.07072	44.1
59.04997	1.8
65.03941	2.7
67.05501	76.0
69.03420	1.4
69.07063	21.3
70.18967	5.8
71.04977	4.7
71.08622	5.3
75.66837	1.1
79.05033	2.3
79.05487	32.3
79.05943	2.2
81.07053	100.0
83.04967	5.9
83.08623	10.8
84.08945	1.6
85.06529	8.7
85.10177	4.6
91.05474	30.6
92.05776	1.5
93.07039	46.1
95.04977	5.8
95.08601	91.9
97.06520	11.9
97.10164	5.3
99.08078	5.7
105.07021	29.0
107.08591	30.2
109.06510	4.0
109.10149	41.6
111.08072	7.2
111.11752	1.7
113.05993	1.4
113.09628	6.3
115.50060	1.1
117.06994	2.9
119.08578	32.7
121.10139	47.3
122.10476	1.6
123.04445	2.3
123.08050	4.8
123.11695	15.8
125.09623	1.4
129.07030	1.3
131.08559	5.7
133.10132	35.1
135.11682	36.0
137.09601	7.2
137.13246	9.6
139.11179	2.9
145.10098	2.9
147.11687	23.9
149.13263	9.9
151.07542	1.3
151.11165	4.3
151.14830	5.9
153.12732	1.9
157.10109	1.5
159.11710	4.8
161.09622	1.5
161.13237	20.6
163.14825	4.4
165.12791	3.0
169.21919	1.3
173.13261	1.9
175.11116	1.5
175.14819	14.1
177.12732	2.1
177.16449	3.8
179.10660	19.7
189.16342	6.6
191.16394	1.4
191.17833	7.3
194.63583	1.2
199.14703	1.4
217.15968	4.2
217.19510	66.4
218.19820	2.0
235.06036	2.0
235.13185	4.1
235.16927	75.1
235.20595	89.0
236.20871	2.6
243.38080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2054
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03943	0.9
55.01878	0.8
55.05512	5.5
57.03444	0.9
57.07069	7.1
59.05008	0.9
65.03955	0.8
67.01862	1.4
67.05499	20.4
69.03421	1.2
69.07063	5.9
70.19831	2.2
71.04991	1.7
71.08635	1.3
79.05486	8.6
81.07049	23.5
83.04987	1.8
83.08610	3.2
85.06544	2.2
85.10175	0.8
91.05467	11.8
93.07035	13.5
93.07590	0.9
95.04962	0.9
95.08601	23.4
97.06513	3.6
97.10166	1.1
98.20795	1.0
99.08093	1.5
105.07011	9.0
107.04958	4.0
107.08595	7.8
109.06534	1.9
109.10152	9.8
111.08093	1.9
113.09622	0.9
117.07007	1.9
119.08570	14.0
121.06527	0.9
121.10134	11.0
123.08070	1.6
123.11704	3.8
128.06255	0.9
129.07001	3.6
131.08575	0.8
132.05733	2.2
133.10127	9.9
135.04414	4.8
135.11678	8.5
137.09624	1.6
137.13252	2.3
147.08028	3.5
147.11662	7.0
149.13239	3.0
151.11177	1.4
151.14798	1.3
157.06551	1.0
158.88324	0.6
159.11641	0.8
160.05206	1.2
161.09642	1.1
161.13266	5.2
163.03902	2.1
163.14778	0.9
173.13376	0.6
175.07533	100.0
175.14771	3.6
176.07892	3.8
177.09036	0.9
177.16373	1.5
179.10643	2.9
189.16338	1.8
191.17958	2.4
207.10222	1.2
217.15942	1.2
217.19485	17.3
235.07455	0.7
235.09648	11.2
235.13211	0.9
235.16959	12.5
235.20531	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	235.169
Annotation	Macrophyllic acid A
Peak:m/z	Relative Intensity
53.03936	2.2
55.01859	3.9
55.05502	13.1
57.03417	2.0
57.07072	24.3
59.04983	4.0
67.05499	31.5
69.03413	2.6
69.07057	12.8
69.87328	1.1
70.27993	4.5
70.28411	2.7
71.04978	3.3
79.05486	16.1
81.07048	44.5
83.04964	4.7
83.08613	8.3
85.06542	6.6
91.05470	25.8
93.07034	29.8
95.04974	8.3
95.08598	43.5
97.06537	5.8
97.10136	2.0
99.08073	2.3
105.07019	34.7
107.04971	2.1
107.08586	37.3
109.06493	8.4
109.10146	21.2
111.08061	4.6
113.09619	1.7
115.05422	2.3
117.07000	7.9
119.08569	100.0
120.08817	1.5
121.06511	2.1
121.10143	25.9
123.04368	1.2
123.08077	6.7
123.11700	11.2
127.13592	1.2
128.06216	3.0
129.06996	3.1
131.00417	1.4
131.08556	13.0
133.06493	2.3
133.10121	49.7
135.08031	17.1
135.11674	15.9
137.09618	9.2
137.13287	2.8
139.11131	1.4
142.07764	4.3
143.08517	9.8
144.09303	1.7
145.10117	14.0
146.07198	1.3
147.08018	6.5
147.11676	25.3
149.09628	2.7
149.13252	4.0
151.11165	8.1
151.14754	1.6
156.09358	3.6
157.10138	13.6
158.10889	3.2
158.70802	1.5
159.08038	1.2
159.11685	13.8
160.08835	3.1
161.09615	32.4
161.13251	10.2
163.14786	2.0
169.10033	1.6
170.10977	2.0
171.11656	9.8
173.09572	1.4
173.13258	20.8
174.13988	1.3
175.07541	26.2
175.11168	11.8
175.14792	18.5
176.07787	1.4
177.12776	7.4
177.16382	1.2
179.10689	15.0
184.12469	2.6
187.11081	2.4
187.14812	4.6
189.12711	3.8
189.16373	22.1
191.14241	2.0
191.17912	2.0
193.15863	3.6
199.14795	14.9
217.15872	89.3
217.19257	18.3
218.16319	2.3
235.05914	1.9
235.09610	3.6
235.16914	82.9
235.20453	22.5
236.17249	2.6
241.29430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1326
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
53.03939	2.1
55.01864	3.2
55.05510	14.5
57.07072	17.0
65.03934	1.4
67.05505	6.5
68.99792	1.1
69.03419	1.3
69.07062	3.3
71.04987	1.2
71.14458	1.3
72.99805	0.5
73.06553	1.0
74.62522	0.6
78.33407	0.5
79.05487	12.5
81.03420	1.1
81.07050	10.2
83.04980	1.1
83.08630	1.2
85.06541	1.3
91.05472	16.7
92.06210	0.6
93.07043	22.2
95.04950	4.6
95.08598	9.4
97.06525	2.6
103.05476	0.7
105.07023	12.2
107.04948	2.5
107.08591	11.1
109.02850	0.6
109.06501	5.0
109.10152	3.6
110.07169	0.6
111.08069	1.0
115.05464	2.2
117.07008	2.4
119.04916	0.6
119.06078	0.7
119.08571	6.8
121.06512	3.1
121.10156	4.3
123.04423	1.8
123.08055	4.8
123.11716	1.5
125.05984	0.9
127.07571	0.8
128.06229	0.8
129.07004	1.8
129.07892	0.6
131.08560	2.2
133.06505	3.0
133.10121	7.0
134.07239	0.9
135.08044	75.3
135.11639	4.2
136.08418	1.1
137.06021	1.5
137.09601	1.4
137.13297	1.0
138.10457	0.7
139.03900	0.6
142.07764	0.9
143.08533	1.3
145.06413	1.2
145.10097	1.6
147.08044	2.2
147.11702	3.2
149.09616	1.2
149.13257	0.7
151.03915	0.9
151.07541	2.4
151.11197	0.7
156.09370	1.0
157.10103	2.9
159.08075	0.9
159.11655	2.4
161.05997	1.6
161.09624	1.6
161.13277	2.8
163.07532	100.0
165.09024	0.7
171.11700	1.9
173.13295	1.2
175.07544	3.8
175.11177	4.0
175.14803	2.0
177.12770	1.0
177.16447	0.7
179.07057	6.3
179.10670	11.2
189.05460	0.8
189.09074	1.4
189.12721	2.5
189.16371	2.6
191.06978	0.8
193.08632	2.9
199.14771	1.2
207.10120	0.6
207.13824	2.6
210.82445	0.6
217.08702	0.8
217.12245	5.4
217.15741	3.6
217.19450	3.9
235.02385	0.7
235.05971	2.1
235.09579	2.5
235.13257	24.0
235.16899	49.2
235.20375	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	235.1326
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.02364	0.8
53.03933	2.0
55.01871	6.0
55.05497	5.8
57.03420	1.6
57.07070	28.8
57.82623	0.9
59.04988	1.2
59.54518	0.8
67.05495	11.0
68.99774	1.6
69.03051	0.9
69.03419	3.4
69.07061	7.6
71.01343	1.7
71.04961	2.9
71.37717	0.8
71.70847	0.9
71.71238	0.8
79.05484	20.8
81.03377	1.4
81.07052	32.5
81.31229	0.7
83.04975	4.7
83.08576	1.7
85.06529	3.5
88.07648	1.9
88.99960	0.9
89.05819	0.9
91.05469	24.2
92.06264	2.0
93.07040	22.7
95.04964	8.4
95.08603	18.4
97.06534	5.9
97.75578	0.8
99.00799	5.1
99.04475	4.1
103.05450	3.1
104.06268	0.9
105.07021	32.8
106.07790	0.9
107.04962	5.6
107.08592	16.8
108.46447	0.9
109.02879	1.3
109.06515	20.8
109.10123	4.2
110.81072	0.8
111.04449	1.5
111.08057	3.0
113.06057	1.2
115.05441	3.3
116.06239	0.9
117.06988	5.0
119.04926	3.1
119.08569	23.8
121.06489	28.4
121.10123	5.8
123.04427	4.5
123.08051	6.2
123.11669	1.9
125.05953	2.1
127.07530	6.5
128.06204	2.9
129.06981	5.6
131.08546	6.9
132.05669	1.6
133.06470	20.1
133.10126	11.9
134.07281	4.8
135.04384	1.7
135.08046	15.7
135.11656	3.4
137.05983	6.2
137.09607	1.8
137.13234	2.3
139.03937	1.0
139.07516	3.5
141.07004	2.7
142.07767	3.6
143.08578	6.9
145.06462	6.0
145.10114	5.3
147.04465	0.9
147.08044	12.9
147.11678	22.1
149.05983	5.7
149.09598	14.5
149.13235	2.2
151.03845	0.9
151.07523	10.4
151.11201	1.2
155.08530	1.3
156.09346	4.9
157.06491	1.8
157.10117	12.5
159.08055	2.5
159.11658	3.4
160.08827	3.1
161.05971	35.3
161.09564	4.0
161.13261	7.0
162.06744	8.7
162.10350	0.9
163.07536	6.1
163.11119	2.4
165.05516	1.8
165.06978	1.2
165.08981	1.0
165.12767	6.7
166.07782	1.6
167.06987	2.9
171.11674	12.9
173.09669	2.4
173.13232	1.3
174.10411	1.8
175.07547	38.3
175.11168	29.9
175.14719	1.5
177.07657	1.3
177.09077	7.0
177.12733	2.2
178.07805	2.2
179.07027	100.0
179.08383	4.4
179.10587	19.7
180.07390	1.8
181.10081	1.8
184.08682	0.9
187.18861	3.5
188.08304	1.7
189.05476	1.0
189.09076	1.4
189.12727	28.5
189.16351	3.7
191.10585	1.2
193.08592	1.5
193.12196	4.7
199.11168	12.8
203.06998	4.7
207.08057	3.7
207.13782	2.3
217.12222	43.3
217.15860	4.8
217.19510	2.5
218.12645	1.4
219.13725	1.0
235.05667	2.0
235.07530	5.0
235.09541	2.1
235.13260	39.0
235.16910	67.6
235.20528	13.9
249.44032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Pterosin N
Peak:m/z	Relative Intensity
50.91704	0.9
53.03942	2.5
55.01873	6.4
55.05508	7.6
57.03427	1.4
57.07070	26.3
59.05000	1.3
65.03923	2.0
67.05495	15.5
69.03423	4.6
69.07058	6.6
71.04992	4.1
71.44184	2.1
77.03915	1.7
79.05483	38.1
81.03410	1.3
81.07050	65.2
83.04971	9.7
83.08596	1.2
85.06535	1.9
91.05010	0.7
91.05473	26.3
93.07039	44.0
95.04962	14.3
95.08601	14.5
96.38998	1.2
97.06511	14.0
99.04448	6.9
101.06022	1.2
103.05447	3.0
105.04537	1.3
105.07021	43.6
106.07365	1.2
107.04948	12.4
107.08588	17.3
109.06509	39.5
109.10147	2.9
111.04454	1.5
111.08068	3.0
113.06059	1.0
115.05447	4.7
116.98521	0.8
117.06994	8.1
119.04925	2.7
119.08570	24.2
121.06496	100.0
121.10123	5.8
123.04445	6.2
123.08039	6.4
123.11686	1.1
125.05997	3.0
127.07536	14.0
128.06181	5.4
129.05531	1.3
129.07019	11.3
130.07779	1.1
131.04929	1.0
131.08525	7.0
133.06483	7.8
133.10101	12.0
135.04431	6.0
135.08051	17.2
135.11725	3.3
136.08804	1.9
137.05974	9.2
137.09567	1.8
137.13249	3.3
139.03914	1.4
139.07529	4.1
141.06969	3.4
142.07777	9.0
143.04953	1.1
143.08549	15.4
145.06468	4.4
145.10088	6.7
146.07222	0.9
147.04411	2.4
147.08051	9.1
147.11690	20.9
149.05988	1.5
149.09599	2.0
150.18314	1.0
151.03894	1.0
151.07565	3.0
151.11250	1.0
155.08578	2.6
156.09349	7.7
157.06451	1.8
157.10123	22.1
158.07216	1.2
159.08046	3.1
159.11713	3.3
160.08842	1.8
161.05956	4.7
161.09561	5.3
161.13266	6.5
163.07556	3.5
163.08807	1.0
163.11212	2.1
165.06900	1.3
165.12759	3.2
166.07683	4.6
171.08080	2.5
171.11687	19.4
173.05984	2.8
173.09618	3.7
173.13278	1.8
175.03915	1.3
175.07556	7.4
175.11172	43.2
175.14748	2.9
177.09154	1.7
179.07013	2.6
179.08479	1.2
179.08887	1.2
179.10654	17.9
181.10167	6.3
184.08844	2.5
189.05472	3.0
189.09122	2.6
189.12737	29.5
189.16411	2.1
190.13162	1.2
191.06993	2.4
193.04964	1.6
193.12227	2.5
199.11180	29.4
199.14888	1.6
203.06898	0.9
207.06496	1.1
207.13867	1.5
211.93947	1.1
217.04971	3.2
217.12225	58.8
217.15875	3.3
217.19426	2.2
218.12480	1.4
235.06047	4.0
235.09782	4.4
235.13287	38.7
235.16940	70.5
235.20270	4.5
236.17299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0963
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
52.86330	0.2
54.70849	0.2
55.01861	0.4
55.05487	0.3
57.07071	1.8
59.04974	0.5
67.01859	0.7
67.05491	0.6
69.03411	0.8
69.07018	0.2
71.43658	0.4
79.05485	1.1
81.07052	1.0
91.05473	3.7
93.07029	0.6
95.04974	0.4
95.08582	0.6
105.03369	0.2
105.07017	1.6
107.04942	4.3
107.08584	0.3
109.10159	0.2
117.07010	1.2
119.07768	0.3
119.08572	4.7
121.06467	0.3
121.10130	0.4
123.04398	0.2
128.06213	0.9
129.07002	3.5
131.04945	0.3
131.08524	0.2
132.05701	1.9
133.06473	0.6
133.10045	0.3
135.04407	6.2
135.07986	0.2
135.11632	0.3
143.08572	0.2
145.06442	0.5
147.08040	3.2
153.05452	0.8
157.06467	0.8
159.07979	0.2
159.11765	0.3
160.05209	1.9
162.03098	0.2
163.03880	2.4
174.06776	0.3
175.07530	100.0
176.07863	2.0
177.09077	0.9
179.10664	1.1
198.03508	0.2
203.06996	0.5
207.10088	1.5
217.15833	0.2
235.09637	10.7
235.13264	0.5
235.16931	4.5
235.20493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0963
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
54.69040	0.1
55.01865	0.5
57.07072	0.9
59.04986	0.6
60.21156	0.1
65.03938	0.2
67.01855	1.1
67.05495	0.6
69.03428	0.8
69.07053	0.2
70.68075	0.5
79.05482	1.0
81.07043	0.6
83.49112	0.1
91.05467	3.6
93.07037	0.6
95.04958	0.3
95.08599	0.5
103.05453	0.4
105.03381	0.5
105.07031	1.3
106.09953	0.2
107.04943	4.9
109.10165	0.2
115.05448	0.3
116.07098	0.3
117.07011	1.2
119.08572	4.6
121.06478	0.4
121.10127	0.4
123.11602	0.2
128.06227	1.0
129.06996	3.8
131.04906	0.3
131.08563	0.2
132.05701	2.6
133.06444	0.5
133.10110	0.2
135.04402	6.4
135.08022	0.3
145.06403	0.3
147.08043	3.3
147.11673	0.2
153.05444	0.5
157.05338	0.2
157.06422	0.7
160.05194	1.9
163.03899	2.3
163.07448	0.2
174.06760	0.4
175.07533	100.0
175.67560	0.2
176.07883	2.3
177.05461	0.3
177.09009	0.8
179.10689	0.5
203.07011	0.2
204.98540	0.1
207.10144	1.4
217.19479	0.2
235.09631	9.8
235.16905	1.9
235.20541	0.5
236.09952	0.4
239.60207	0.1
243.03134	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	234.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.5
57.03432	2.2
57.07069	1.0
58.06574	2.3
65.35779	0.7
69.07064	9.8
72.08156	1.1
79.05497	2.4
81.07053	5.6
88.61751	0.6
91.05481	1.6
94.04058	0.9
95.04988	0.7
98.21535	1.1
103.05450	2.8
105.07034	2.1
109.05069	0.7
115.05419	4.6
116.06235	1.0
117.06996	0.9
118.06601	0.7
119.03551	2.5
119.04926	1.2
119.08591	1.6
123.04427	6.3
128.06259	2.1
129.06987	10.7
130.04128	1.2
130.91194	0.7
131.04921	6.6
133.06502	1.5
136.06174	100.0
137.04572	2.2
137.05794	3.1
142.07753	1.1
143.04892	5.3
143.08540	4.1
144.05717	1.2
145.06470	1.8
147.04404	7.6
147.08037	1.1
148.05171	4.9
149.04759	1.1
149.05966	20.2
151.07510	0.9
156.09450	0.9
157.06490	8.9
158.07323	0.7
160.05200	3.3
161.05977	27.8
162.06738	5.5
163.07568	1.3
164.07051	42.1
169.06435	1.1
170.07190	1.5
171.08086	3.9
171.11726	4.9
173.05951	1.2
174.06714	1.2
175.07529	33.5
176.08234	1.3
178.55940	0.7
181.10229	0.9
184.08766	0.9
184.97911	0.7
188.08360	2.2
189.09048	3.8
190.10851	2.2
199.11212	5.7
217.12228	37.7
234.13464	50.3
234.15170	19.8
235.17082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
57.03428	2.3
57.07112	1.8
58.06612	1.0
58.81237	0.4
67.05533	0.5
69.07057	4.1
71.71071	0.7
72.08208	0.7
79.05523	1.6
81.07043	4.8
91.05505	1.4
93.07031	0.5
94.04046	1.0
95.04987	0.6
95.08627	0.7
103.05493	1.4
105.07053	1.5
106.06557	1.4
110.06777	0.5
115.05463	1.2
117.06989	0.6
119.03547	2.6
119.04961	0.6
123.04380	2.9
128.06224	1.0
129.06984	4.4
130.04068	0.4
131.04926	3.5
133.06516	0.9
134.48145	0.5
136.06168	100.0
137.04568	2.5
137.05806	0.8
139.76498	0.5
142.07719	0.5
143.04906	1.5
143.08533	0.9
144.05701	0.6
145.06558	0.5
146.06006	0.9
147.04361	2.0
147.08018	1.3
148.05150	1.9
149.05948	6.5
151.07428	0.4
157.06453	2.6
160.12050	0.4
161.05954	12.6
162.06703	2.0
163.07506	0.9
164.05624	0.9
164.07036	16.2
169.06409	0.4
171.07971	1.2
171.11646	1.5
175.07518	12.3
179.10588	0.8
188.08331	0.7
189.09055	1.2
190.10822	1.8
192.06529	0.7
199.11052	1.9
204.72737	0.4
217.12215	14.8
234.13287	56.2
235.13448	1.1
235.16969	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	234.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19221	0.2
55.05510	1.2
56.35377	0.3
57.03433	1.6
57.07070	0.6
69.07071	0.3
69.51141	2.6
69.88655	0.3
79.05483	1.3
81.07049	4.5
88.02182	0.3
94.04041	1.0
98.21413	0.5
99.08105	0.3
105.07039	0.4
119.03551	2.0
119.08657	0.3
136.06177	100.0
137.04573	2.2
137.06570	0.6
144.95341	0.3
149.05905	0.4
160.07507	0.3
161.05981	0.8
164.07053	1.3
175.07530	0.9
190.10822	1.6
199.11179	0.4
199.87595	0.3
217.12274	0.6
234.13469	61.9
235.13657	1.0
235.16846	1.3
238.55774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
57.03426	1.7
57.07075	0.9
61.01569	0.3
69.07098	0.5
71.08436	0.4
71.08781	0.6
77.21979	0.2
79.05494	1.4
81.07050	4.8
87.55722	0.3
92.34450	0.3
94.04058	1.3
95.08570	0.4
99.08041	0.6
116.21936	0.3
119.03544	2.5
129.07010	0.7
131.04909	0.7
136.06177	100.0
137.03729	0.3
137.04608	1.7
137.06572	0.4
149.05992	0.8
160.05196	0.3
161.05988	1.0
164.07028	2.4
175.07507	1.2
190.10835	1.7
199.11153	0.3
208.19562	0.3
217.12224	2.3
231.00130	0.3
234.13457	65.9
235.13713	1.2
235.16914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.1
56.96561	1.0
57.07065	5.2
58.74475	0.6
59.05006	2.7
64.93051	0.5
67.05490	4.0
67.49824	0.5
69.07059	3.0
69.86456	3.4
69.95014	0.6
70.02952	2.9
70.06544	0.7
72.04510	10.1
72.08134	0.5
73.02911	1.2
73.06542	0.7
75.04459	2.0
79.05489	1.0
81.07079	1.2
83.04980	0.9
84.04495	0.7
84.08112	0.7
85.06536	6.7
86.09673	1.0
87.04470	4.8
87.08128	0.5
88.03983	10.9
90.03796	0.9
90.05536	4.1
91.05471	0.8
95.04979	4.2
96.08104	0.9
97.06417	0.7
98.02405	3.8
100.03999	0.9
103.07569	3.4
104.07095	100.0
109.07623	0.7
110.07175	0.6
113.06001	2.1
114.05511	1.9
116.03475	3.3
124.07581	8.7
130.04993	4.4
130.08647	0.8
131.07080	1.3
136.06166	5.8
142.08611	3.1
151.04028	0.5
160.09694	1.0
166.08632	1.5
167.07060	1.2
174.11237	1.5
177.31479	0.5
179.10680	1.2
184.09692	6.2
198.11230	3.3
202.10724	7.7
206.73836	0.6
216.12282	11.8
228.17319	0.6
234.13409	16.4
234.15417	0.7
235.16852	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1898
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03942	1.8
55.01846	2.1
55.05506	10.5
56.39010	1.4
57.07051	1.4
65.03939	2.3
67.05502	37.5
69.07062	8.8
71.04982	2.5
71.46138	2.9
72.63721	1.4
79.05486	37.6
81.07049	35.7
83.04958	4.2
83.08626	10.9
85.06515	4.2
91.05468	28.4
93.07036	44.7
95.04939	4.5
95.08605	26.1
97.06520	6.4
97.10149	2.9
99.08063	6.5
105.07029	25.7
106.82087	1.5
107.04929	1.7
107.08585	25.7
109.06494	3.2
109.10156	10.3
111.08059	5.0
113.09660	2.2
117.07011	9.2
119.08566	19.4
121.09264	2.8
121.10130	51.9
123.08021	4.5
123.11678	3.2
129.07002	1.7
131.08562	26.5
133.10120	38.0
135.11682	40.9
137.09595	7.5
137.13239	1.7
145.06456	1.9
145.10121	26.3
147.11655	15.1
149.13249	10.8
149.14261	1.6
149.36455	1.4
151.11168	6.6
159.11688	22.8
161.13257	3.1
173.05945	6.2
173.13260	13.0
174.06747	2.3
175.14841	4.0
182.22559	1.4
187.14839	11.7
189.16373	5.5
201.18517	1.4
215.10826	1.6
215.17943	72.6
216.18300	1.5
233.04440	1.7
233.08124	12.2
233.15231	6.6
233.18990	100.0
234.19273	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01859	1.1
55.05508	11.6
57.07053	2.5
65.03921	1.6
67.05500	45.7
69.07060	10.0
71.04996	2.6
79.05490	47.1
80.76840	1.1
81.07054	45.2
83.04967	2.9
83.08612	9.9
84.97843	1.1
85.06533	5.2
91.05474	34.8
93.07039	50.6
95.04944	3.7
95.08596	28.6
97.06519	7.7
97.10149	3.9
99.08088	8.9
105.07017	21.5
107.08585	31.5
107.18850	1.1
109.06499	2.3
109.10162	10.8
111.08081	5.8
113.09657	1.5
115.05506	1.2
117.07024	10.1
119.08570	23.7
121.10139	55.4
123.08049	4.0
123.11749	2.6
125.09606	2.2
129.06975	1.6
130.07726	1.3
131.08560	29.3
133.10120	45.1
135.08047	1.7
135.11684	54.5
137.09593	10.8
141.38737	1.4
145.10124	27.5
147.11688	15.8
149.09602	2.2
149.13245	13.0
151.11183	5.7
157.10202	1.3
159.11714	22.7
161.13249	3.9
173.06076	2.0
173.13240	15.6
175.14807	3.6
177.12677	1.7
187.14804	10.2
189.16330	8.3
210.31087	1.0
213.16263	1.2
215.17935	75.1
216.18265	2.5
229.31883	1.1
233.08075	2.4
233.15237	3.1
233.18988	100.0
234.08969	1.4
234.19279	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	233.1535
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
51.22263	0.8
53.03942	2.7
55.05503	7.1
57.07064	2.3
61.53212	0.8
62.52425	0.7
65.03953	1.1
67.05499	17.1
68.76648	0.9
69.03416	1.3
69.07053	6.5
70.16927	1.0
70.24062	3.4
79.05491	17.3
81.07054	34.0
83.04966	1.5
83.08621	4.5
85.06470	0.8
89.05532	0.9
91.05475	24.4
93.07039	29.0
95.04948	3.3
95.08601	27.9
97.06505	2.5
97.10123	1.1
98.20821	1.4
99.08067	1.3
103.05464	1.9
105.07027	38.3
105.07743	2.0
107.04970	2.0
107.08587	24.4
109.06484	2.0
109.10149	8.8
111.08056	2.0
115.05424	1.5
116.06229	1.3
117.06998	9.8
119.04935	1.5
119.08571	23.9
121.06504	4.1
121.10138	17.8
121.73591	0.9
123.08045	2.1
123.11713	1.7
125.05999	2.5
128.06215	1.3
129.07018	3.3
130.07794	1.8
131.08557	41.9
133.06439	2.2
133.09195	1.7
133.10123	20.3
135.08044	2.6
135.11693	13.6
137.05933	2.3
137.09616	2.8
139.07547	2.5
142.07777	1.2
143.08540	4.0
144.09344	1.8
145.06485	2.0
145.10114	39.8
147.11674	13.1
149.05959	2.5
149.09624	2.4
149.13271	3.8
151.07529	3.6
151.11131	1.8
155.08553	3.4
157.10095	3.8
158.10840	1.2
159.08034	3.3
159.11691	26.0
161.13254	12.1
163.07545	3.5
163.11115	1.4
167.08467	0.9
169.10060	1.2
171.11694	1.4
172.12415	1.2
173.09621	5.0
173.13280	6.2
175.11172	1.1
175.14807	1.2
177.05476	1.5
177.09100	10.9
178.06107	1.1
182.10938	2.5
185.13179	1.5
187.11185	3.2
187.14813	100.0
188.15169	2.7
189.16327	2.6
191.10637	2.7
191.14311	0.9
197.13232	6.5
200.25023	0.8
205.15872	4.5
215.14339	22.4
215.17896	18.5
233.04489	1.5
233.08061	1.6
233.11647	2.8
233.15358	49.6
233.19005	24.6
234.15622	1.6
250.12888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.21369	0.8
53.03932	2.1
55.05516	5.6
55.05736	0.8
57.07064	2.6
61.20510	0.8
67.05497	5.3
69.03418	6.3
69.07069	1.2
71.04989	1.2
71.70077	1.5
76.02186	1.0
76.07207	0.8
79.05487	47.9
81.03410	0.9
81.07051	7.5
83.04973	1.8
83.08604	5.0
85.02887	1.0
85.06541	3.1
87.04466	1.0
91.05474	9.6
93.07038	8.1
95.04948	6.3
95.08588	3.2
97.06522	2.2
99.44118	0.8
103.05420	1.3
105.07027	15.4
107.04944	51.0
107.08587	12.2
109.06513	2.4
109.10107	1.3
111.04401	0.8
111.08077	4.0
113.06021	1.1
115.05433	1.4
117.07005	6.5
119.08562	15.2
121.06451	2.5
121.09339	1.4
121.10129	7.8
123.08076	1.4
125.09632	2.8
128.06233	1.4
129.07022	2.5
130.07791	1.9
131.04868	1.0
131.08560	15.2
133.10121	8.9
135.08028	4.5
135.11743	1.0
137.09647	4.2
142.07764	2.5
142.67847	0.9
143.08539	2.6
144.09189	1.3
145.06494	2.2
145.10115	14.2
146.10912	1.2
147.08038	11.5
147.10612	1.1
147.11679	12.7
149.05885	1.0
149.09612	9.1
149.13240	2.6
149.16330	1.0
150.10355	1.2
151.25896	0.8
156.09332	1.0
156.61191	0.8
157.10136	6.3
158.10847	2.8
159.08061	3.2
159.11702	9.8
160.08830	1.0
161.09665	1.1
163.07594	1.1
163.11201	4.0
169.10146	1.5
171.11667	2.1
173.06001	6.4
173.09634	2.6
173.13261	9.2
174.06750	2.2
175.11183	18.8
175.91905	0.9
177.09167	1.3
182.10881	1.7
187.11142	2.1
187.14909	8.1
189.12784	4.2
191.14287	54.6
192.14621	1.0
197.13245	3.6
198.41594	0.8
215.14331	8.7
215.17763	1.0
217.15810	1.1
233.04298	1.5
233.08002	9.7
233.11621	2.9
233.15350	100.0
233.19131	3.7
234.15668	2.1
248.71332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.58122	0.6
53.03923	0.9
55.01862	1.8
55.05497	2.0
56.05011	0.8
57.07064	1.0
59.06632	0.8
60.18997	0.6
65.03931	0.8
67.05495	3.3
68.99760	0.8
69.03412	1.3
69.07058	2.6
70.86056	0.7
71.04987	1.3
71.70814	0.7
72.92236	0.6
76.02204	0.9
79.05491	7.8
81.07047	5.2
83.04961	1.8
85.06513	0.7
87.00806	0.8
88.07623	1.8
91.05473	9.3
93.07043	6.5
95.04932	3.9
95.08599	2.3
99.04450	2.7
103.05415	1.2
105.07023	20.6
106.07320	0.7
107.04942	6.8
107.08596	4.6
109.06498	2.2
111.04408	0.7
111.08052	0.6
111.94041	0.6
115.05415	1.6
116.06213	0.8
117.07014	9.0
119.04934	2.4
119.08565	6.2
121.06524	6.1
121.10117	2.9
121.85183	0.6
123.08031	1.0
125.05962	0.9
128.06210	1.6
129.07004	3.2
130.07779	7.4
131.04922	1.7
131.08578	6.6
133.06477	2.2
133.10138	3.6
135.04337	1.1
135.08026	2.2
135.11673	1.9
141.06969	1.0
142.07677	0.8
143.08533	4.9
144.09322	2.0
145.06493	4.9
145.10117	40.5
146.10585	0.7
147.08043	1.6
147.11665	6.4
148.08821	1.1
149.05882	0.6
149.09607	1.3
154.07796	1.1
155.08536	1.7
156.09366	0.8
157.10106	1.4
158.07277	2.6
159.08066	3.3
159.11705	11.1
161.06018	0.9
161.09770	0.6
163.07497	1.1
163.11180	18.8
169.10123	2.6
171.11697	1.3
172.05302	0.7
172.08817	1.3
173.09616	100.0
173.13295	1.7
174.09993	1.9
175.07544	0.9
177.09178	1.1
182.07295	0.9
186.18517	3.7
187.07542	0.9
187.11169	13.7
187.14867	3.6
189.12735	2.7
191.10669	3.7
197.09622	1.9
197.13216	0.8
205.08546	1.1
205.12236	3.9
215.10651	9.7
215.14250	1.4
215.17981	1.5
233.08046	2.7
233.11708	16.1
233.15306	6.3
233.19041	2.4
234.20660	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	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.97293	0.5
53.03943	1.2
55.01863	1.5
55.05515	1.7
57.70487	0.6
61.99536	0.6
65.03915	0.8
67.05493	2.6
68.99772	2.6
69.03414	2.1
69.07053	2.8
71.04976	1.7
71.61996	1.2
79.05492	8.4
81.07047	5.1
83.04963	1.3
85.02902	9.6
87.00813	1.3
91.05476	33.6
93.07044	6.9
95.04959	4.5
95.08604	1.9
97.06516	1.4
99.04453	3.5
103.05461	9.8
105.07024	55.0
106.07338	1.0
107.04946	8.5
107.08598	2.9
109.02861	0.8
109.06501	2.2
109.10138	0.8
111.04449	0.8
115.05439	2.9
116.06229	0.8
117.07007	9.2
119.04945	2.0
119.08554	6.9
121.06489	9.6
121.10131	2.2
123.04394	0.8
125.05962	0.9
127.07520	0.7
128.06204	2.3
129.06993	4.1
130.07768	6.6
131.04919	37.4
131.08571	12.2
132.05264	0.8
133.06483	4.4
133.10115	3.0
135.04430	1.3
135.08075	3.2
135.11655	1.9
137.05972	2.2
141.06982	1.2
141.39455	0.7
143.08542	4.1
144.05655	0.7
144.09320	1.2
145.06451	3.8
145.10115	43.6
147.08002	1.8
147.11681	4.9
149.05988	2.3
149.09631	1.7
154.07768	1.9
155.08543	1.9
157.10143	1.7
158.07283	3.8
159.04414	39.9
159.08025	3.3
159.11678	9.5
160.04805	1.3
161.05986	3.8
161.07149	0.8
163.03905	9.1
163.07549	0.8
163.11174	24.7
164.11580	0.6
169.10098	3.2
172.08797	1.0
173.09615	100.0
174.06743	1.5
174.09972	2.4
174.25467	0.7
175.07549	6.3
177.05469	13.7
177.08936	1.0
187.03902	16.6
187.07553	1.2
187.11169	14.7
187.14902	3.1
189.12752	3.0
191.03447	3.2
191.07022	1.7
191.10638	4.2
197.09576	2.1
197.13417	0.7
199.73775	0.7
203.07045	5.8
205.04953	34.0
205.12206	3.1
206.05280	0.9
215.03378	8.9
215.07246	0.9
215.10664	17.7
215.14246	2.0
233.02077	1.1
233.04439	22.9
233.08008	5.5
233.11697	20.0
233.15320	5.6
234.04803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32443	0.7
55.05508	0.9
56.96327	0.5
56.96564	7.3
61.02910	0.7
67.05486	0.9
69.03413	0.9
70.06573	2.1
72.08151	7.2
81.06967	0.7
83.04973	1.0
84.04523	1.1
84.08147	3.0
85.02883	1.5
86.09702	3.0
95.04964	0.9
97.02888	0.6
98.20688	1.5
98.97593	1.2
100.02554	0.8
100.99137	0.8
101.00874	2.6
104.07096	0.6
110.97504	0.9
111.02063	2.0
111.04458	1.3
111.65367	0.6
113.05966	0.6
114.05513	8.7
114.26583	0.7
116.01269	1.1
116.32050	0.6
116.98592	0.8
119.01904	8.5
120.02589	0.7
123.45928	0.6
125.01822	1.0
128.98535	0.8
129.04025	0.7
131.01907	1.1
132.81151	0.6
133.03462	3.2
134.02296	1.5
137.02946	1.5
143.01915	6.1
144.98079	0.7
145.03477	3.5
146.99663	1.3
151.04497	1.1
157.03426	0.9
159.03239	0.8
161.02962	13.0
165.00746	1.5
169.03433	1.6
171.03085	1.0
173.02943	1.6
175.04529	1.4
180.03613	0.8
184.04524	0.8
185.02878	2.1
187.02704	0.8
187.04500	1.1
190.98619	1.8
191.04025	1.9
194.03372	0.8
203.02249	1.6
208.99724	3.1
233.06319	100.0
234.06612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.044
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
50.31386	0.4
51.02377	0.8
53.03928	1.2
53.80186	0.4
55.01863	2.5
68.99783	1.1
69.57568	3.6
69.80244	0.5
77.03925	0.5
79.05496	2.1
81.07029	0.8
82.45154	0.4
89.03917	0.6
91.05475	2.5
93.07029	3.1
95.04964	2.9
95.08649	0.5
103.05457	18.0
105.03375	0.4
105.04490	0.5
105.07032	1.4
107.04938	1.9
115.05476	2.2
117.03351	1.2
119.04921	0.5
121.06488	3.5
131.04912	82.8
132.05264	1.5
135.04416	1.2
135.08066	0.5
145.02846	1.0
145.10147	0.8
147.04410	0.8
147.11623	0.4
149.05980	3.7
153.01816	1.0
159.04399	100.0
159.11708	1.0
160.04736	2.3
163.03889	25.0
164.04271	0.5
165.01894	1.1
172.05118	0.4
173.09566	0.5
173.13269	0.5
176.04710	0.7
177.05457	36.5
178.05801	0.7
187.03888	40.8
187.11235	0.5
187.14847	0.8
188.04311	1.1
191.03374	6.9
205.04942	86.8
206.05339	2.4
215.03366	23.2
215.14180	0.6
216.03728	0.5
233.04428	58.5
233.15268	1.5
234.04802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1013
Annotation	3,3',4-Trihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03939	2.6
55.01864	3.7
55.05506	9.2
57.07086	1.6
58.97319	1.2
65.03916	2.3
67.05499	5.1
69.03090	1.3
69.03423	6.7
69.07049	3.5
70.00677	1.5
71.04996	3.9
71.34349	3.4
73.64111	1.3
74.04964	1.3
79.05484	9.2
81.07050	15.2
83.04980	37.9
85.02877	2.2
91.05473	22.2
93.07036	10.3
95.04963	97.0
95.08622	7.0
97.06485	1.3
99.04465	2.1
103.05482	5.5
105.07017	27.0
105.07657	2.5
107.04948	99.8
107.08583	4.8
109.06518	2.3
111.04436	38.1
115.05447	7.4
117.07016	20.1
119.04935	19.4
119.08591	12.5
121.02862	15.7
121.06518	6.9
121.10161	2.3
123.04429	4.0
125.06007	11.1
127.05474	1.4
128.06226	16.4
129.05495	3.2
129.07001	16.9
130.07764	2.4
131.04924	6.3
131.08563	21.1
133.06480	11.7
133.10130	6.2
137.05995	7.0
141.06981	4.6
142.07764	12.9
143.08549	38.3
144.05754	4.8
144.09395	2.7
145.06476	40.5
145.10115	18.2
146.10898	1.8
147.04393	45.1
147.08052	4.5
149.05984	3.8
151.07539	3.4
152.06247	6.5
153.05457	4.8
153.06987	4.1
155.06094	6.0
155.08543	7.0
156.09340	4.5
157.06454	15.6
157.10115	28.2
159.08035	10.9
159.11659	15.8
161.06010	2.6
161.09637	3.7
163.07550	1.6
165.07050	5.8
167.08562	6.6
169.10159	1.9
170.07275	6.7
170.10889	7.4
171.08052	28.1
171.11632	3.5
172.08707	1.6
173.05971	100.0
174.06291	2.7
175.07486	7.2
180.09390	1.6
183.08067	1.8
183.11725	2.3
185.09647	24.3
185.13254	61.6
186.13664	1.4
187.07584	4.9
187.14795	2.9
189.09131	12.9
195.08038	9.8
195.11707	8.5
198.06679	3.6
203.10675	1.8
203.14392	3.4
213.09117	18.0
213.12709	14.9
231.06581	2.9
231.10179	52.4
231.13757	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1014
Annotation	3,3',5-Trihydroxybibenzyl
Peak:m/z	Relative Intensity
55.01861	3.7
55.05490	4.1
65.03929	2.2
67.05489	4.1
69.03428	1.8
71.04968	2.8
71.06115	2.3
71.06486	2.5
79.05469	4.5
81.07050	6.5
83.04974	26.2
85.02309	1.1
85.02859	2.0
91.05469	16.6
93.07015	4.2
95.04961	91.5
95.08591	1.9
96.81496	1.1
97.06584	1.4
99.04480	2.8
102.26513	1.0
103.05436	4.4
105.07029	8.7
107.04943	88.3
107.08643	1.1
109.06512	2.5
111.04430	14.6
112.59615	1.2
115.05425	4.2
117.07011	14.4
119.04928	19.8
119.08571	4.3
121.02852	13.0
121.06483	3.0
123.04422	3.9
125.05986	9.1
127.05411	1.5
128.06215	7.5
129.06981	8.5
131.04907	6.9
131.08545	6.7
133.06482	12.5
133.10117	2.5
137.05933	6.6
141.06998	3.3
142.07765	4.3
143.08531	12.0
144.05690	4.2
145.06477	41.9
145.10091	7.7
146.07169	1.2
147.04401	44.2
147.08032	1.4
149.05942	3.7
152.06233	5.7
153.05565	1.4
153.06970	3.1
155.06033	6.2
157.06473	6.4
157.10095	7.8
159.08006	7.8
159.11711	5.3
161.06006	2.0
161.09619	2.7
165.07004	3.3
166.07704	2.0
167.08548	4.2
169.06442	2.0
170.07199	8.0
170.10931	2.2
171.04350	1.6
171.08043	24.5
171.11722	1.9
173.05968	100.0
175.07596	3.8
185.09604	23.3
185.13235	20.5
187.07544	3.3
187.14764	1.6
189.05508	1.2
189.09077	5.2
195.08038	7.2
198.06767	3.4
203.14299	1.5
213.09082	17.6
213.12726	5.4
231.10155	55.5
231.13663	15.1
232.10446	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	231.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
54.15067	0.4
55.01866	14.0
55.05505	1.5
57.03436	0.9
64.16579	0.4
65.03958	0.7
67.05492	1.2
68.42680	0.5
69.03414	0.8
69.07071	1.4
71.70415	0.8
71.70811	0.6
79.05490	4.6
79.82441	0.4
81.03409	14.2
81.07047	4.4
81.07449	0.6
83.01330	12.1
83.04971	0.6
83.08614	0.5
85.02889	1.2
91.05470	29.2
93.07034	3.5
93.60291	0.4
95.04980	1.8
95.08598	2.9
96.75643	0.4
97.06505	0.4
99.00812	0.8
99.04449	1.5
101.02367	1.1
103.05439	1.2
105.03396	0.6
105.07019	48.6
106.07352	0.5
107.04941	1.7
107.08578	1.5
109.02866	19.5
111.04414	1.0
115.05418	2.3
117.07009	8.4
119.04909	0.7
119.08559	4.8
121.06472	1.1
121.10101	0.7
125.05997	0.5
127.03902	100.0
128.04254	1.0
128.06223	5.4
129.06987	9.2
130.07767	1.0
131.04900	1.4
131.08551	8.0
133.06442	0.7
133.10121	1.7
137.05920	0.9
141.06970	2.3
142.07758	5.6
143.08551	17.5
143.09659	0.9
144.09300	0.8
145.04913	1.0
145.06464	1.0
145.09030	0.5
145.10127	8.0
147.08031	1.9
151.07544	0.7
152.06151	2.7
154.07784	0.8
155.08507	2.7
156.09370	2.3
157.06514	4.8
157.10107	13.5
158.10783	0.6
159.08040	1.2
159.11691	6.9
161.05989	0.6
161.09593	1.1
163.07536	0.8
165.06995	3.6
166.07716	0.9
167.08534	8.1
168.06584	0.8
168.09143	0.6
169.10112	1.2
170.10915	3.0
171.08052	2.4
171.11673	1.4
175.07542	4.3
180.09300	0.8
183.11630	0.6
185.09622	5.5
185.13252	24.0
187.14796	1.4
189.09131	1.9
193.98878	0.4
195.08032	4.0
195.11688	3.0
203.10597	0.9
203.14273	1.3
213.09138	3.7
213.12703	4.8
231.06522	0.9
231.10197	9.7
231.13763	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03929	4.2
55.05243	3.9
55.05506	74.5
57.03417	3.1
57.07061	10.1
59.05000	12.0
62.11969	1.9
67.05497	31.9
69.03412	15.6
69.07059	25.5
71.04980	13.3
71.16458	3.1
71.16791	3.9
79.05483	9.7
81.07048	29.3
83.04976	61.5
83.08607	39.0
84.20234	2.0
85.06537	33.9
91.05469	11.7
93.07034	20.3
95.04962	9.0
95.08610	24.8
97.06593	3.3
97.10161	7.1
99.08082	16.6
101.05996	10.9
105.07027	11.3
107.08581	41.6
109.06480	4.7
109.10146	100.0
111.08055	8.2
113.06004	3.1
116.21916	2.2
117.06950	2.4
119.08553	10.5
121.10118	13.1
122.20426	2.2
122.75781	2.6
123.08065	3.6
123.11705	45.0
125.09613	21.4
127.11182	36.9
128.06223	11.2
129.06984	4.6
131.04860	3.6
131.08546	6.7
133.10124	12.2
135.11684	31.6
137.09564	3.5
141.06969	7.5
141.12657	3.9
142.07765	7.3
143.08548	18.9
144.09303	2.9
145.06494	4.1
147.11656	2.9
149.13205	13.7
151.11147	9.8
151.14796	5.2
151.44621	2.1
153.06967	8.5
153.12752	16.3
154.07735	3.0
155.08549	14.1
157.10139	6.4
159.08084	4.0
159.11673	9.1
167.08560	2.7
167.14307	38.9
168.09329	26.8
169.10081	3.6
169.12230	62.0
171.07994	3.5
173.09589	3.2
175.14836	12.2
183.11664	48.7
185.15329	8.1
187.07584	3.7
187.11191	7.0
193.15880	27.3
201.12744	8.0
211.11183	7.4
211.16911	72.7
229.12216	32.4
229.17957	11.2
247.13240	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	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.36693	0.2
55.01870	0.6
55.05500	0.4
56.96558	0.9
57.03431	0.6
58.06595	6.7
59.07377	1.5
60.07855	0.5
60.08157	7.9
60.14310	0.2
63.56055	0.2
67.05495	0.3
68.05017	1.1
69.03416	0.4
70.06585	39.1
71.29379	0.6
72.08170	0.7
77.99181	0.3
79.05476	0.7
81.07035	0.7
85.02893	0.3
91.05476	1.7
93.07024	0.9
95.04979	0.3
96.08121	1.9
97.02888	0.4
98.06043	0.8
98.97570	0.9
103.05469	0.3
105.07023	3.4
107.08564	0.9
114.05516	3.9
114.09155	2.2
115.05422	0.7
116.07079	1.0
116.98581	0.4
117.07018	1.3
119.01883	0.9
119.08565	0.8
121.06491	0.4
124.07581	3.8
126.09137	0.8
127.03941	0.3
128.06209	3.8
129.06995	2.1
131.04974	0.4
131.08551	2.3
133.06390	0.3
134.01251	0.2
135.04477	0.4
141.06941	1.4
142.08635	34.3
143.08537	6.1
144.09241	0.4
145.06480	2.0
145.10085	0.9
147.08003	0.4
149.05957	0.5
153.01782	0.5
153.06943	2.2
154.07730	0.6
155.08540	4.5
157.06500	0.3
157.10106	2.4
158.10873	0.3
159.04491	0.3
159.08041	1.3
159.11694	1.7
166.07751	0.4
167.08559	0.8
168.09325	6.3
169.04941	0.3
169.10034	0.8
170.08118	1.4
171.08032	0.9
172.08635	0.3
173.05992	1.1
173.09549	0.4
173.13251	0.8
181.10019	0.3
183.11676	13.0
185.13234	0.4
187.07516	1.5
187.11157	2.3
193.10081	0.7
201.09067	0.3
201.12723	3.3
205.00011	0.3
211.11150	2.0
229.12248	6.5
229.15451	100.0
230.15782	1.6
247.13240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
56.96571	0.5
57.03429	0.5
58.06321	0.5
58.06598	6.5
59.07380	1.6
60.08161	7.5
61.02908	0.6
68.05022	1.0
70.06588	39.7
70.15018	1.5
72.08165	0.7
81.04546	0.9
85.02908	0.4
85.06535	0.5
95.06094	2.4
96.08122	1.9
98.06036	0.9
101.00899	0.5
105.07082	0.3
111.05581	0.3
114.05529	3.9
114.06293	0.4
114.06645	0.3
114.09160	2.1
116.07095	1.3
119.01911	2.5
124.07579	4.2
127.05034	0.9
128.02296	0.3
128.06197	0.5
129.06943	0.3
131.01901	0.5
131.08533	0.6
131.58336	0.3
135.03070	0.5
137.02908	0.9
139.95700	0.3
142.08632	36.6
143.08592	1.0
145.03455	0.9
149.02818	0.3
155.08325	0.5
155.87611	0.3
157.03499	0.7
157.10072	0.4
159.11632	0.5
168.09363	0.7
170.08122	1.6
171.08084	0.3
175.04454	0.3
183.07664	1.8
183.11566	2.9
187.00934	0.4
187.04393	0.5
199.91978	0.3
211.11172	0.3
215.00391	0.3
229.03174	1.6
229.11864	2.8
229.15460	100.0
230.15831	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	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.40358	0.9
55.01852	1.9
55.05503	9.4
57.03172	1.2
57.03429	19.6
57.07053	1.0
59.04998	5.0
65.03924	2.1
65.75416	0.8
67.05499	100.0
68.05835	1.5
68.79655	0.6
69.03410	1.2
69.07044	2.7
71.04989	4.3
79.05503	3.8
81.07043	16.0
83.08615	6.3
85.06524	2.9
86.62670	0.7
91.05471	11.3
93.07032	6.4
93.30479	0.8
95.04945	2.2
95.08599	5.9
95.55131	0.8
98.20621	1.1
103.05403	1.3
105.07031	9.4
107.04979	2.2
107.08597	4.7
109.06551	1.0
109.10146	80.0
110.10460	1.4
111.08050	3.1
115.05450	2.7
116.06169	0.9
117.07007	4.0
119.08573	8.7
128.06201	11.6
129.07024	7.2
130.07727	1.2
131.04932	0.8
131.08548	10.4
133.06444	1.0
135.04430	1.9
137.09605	3.9
141.06979	7.7
142.07777	7.9
143.08554	24.1
144.09251	2.6
145.06487	5.4
145.10164	4.5
149.05949	1.7
153.06966	9.8
154.07762	2.8
155.08549	16.0
155.10643	2.7
156.09390	0.8
157.10107	10.4
158.10677	0.9
159.08026	7.7
159.11673	6.4
167.08513	2.2
168.09331	26.8
169.10056	3.1
171.08026	2.8
173.05998	4.0
173.09532	1.8
173.11742	23.6
173.13234	3.3
175.11133	1.8
181.10110	1.9
183.11679	58.1
184.12091	2.5
185.13217	2.4
187.07539	5.2
187.11191	8.8
193.10042	1.6
196.08723	1.7
201.12744	13.4
211.11145	9.6
229.08591	1.9
229.12195	33.8
229.14354	19.7
229.19322	1.1
247.13202	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	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42440	0.8
55.05504	9.5
57.03168	1.2
57.03428	17.5
57.07069	1.1
58.42205	1.1
59.04986	6.3
59.83114	0.9
65.03922	1.6
67.05495	100.0
69.03423	1.3
69.07050	2.6
71.04966	3.2
71.73073	1.4
79.05471	4.4
81.07042	18.4
83.08612	7.1
85.06519	2.8
91.05461	12.6
93.07030	6.4
95.04946	2.7
95.08585	5.3
103.05460	1.3
105.07017	12.3
107.04941	1.2
107.08578	5.4
109.06466	1.4
109.10143	83.5
110.10493	1.7
110.11291	1.1
111.08061	3.9
111.45957	1.1
115.05415	2.6
117.07001	4.3
119.08556	9.7
121.06502	2.1
127.05429	1.1
128.06209	16.2
129.07004	9.5
131.04839	1.2
131.08543	9.9
133.06421	1.3
135.04361	2.2
137.09595	4.1
141.06950	8.7
142.07761	8.8
143.08546	29.1
144.09358	2.4
145.06453	5.3
145.10114	4.6
149.05952	3.1
153.06972	12.9
154.07707	2.7
155.05978	1.0
155.08533	19.7
155.10645	3.4
157.10112	13.2
159.08022	5.1
159.11685	10.1
165.06960	1.4
167.08560	3.7
168.09326	31.4
169.10066	4.5
171.08038	4.1
173.05969	4.6
173.09555	2.0
173.11745	23.6
173.13210	3.6
175.11259	1.1
178.07832	1.3
181.10136	2.0
183.11679	73.2
184.12210	1.9
185.13226	2.6
186.10403	1.9
187.07495	4.5
187.11140	9.0
193.10162	2.5
196.08679	1.2
201.09097	1.6
201.12726	13.6
211.11180	10.3
229.08626	2.3
229.12190	39.1
229.14360	18.8
230.12614	1.4
238.89011	1.1
247.13220	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	229.1222
Annotation	Mansonone C
Peak:m/z	Relative Intensity
53.03938	4.7
55.01834	0.7
55.05493	1.3
60.42339	1.0
65.03929	1.4
67.05482	3.1
67.42519	1.0
69.03056	1.3
69.03422	19.0
70.83090	2.6
79.05470	2.4
81.07038	3.3
81.83361	0.8
83.04961	3.0
91.05465	8.5
93.03377	1.0
93.07039	7.1
95.04932	2.7
101.80560	0.9
105.07018	11.2
107.08585	2.4
109.02189	1.4
109.02872	17.1
109.06489	1.9
109.10138	0.9
115.05451	1.9
116.06224	1.4
117.07014	4.2
119.08565	8.8
121.06473	8.4
121.10111	1.1
128.06219	9.1
129.06985	9.5
130.07736	2.4
131.08554	20.3
133.10103	10.0
135.04349	1.1
135.07985	1.3
140.96843	0.8
141.06943	4.6
142.07756	6.8
143.08546	27.5
144.09348	5.9
145.06464	6.9
145.10106	12.6
147.07985	1.6
149.05957	1.1
153.07007	7.1
154.07727	2.8
155.08542	13.2
156.09319	2.5
157.06488	1.0
157.10129	7.7
158.07291	2.1
158.10881	14.9
159.08054	12.0
159.11678	13.0
161.09502	1.4
165.51230	0.8
167.08522	2.8
168.09326	16.7
169.10126	2.8
170.10916	7.2
171.08026	8.2
171.11737	1.7
172.08792	8.1
173.05995	3.5
173.09619	36.3
173.13243	41.1
175.07590	1.4
175.11188	1.4
178.07733	1.7
181.04848	1.0
181.06453	2.9
183.11684	37.1
184.12068	1.1
185.09642	2.2
185.13257	3.2
186.10368	26.2
187.07591	6.1
187.11162	62.4
189.09045	1.1
193.10133	2.5
195.08073	1.1
196.08820	5.4
199.07503	2.0
201.12723	57.9
211.11192	14.0
214.09781	4.8
216.70956	0.9
229.12218	100.0
230.12445	1.5
247.13295	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	229.0857
Annotation	Hibicutaiwanin
Peak:m/z	Relative Intensity
53.03928	1.4
55.01859	2.9
55.05493	2.7
57.03416	0.9
63.24528	0.8
65.03959	2.0
67.05497	5.3
68.99777	3.1
69.03413	1.5
69.07054	1.9
70.06567	1.3
77.03885	1.2
79.05483	7.6
81.03400	2.5
81.07048	6.3
91.05473	49.9
93.07053	7.3
95.04964	8.1
95.08624	1.1
97.02908	1.3
97.06508	0.9
99.57948	0.9
103.05450	3.4
105.07013	16.9
107.04945	100.0
107.08582	4.8
108.05266	1.9
109.02861	3.5
109.06544	1.7
109.10130	1.6
111.04438	6.3
115.05420	7.6
117.07023	7.6
119.04932	32.0
119.08578	4.6
120.05719	12.3
121.02839	7.3
121.06488	3.3
123.04440	3.8
127.05383	1.1
128.06212	21.8
129.06999	15.1
130.07750	1.3
131.04939	3.6
131.08559	18.2
133.06485	2.4
133.10075	1.3
135.04405	71.8
136.05237	5.0
141.06975	14.9
142.07785	14.9
143.08551	41.4
144.05692	1.3
144.09308	3.9
145.06490	12.9
145.10104	7.6
147.04433	1.8
147.08005	1.0
147.11652	1.6
149.05975	3.3
153.06975	21.7
154.07724	4.5
155.06001	1.0
155.08540	30.8
156.09233	1.9
157.06480	2.8
157.10101	16.2
158.07249	1.7
158.10889	1.5
159.04453	2.1
159.08064	13.6
159.11659	11.8
160.05179	1.2
161.05975	1.4
161.09612	1.3
165.06978	18.8
165.08237	1.7
166.07509	1.0
167.08545	3.5
168.05818	1.5
168.09335	40.7
169.06496	2.5
169.10124	5.7
171.08026	4.3
172.08791	1.5
173.05975	10.1
173.09607	5.3
173.13185	5.3
175.11247	1.0
181.00008	0.9
181.06508	3.6
181.10100	1.2
182.07356	1.4
183.08157	12.6
183.11681	96.1
184.12247	2.7
185.09552	1.3
185.13257	3.8
186.10446	1.6
187.07549	11.5
187.11171	15.2
193.06389	2.3
193.10118	4.2
196.08856	2.7
201.09120	3.5
201.12727	22.7
211.07573	9.1
211.11128	13.3
214.09906	1.8
228.07845	1.2
229.08601	89.6
229.12161	60.6
229.23608	1.2
230.09033	1.4
247.13240	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	229.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66381	0.6
53.03933	0.6
55.01862	2.3
55.05498	2.2
56.96561	15.8
57.03432	9.2
58.06596	7.0
58.99863	1.0
59.07378	1.1
60.08166	7.9
61.02923	13.2
66.23880	0.6
67.05482	2.0
68.05003	1.7
69.03413	4.3
70.06593	48.8
70.98116	2.3
70.99837	0.7
71.01339	0.6
71.04972	1.3
71.94100	1.1
72.08157	1.9
72.31465	0.6
72.93761	0.7
73.02907	8.1
74.03204	0.6
74.97589	1.2
75.04453	1.0
77.00897	1.0
77.30150	0.6
79.05471	1.5
81.03409	2.2
81.04516	1.4
81.07035	1.5
82.36269	0.6
82.99853	0.7
83.04963	1.3
84.04492	1.1
84.96025	1.5
85.02902	7.9
85.06548	0.7
87.04487	0.9
89.00800	1.4
91.00553	0.6
91.05457	4.5
92.01273	1.4
93.07047	2.4
95.04966	1.4
95.06098	1.6
96.01538	1.4
96.08118	1.9
97.02886	7.0
98.01348	0.8
98.06055	1.0
98.20792	0.9
98.97579	14.4
99.04429	2.0
101.00867	8.5
103.02401	1.1
103.03957	0.7
104.01293	1.1
105.07012	7.0
106.01012	1.5
107.08601	3.4
109.02876	1.9
110.01246	4.0
110.97590	3.1
111.02887	0.7
112.96732	1.6
113.00945	0.6
113.02413	0.9
114.05506	4.0
114.06657	2.3
114.09155	2.9
115.05453	1.6
116.06225	1.0
116.07086	1.9
116.98615	7.0
117.01972	1.2
117.07032	2.2
118.01022	1.5
119.01894	42.8
119.08587	2.5
121.01608	1.6
121.06492	0.9
124.07597	3.7
125.01816	1.1
126.02542	1.0
126.09102	0.8
127.01557	1.6
127.03922	2.8
127.04916	0.8
128.02328	10.5
128.06221	9.5
128.52425	0.7
128.98586	5.5
129.06992	5.7
130.01959	1.3
130.52567	1.1
130.97789	0.7
131.00163	1.4
131.01892	3.6
131.04939	0.6
131.08589	7.7
131.96133	1.0
132.00748	1.7
133.01593	2.3
133.03455	4.9
133.48964	0.7
134.02280	1.2
134.99641	3.5
135.03101	4.0
135.04037	0.6
137.01895	1.4
137.02905	12.9
139.01523	2.4
139.02510	0.9
139.04158	1.5
139.53134	0.8
140.02274	1.8
141.01266	1.9
141.06950	5.3
142.03529	1.6
142.07777	2.9
142.08646	34.3
142.96468	1.1
143.00172	1.0
143.01883	1.3
143.08562	17.4
143.52914	0.8
144.03622	2.3
144.09306	1.5
144.99808	3.5
145.01585	1.2
145.03432	6.3
145.06529	3.9
145.10149	2.3
146.53871	1.2
146.99646	6.3
147.01295	2.5
147.03201	1.0
148.02063	2.4
148.03748	1.4
148.04758	2.8
149.01198	1.4
149.02904	1.8
149.06012	1.3
151.04573	1.4
152.02344	0.9
153.06985	4.8
154.02017	0.9
154.07547	1.9
155.02855	0.8
155.08546	12.1
156.03506	1.4
157.02567	2.1
157.03598	1.3
157.10112	6.3
158.03352	0.8
158.99657	3.1
159.01250	1.2
159.07982	3.7
159.11667	4.0
160.02029	1.4
160.97540	1.0
161.01245	1.7
161.02997	3.5
161.05997	0.7
162.01758	3.5
162.99265	0.9
163.02676	1.4
163.04553	0.7
164.52110	0.7
165.00752	2.5
167.08589	1.0
168.01816	3.5
168.09343	16.5
168.99840	2.5
169.02553	2.6
169.06540	0.8
169.10092	2.2
170.08109	1.6
170.99672	1.8
171.08040	2.6
172.97598	0.7
173.01350	0.7
173.02959	2.0
173.05995	2.6
173.09644	1.3
173.13271	1.9
174.01802	1.4
174.99147	1.4
175.02808	1.4
175.04593	2.6
175.11137	1.5
176.03247	1.1
177.00668	2.3
177.02365	3.2
181.06497	0.7
181.10071	1.1
182.03290	0.9
183.02304	3.5
183.07674	4.5
183.11671	39.5
184.03110	3.6
185.13255	1.1
186.10408	1.0
186.96756	0.7
186.99210	1.1
187.00879	8.9
187.02663	1.5
187.04347	4.2
187.07544	2.9
187.11195	5.9
189.00694	4.8
189.02214	0.9
189.04185	0.8
190.03125	2.3
190.98708	1.0
191.00317	1.0
191.04016	0.9
192.02808	1.3
193.00214	1.4
193.03674	0.9
193.10110	2.1
196.08791	1.4
196.99342	1.5
197.01125	0.8
199.03770	0.9
201.00703	2.9
201.12701	8.8
203.02263	1.1
204.02840	3.1
205.00177	2.2
205.01950	1.4
205.05534	1.1
206.98126	0.9
207.01797	2.1
210.02518	1.3
211.11111	6.1
213.03455	2.1
215.00362	6.9
215.02206	1.1
217.00169	0.9
219.01817	2.7
220.04114	1.5
221.04797	1.1
223.01239	1.7
229.03214	5.3
229.08376	2.4
229.12181	23.0
229.15486	100.0
235.01340	0.8
237.02846	1.9
247.13309	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	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.05510	19.2
57.07063	4.5
59.05000	13.9
60.45572	2.1
67.05484	5.6
69.03426	31.4
69.07050	8.7
70.06625	13.1
71.04991	2.7
79.05477	5.3
81.07036	14.0
83.04979	37.0
83.08623	10.7
85.06530	8.0
91.05466	3.1
93.07014	10.1
95.04961	8.9
95.08595	13.9
97.06518	2.8
97.10162	12.5
99.04453	2.7
99.07478	2.4
99.08074	14.9
100.11245	21.2
105.07001	3.8
107.08605	20.0
109.06513	8.0
109.10146	8.7
111.08067	8.1
113.05959	6.2
119.08608	2.5
121.10156	12.5
123.08067	2.9
123.11652	2.7
125.09628	100.0
127.07518	3.5
127.11173	5.4
131.08553	2.6
133.10149	6.7
135.08031	7.1
137.09596	5.9
139.11215	2.5
141.09137	2.5
149.09610	19.1
149.13226	4.6
151.11197	6.8
153.09106	30.1
163.14816	7.9
167.06967	4.3
171.10130	4.5
173.13246	3.4
182.15437	2.5
191.14284	12.5
199.03893	3.3
199.11253	2.2
209.15321	58.7
227.06834	5.1
227.08711	5.1
227.10475	3.9
227.16306	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.73956	1.6
55.05505	7.9
57.07059	4.1
59.04995	12.3
65.03928	1.6
67.05502	27.2
67.12426	1.7
69.03438	3.6
69.07047	5.4
70.65264	4.5
70.65621	3.7
71.04987	3.7
75.50092	1.7
79.05485	5.9
81.07059	19.8
82.16945	1.5
83.04958	4.0
83.57632	1.7
84.84994	1.8
85.02898	62.5
85.06535	9.3
85.30637	1.8
90.94532	1.7
91.05467	5.1
93.07025	9.0
95.04970	2.9
95.08604	100.0
97.06541	2.3
97.10162	2.2
99.04437	5.1
105.07027	8.0
107.04961	2.0
107.08563	10.1
109.06509	7.7
109.10159	9.4
109.95554	2.1
111.04456	2.5
113.05981	8.2
117.07017	2.0
119.08581	11.6
121.10160	10.9
123.04442	1.9
123.08064	40.4
123.11705	51.1
125.05988	5.6
125.09668	2.6
127.07513	2.1
133.10117	3.3
135.11696	8.1
137.09613	4.3
140.10738	2.4
141.09093	3.6
145.10173	2.1
147.08084	2.1
147.11678	5.9
149.09634	14.0
151.07559	3.3
161.13251	7.8
163.11211	4.6
165.12759	6.8
168.10098	1.9
169.08554	3.0
179.14290	5.4
189.12747	6.9
207.13802	25.8
225.14885	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	225.0755
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
53.03949	3.2
55.01872	4.1
55.05494	2.9
56.96547	0.9
57.03437	0.8
57.07056	1.7
58.74261	0.6
61.02915	0.8
65.03911	1.3
67.05499	4.1
69.03397	2.3
69.07053	2.3
71.01303	0.7
71.04992	3.2
71.48137	1.3
77.03904	0.9
78.04704	2.2
79.05488	6.1
80.06264	1.4
81.03399	0.8
81.07053	7.1
83.04954	2.1
83.08604	1.3
85.02911	1.2
85.06535	1.2
91.05473	20.6
93.03391	1.4
93.07037	4.1
94.04187	1.7
95.04961	14.4
95.08614	4.0
95.59384	0.6
97.02868	1.1
97.06505	1.2
99.04430	3.4
103.05461	2.1
105.03378	5.4
105.04501	0.9
105.07019	4.4
106.04176	1.9
107.04908	3.8
107.08566	2.9
108.05725	4.0
109.06519	6.8
109.10152	2.6
111.04425	1.2
111.08038	0.9
113.09692	0.8
118.04170	1.5
119.04939	8.3
119.08582	3.2
121.02840	3.5
121.06490	2.9
121.10108	2.8
122.03609	2.0
123.04421	13.5
123.08064	3.6
123.11700	1.4
125.06003	1.3
125.09631	1.2
132.02078	5.2
133.02840	2.1
133.10115	1.8
134.03629	1.0
135.04434	1.8
135.11639	0.8
136.05180	14.3
137.05969	33.5
139.03932	1.4
140.04671	3.5
141.06972	1.2
143.08569	0.8
147.04401	9.5
147.11684	0.9
149.05949	2.0
150.06630	0.8
150.16946	0.6
151.03922	2.0
151.07533	28.5
152.08226	1.0
153.05452	1.1
155.07033	7.1
161.13231	1.6
163.11092	1.1
163.41508	0.8
164.04677	4.0
165.05464	12.0
165.06862	1.6
165.09042	0.9
165.12750	3.4
167.07047	2.9
167.08365	0.8
167.10709	1.6
169.08702	0.9
169.10107	0.9
175.03923	0.9
179.07024	100.0
180.04146	1.5
180.07445	2.0
182.07266	1.3
183.06503	11.9
184.88573	0.6
189.12666	1.6
193.04944	2.6
195.06505	1.2
197.08069	6.0
197.09610	1.1
207.06462	1.3
207.13750	2.8
225.05573	1.1
225.07378	17.9
225.09213	4.3
225.12845	0.9
225.14861	2.8
225.19676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.8
68.77601	0.7
69.07068	0.7
69.59595	5.3
75.88496	0.7
80.02824	0.7
84.96018	3.0
96.79730	0.8
98.97595	2.5
99.00542	0.8
101.00872	8.0
103.09609	0.8
105.03373	1.0
114.32655	0.7
116.98630	2.4
119.01907	58.1
120.01965	2.0
134.99837	3.2
137.02934	22.2
140.98849	1.3
142.03496	5.4
153.00914	2.9
158.99869	4.5
160.04530	1.9
161.02980	0.8
177.00931	100.0
178.01035	8.3
179.00786	1.6
179.03998	2.2
179.32442	0.7
182.87398	0.8
182.99803	2.6
183.06215	0.8
184.04573	1.4
193.04134	1.7
195.02052	1.4
200.02551	2.3
201.00826	5.7
201.02533	2.3
202.02658	0.8
214.58009	0.8
217.04036	11.8
219.01978	88.5
220.02078	13.5
221.02011	1.3
225.00699	4.3
225.07347	1.0
225.09283	1.2
242.03589	3.9
243.01848	11.1
243.10602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
51.02354	1.3
53.03936	1.6
54.46636	0.8
54.75489	0.9
55.01854	3.2
55.05491	2.0
57.03414	1.4
57.07070	1.8
65.03927	1.7
67.05515	4.5
69.03419	2.3
69.07047	2.5
71.04963	3.9
71.71522	1.5
78.04703	1.8
79.05482	5.3
80.06205	1.1
81.03409	1.6
81.07053	5.4
83.04958	3.9
83.08595	1.4
85.02888	2.5
85.06526	1.7
91.04929	1.7
91.05467	18.0
93.03383	1.3
93.07021	4.2
94.04164	1.0
95.04961	13.7
95.08581	6.0
97.06528	1.9
99.04432	3.3
100.11241	1.0
103.05412	2.1
105.03376	6.4
105.07011	3.1
106.04186	1.3
107.04923	4.6
107.08560	4.3
108.05717	4.0
109.06519	7.3
109.10133	2.6
111.04429	1.7
111.08034	1.6
111.11859	0.9
115.46069	1.0
119.01929	1.7
119.04933	7.4
119.08566	3.0
120.05643	1.3
121.02838	3.4
121.06520	4.9
121.10132	2.3
122.03630	2.2
123.04406	12.4
123.08015	3.6
123.11642	1.9
125.05943	1.2
125.09633	1.7
132.02040	4.2
133.02838	1.7
133.10170	1.1
135.04382	2.3
135.08012	2.3
136.05183	14.2
137.05962	34.0
137.07013	2.2
137.09634	1.8
139.03879	2.8
140.04678	2.5
141.07019	1.2
143.01823	1.8
147.04396	10.2
147.08018	1.2
147.11649	2.1
149.05913	2.1
149.09602	1.4
151.03868	1.8
151.07532	26.9
155.07027	8.2
161.02968	1.9
161.09552	1.0
161.13226	2.1
163.03903	1.3
163.07545	1.3
163.11185	2.7
164.04633	2.6
165.05495	16.5
165.06912	1.4
165.09042	2.9
165.12691	1.8
167.07008	2.1
167.10658	1.9
179.07019	100.0
180.04192	1.8
180.07329	1.4
181.08582	2.7
182.07176	1.1
183.06517	13.9
183.41505	1.1
189.12749	2.3
193.04985	4.2
195.06487	1.4
197.08051	6.5
197.09610	1.7
207.06516	1.5
207.13777	3.6
221.05074	1.0
225.04094	1.1
225.07414	24.2
225.14835	4.2
225.19618	1.5
229.35928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09529	2.5
53.03919	3.5
55.01862	7.6
55.05492	7.7
56.05030	4.3
56.96560	100.0
57.03431	33.0
58.99865	2.6
59.04975	2.4
60.04511	7.9
61.02924	15.9
65.03931	3.0
67.05495	5.8
69.03417	25.3
70.06577	9.1
70.90049	7.2
70.90414	3.9
70.98112	6.3
71.04984	14.6
71.94089	5.7
72.08121	3.2
73.02905	12.6
74.97611	5.5
79.05476	5.3
80.05008	4.2
81.03419	7.3
83.04972	11.5
84.02393	2.8
84.04500	10.1
84.08130	10.0
84.96024	10.9
85.02898	31.8
85.06536	60.5
86.06053	13.0
87.04447	4.9
88.03967	8.2
88.99170	4.3
94.06552	5.9
95.01315	6.8
95.04948	5.6
96.44127	2.8
97.02857	14.6
98.03208	3.0
98.97571	27.5
99.04448	14.6
101.00845	4.0
101.02386	5.6
103.07558	15.4
105.06996	3.4
106.06532	3.3
107.04960	5.2
107.96039	4.6
110.97541	3.8
111.04479	4.1
112.96696	3.2
112.99114	3.2
113.02382	16.8
113.03445	5.9
115.02423	4.3
115.03931	4.8
115.39811	2.9
116.98594	19.6
117.01974	3.6
117.03699	16.4
119.01919	27.7
122.02729	4.3
122.05991	3.3
124.04646	6.3
126.03745	4.2
127.03893	19.3
128.98593	11.4
129.01855	6.3
130.04916	2.7
130.97684	3.1
131.00145	6.6
131.01897	7.9
132.08069	3.1
133.03458	10.5
133.05003	3.7
133.06459	4.6
134.99637	9.4
135.04759	14.0
136.07504	3.1
137.02945	7.2
139.53093	3.4
140.00156	4.5
143.00145	9.0
143.01779	3.0
143.03471	3.5
145.03436	3.9
146.04109	4.1
146.99611	7.6
147.03085	4.5
149.01195	6.8
150.05490	5.5
153.01917	4.1
153.05547	3.4
153.52811	3.4
154.97697	4.0
155.04604	5.4
157.01566	5.5
158.99623	5.4
160.04709	4.0
160.07547	4.6
161.01224	7.9
161.02916	8.4
161.04527	5.7
162.99219	3.6
163.02701	4.8
164.07043	9.9
165.00635	2.9
165.07471	8.4
169.28256	2.7
171.01280	4.5
172.98784	3.9
173.01189	11.1
173.02824	6.3
175.02747	6.3
176.07773	3.0
177.00706	9.4
177.02386	3.3
177.04221	6.8
178.02682	2.9
178.08582	15.4
182.99567	4.4
186.98987	3.3
187.00496	3.6
188.09268	4.2
188.54903	3.0
189.00772	5.1
189.02216	3.8
189.03787	5.6
191.02258	5.1
191.03996	3.0
193.00168	3.3
201.00697	19.6
201.02434	10.8
201.04150	4.2
203.02142	3.2
206.08171	6.4
206.10164	6.5
207.06685	14.2
213.03630	4.8
218.97916	3.9
219.01724	15.5
219.03529	7.2
224.03917	6.5
224.09383	15.6
224.11205	5.3
226.04369	10.7
228.02260	4.2
237.02791	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	224.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09529	2.5
53.03919	3.5
55.01862	7.6
55.05492	7.7
56.05030	4.3
56.96560	100.0
57.03431	33.0
58.99865	2.6
59.04975	2.4
60.04511	7.9
61.02924	15.9
65.03931	3.0
67.05495	5.8
69.03417	25.3
70.06577	9.1
70.90049	7.2
70.90414	3.9
70.98112	6.3
71.04984	14.6
71.94089	5.7
72.08121	3.2
73.02905	12.6
74.97611	5.5
79.05476	5.3
80.05008	4.2
81.03419	7.3
83.04972	11.5
84.02393	2.8
84.04500	10.1
84.08130	10.0
84.96024	10.9
85.02898	31.8
85.06536	60.5
86.06053	13.0
87.04447	4.9
88.03967	8.2
88.99170	4.3
94.06552	5.9
95.01315	6.8
95.04948	5.6
96.44127	2.8
97.02857	14.6
98.03208	3.0
98.97571	27.5
99.04448	14.6
101.00845	4.0
101.02386	5.6
103.07558	15.4
105.06996	3.4
106.06532	3.3
107.04960	5.2
107.96039	4.6
110.97541	3.8
111.04479	4.1
112.96696	3.2
112.99114	3.2
113.02382	16.8
113.03445	5.9
115.02423	4.3
115.03931	4.8
115.39811	2.9
116.98594	19.6
117.01974	3.6
117.03699	16.4
119.01919	27.7
122.02729	4.3
122.05991	3.3
124.04646	6.3
126.03745	4.2
127.03893	19.3
128.98593	11.4
129.01855	6.3
130.04916	2.7
130.97684	3.1
131.00145	6.6
131.01897	7.9
132.08069	3.1
133.03458	10.5
133.05003	3.7
133.06459	4.6
134.99637	9.4
135.04759	14.0
136.07504	3.1
137.02945	7.2
139.53093	3.4
140.00156	4.5
143.00145	9.0
143.01779	3.0
143.03471	3.5
145.03436	3.9
146.04109	4.1
146.99611	7.6
147.03085	4.5
149.01195	6.8
150.05490	5.5
153.01917	4.1
153.05547	3.4
153.52811	3.4
154.97697	4.0
155.04604	5.4
157.01566	5.5
158.99623	5.4
160.04709	4.0
160.07547	4.6
161.01224	7.9
161.02916	8.4
161.04527	5.7
162.99219	3.6
163.02701	4.8
164.07043	9.9
165.00635	2.9
165.07471	8.4
169.28256	2.7
171.01280	4.5
172.98784	3.9
173.01189	11.1
173.02824	6.3
175.02747	6.3
176.07773	3.0
177.00706	9.4
177.02386	3.3
177.04221	6.8
178.02682	2.9
178.08582	15.4
182.99567	4.4
186.98987	3.3
187.00496	3.6
188.09268	4.2
188.54903	3.0
189.00772	5.1
189.02216	3.8
189.03787	5.6
191.02258	5.1
191.03996	3.0
193.00168	3.3
201.00697	19.6
201.02434	10.8
201.04150	4.2
203.02142	3.2
206.08171	6.4
206.10164	6.5
207.06685	14.2
213.03630	4.8
218.97916	3.9
219.01724	15.5
219.03529	7.2
224.03917	6.5
224.09383	15.6
224.11205	5.3
226.04369	10.7
228.02260	4.2
237.02791	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2055
Annotation	Laggerol
Peak:m/z	Relative Intensity
50.75060	0.8
51.39534	1.0
53.03936	1.8
53.70366	1.0
55.05505	14.5
57.07068	14.5
59.04996	1.9
61.11897	1.0
62.79697	0.9
63.98477	0.9
67.05499	11.4
69.03420	1.0
69.07063	35.6
71.04988	4.8
71.08254	1.4
71.08627	14.7
79.05477	8.7
81.07048	44.7
83.04974	1.7
83.08625	11.6
85.06516	2.0
91.05483	3.4
93.07032	24.5
95.04945	2.0
95.08598	41.3
95.09200	2.4
97.06514	3.1
97.10165	13.2
99.08061	3.2
105.06984	2.0
105.65382	0.9
107.04932	1.4
107.08580	21.4
109.10146	28.1
111.08094	1.9
111.11687	4.0
113.09628	5.0
113.13268	1.1
119.08620	1.5
120.22069	1.2
121.10149	18.9
123.10883	1.8
123.11696	21.6
125.09635	1.9
125.13274	1.4
127.11145	3.0
131.03838	1.0
132.84758	1.0
135.11685	20.3
137.13222	10.2
139.11182	3.3
141.12682	1.4
147.11620	1.4
149.02339	10.3
149.12115	2.0
149.13243	27.9
153.12727	1.9
154.34666	0.9
159.07980	1.2
162.03185	1.1
163.14810	3.0
179.08539	1.1
180.09341	1.5
182.36844	1.0
190.02446	1.5
205.19521	17.6
211.85179	1.2
223.05978	3.9
223.11151	2.6
223.13182	2.3
223.16951	2.7
223.20546	100.0
224.20924	3.8
225.04285	2.0
227.02272	1.7
229.57301	1.1
243.21632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.169
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
50.02293	1.8
54.38679	2.0
55.01870	2.2
55.05503	17.7
57.07070	12.5
65.03899	2.3
66.43059	1.6
67.05496	25.2
69.07061	21.8
71.04964	3.1
71.08620	3.2
71.36803	1.8
79.05485	13.5
81.07061	23.3
83.04973	5.0
83.08614	12.6
85.06525	3.1
91.05456	7.4
93.06447	3.4
93.07034	58.2
94.72775	1.8
95.08599	100.0
97.06522	4.7
99.08058	2.0
101.05988	6.5
105.06998	8.1
107.08585	88.4
107.14387	2.1
109.06467	4.6
109.10143	63.1
112.78802	1.8
115.07519	3.1
117.07007	2.3
119.08580	8.4
121.10137	57.3
123.08084	3.3
123.11686	17.9
131.08545	4.2
131.53587	1.9
135.08035	25.0
135.11661	8.2
145.10118	2.9
147.07797	2.4
147.11682	3.3
149.02310	5.3
149.09619	21.7
149.13254	3.3
153.09088	21.5
159.11658	3.0
161.13260	3.6
163.11171	10.8
163.12311	1.6
163.14795	25.5
165.77718	1.8
167.10669	26.7
177.16399	3.0
181.12238	6.4
187.14731	5.8
205.15883	11.3
205.19728	2.1
223.14861	3.9
223.16896	32.6
229.96848	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0236
Annotation	Mompain
Peak:m/z	Relative Intensity
51.02371	0.7
53.00311	0.4
53.03932	1.5
55.01859	0.5
55.05506	0.5
57.07050	0.4
65.03935	11.3
67.05497	1.0
68.99789	0.9
69.03410	0.8
69.61016	0.8
69.61430	2.0
77.03922	4.5
77.22482	0.4
79.01824	0.7
79.05472	0.6
81.03417	0.4
81.07039	0.7
83.04968	1.0
89.03911	0.3
91.05490	0.5
93.03397	7.7
93.07047	0.8
95.04937	2.3
95.08600	0.6
97.02876	0.7
99.42516	0.3
103.01832	0.7
103.05441	0.6
104.83890	0.3
105.03380	8.7
105.04488	0.7
105.06996	0.9
107.04925	0.5
107.08597	0.7
111.04435	9.3
115.05483	0.7
119.04941	0.5
120.02074	0.9
121.02856	13.9
121.06474	0.6
121.10111	0.8
123.04425	5.4
125.02345	0.5
131.04898	1.6
133.02847	20.0
133.06520	0.7
135.04388	0.4
135.11678	0.4
137.02271	0.4
138.03117	0.5
139.03889	46.5
140.04225	0.7
146.37186	0.4
149.02327	16.2
151.03917	3.6
153.01857	1.1
153.05431	0.7
157.04912	0.4
159.00768	0.6
159.04372	1.0
161.05952	1.0
163.11276	0.4
164.01021	0.4
166.02597	0.7
167.03389	16.4
177.01820	18.5
177.05498	0.5
179.03351	1.4
179.07031	0.9
181.01338	0.9
194.02109	2.0
195.02881	55.1
196.03235	0.8
205.01343	2.2
205.04910	1.4
223.02361	100.0
223.13304	0.9
223.16852	1.1
224.02655	1.1
225.04265	1.4
227.02251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03942	1.6
55.01871	0.5
55.05508	11.5
57.07066	2.2
65.03935	0.6
67.05495	6.5
69.07064	96.8
70.07397	0.7
70.43333	0.4
70.43684	1.3
70.88918	0.3
71.04986	0.7
79.05487	11.2
81.07052	55.7
82.07424	0.4
83.04977	0.7
83.08617	3.2
91.05470	5.4
93.07040	24.3
95.04974	1.6
95.08601	15.1
95.09216	0.6
97.06533	1.0
97.10175	1.2
105.07027	5.9
107.08583	7.5
107.09262	0.5
109.06521	1.1
109.10149	18.7
111.08087	5.9
111.11712	100.0
112.12057	0.9
119.08585	5.8
121.06537	0.4
121.10143	5.6
123.11697	8.0
125.09654	0.4
127.11166	3.4
131.08614	0.5
133.06479	0.8
133.10136	4.7
135.11713	1.4
135.78757	0.3
137.09680	0.7
139.11189	3.8
145.10129	0.4
147.08020	0.6
147.11670	6.7
149.13235	0.8
151.11160	0.6
161.05977	3.1
161.13263	2.9
163.14796	0.7
175.14812	2.3
177.16466	0.5
189.05481	0.7
203.17940	11.8
205.14911	0.5
206.16217	0.7
221.04395	0.9
221.07997	1.0
221.11679	0.7
221.15379	1.5
221.18999	36.6
222.19273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.08387	1.8
53.03948	2.1
55.01871	2.0
55.05508	21.1
57.03422	2.9
57.07068	9.0
65.03896	2.3
67.05500	30.5
69.03432	4.1
69.07066	31.8
70.17625	10.0
71.04991	3.6
72.48338	1.8
73.06543	1.8
79.05486	16.8
81.07053	58.4
83.04995	5.6
83.08613	9.4
84.71182	2.0
85.06544	6.1
91.05455	14.6
93.07034	30.3
95.04958	4.7
95.08602	81.6
97.06515	16.6
97.10176	8.7
99.08089	6.7
105.07027	48.9
107.04974	2.8
107.08590	45.4
109.06517	7.9
109.10150	82.4
111.08064	26.1
111.11702	5.2
113.09594	2.2
119.08578	47.9
121.06519	5.9
121.10130	30.8
121.55520	1.8
123.08065	12.4
123.11700	25.3
125.09650	7.2
131.08586	2.9
133.06509	4.5
133.10124	46.4
135.11697	15.5
137.09630	8.4
137.13251	7.9
139.11223	5.6
143.08585	3.3
145.10114	2.4
147.04446	2.4
147.08023	2.5
147.11676	48.6
149.02417	2.1
149.13257	13.4
150.98433	1.9
151.03914	4.9
151.07599	2.1
151.11174	6.8
151.14891	2.3
153.09119	2.5
159.11612	2.9
161.06023	4.0
161.09654	9.9
161.13235	26.7
163.14822	22.6
165.09131	2.2
165.12764	6.7
175.07581	4.4
175.11342	2.3
175.14836	14.0
177.12703	2.1
177.16412	8.3
193.15727	2.2
193.19667	3.0
203.06999	3.1
203.10791	2.7
203.14352	2.8
203.17949	70.5
206.16248	5.1
221.04440	5.1
221.08041	4.9
221.11703	4.5
221.15425	9.7
221.19025	100.0
222.19514	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.02841	1.2
53.03940	2.1
55.01841	1.8
55.05512	11.9
57.07065	3.5
61.48722	1.4
67.05507	12.8
69.03408	1.8
69.07067	13.6
71.04618	1.5
71.04989	15.8
71.08662	3.9
75.77499	1.2
79.05483	16.9
81.07052	50.5
82.07383	1.6
83.08600	5.4
85.06519	1.8
91.05466	13.2
93.07038	37.2
95.04954	3.6
95.08602	28.5
97.06543	3.5
97.10179	2.5
98.97538	1.7
99.08099	4.6
103.05476	1.5
105.07020	24.4
106.07303	1.1
107.08587	58.9
108.08932	1.1
109.06520	5.3
109.10135	19.8
111.08101	4.6
111.11707	1.5
113.09637	1.5
115.05453	1.2
117.07033	2.0
118.60065	1.1
119.04927	1.9
119.08575	41.5
121.06497	5.3
121.10124	11.5
123.08083	5.1
123.11700	16.5
125.09611	2.3
127.11210	4.2
129.07030	1.7
131.08574	2.2
131.68483	1.3
131.97050	1.1
133.06509	1.3
133.10120	26.5
135.08000	1.8
135.11685	100.0
136.12062	1.8
137.05988	3.9
137.09621	5.3
137.13240	4.6
139.11215	2.6
143.08585	1.5
145.10159	2.2
147.04446	2.8
147.11671	22.4
149.06012	3.7
149.13234	6.8
151.03900	1.5
151.07585	2.2
151.11237	3.5
159.11713	3.3
161.05949	2.1
161.09636	1.9
161.13242	15.9
163.11145	1.4
163.14822	6.6
165.07054	1.1
165.09114	1.3
165.12756	1.7
175.07573	2.9
175.11156	2.9
175.14813	5.8
177.16348	2.5
178.92989	1.5
193.05009	1.6
193.15950	2.3
203.10597	1.3
203.14346	2.9
203.17960	31.2
206.16193	4.1
221.04468	5.2
221.07996	2.9
221.11758	4.1
221.15541	9.1
221.19020	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03928	1.8
55.05508	11.0
56.54091	0.9
57.07056	2.9
60.75921	0.9
62.77995	1.0
65.10675	0.9
67.05489	6.3
69.07064	97.2
69.64060	9.3
70.07364	1.4
79.05486	11.8
81.07053	56.8
83.08602	2.1
85.06493	1.1
91.05471	4.8
93.07040	27.1
95.04954	1.5
95.08597	16.6
95.09190	1.1
97.06479	1.2
97.10195	1.3
103.33368	0.9
105.07034	7.6
107.08591	9.4
109.09422	1.4
109.10151	18.3
111.08066	5.3
111.11711	100.0
117.33936	0.9
119.08562	4.3
121.10127	5.1
123.11696	8.1
127.11168	2.9
133.10126	3.4
135.11652	1.5
139.11185	3.6
144.58539	1.0
147.11668	7.7
161.13252	3.0
175.14780	1.9
203.17944	13.1
221.15605	1.8
221.18988	41.0
244.69746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.02380	2.1
53.00295	1.5
53.03946	2.3
55.01874	2.9
55.05508	18.6
56.96562	5.2
57.03433	2.2
57.07076	7.3
65.03943	3.0
67.05499	13.5
69.03413	4.0
69.07073	12.7
70.06574	2.5
70.10912	2.2
70.11211	7.5
71.04986	17.7
71.06930	1.9
71.08628	2.2
72.47861	1.3
73.06527	1.5
79.05495	20.3
79.76466	1.3
80.51243	1.3
81.03407	1.6
81.07048	56.1
83.04996	3.5
83.08618	7.3
85.06532	2.1
88.07629	2.8
89.07917	1.6
91.05464	18.5
93.07036	34.4
93.07591	2.4
95.04954	4.4
95.08597	35.2
97.06509	2.4
97.10176	2.4
99.08108	3.3
103.05473	3.3
105.07022	30.8
107.04957	2.9
107.08578	59.0
108.09029	1.3
109.06503	7.6
109.10152	25.4
111.08103	6.8
113.09667	2.2
115.05457	1.9
117.06987	2.5
118.02837	1.6
119.04961	3.5
119.08572	45.1
121.02845	3.5
121.06494	4.3
121.10139	14.7
123.08064	5.0
123.11691	17.9
125.09579	2.4
127.11192	4.8
129.06978	3.5
131.04903	4.0
131.08546	2.8
133.06496	3.4
133.10117	28.6
135.08044	1.6
135.11685	100.0
136.12015	1.8
137.05986	5.9
137.09595	6.9
137.13222	2.8
143.08594	3.5
144.05658	1.9
145.10120	5.0
147.04428	5.1
147.08057	4.7
147.11673	22.2
149.02333	35.5
149.13229	7.8
151.03920	1.6
151.11192	4.4
153.09109	1.9
157.10146	3.1
159.11732	2.5
161.05984	8.2
161.09663	4.4
161.13249	17.1
162.03081	1.5
163.07521	3.9
163.14842	4.3
165.05531	2.9
165.09096	3.4
165.12796	3.9
167.03407	2.0
171.08081	1.9
175.07562	16.7
175.11162	2.5
175.14832	6.8
177.16428	2.3
178.09851	1.4
179.07010	1.9
179.10770	1.5
185.13283	1.7
188.11949	1.5
191.07117	1.6
193.05022	3.0
196.54361	1.9
197.01181	3.3
201.55238	1.7
203.03255	3.6
203.07106	1.4
203.10686	5.5
203.14267	3.3
203.17949	32.1
203.20944	2.3
206.16156	4.7
210.55849	1.8
221.04446	12.1
221.08003	5.3
221.11723	5.8
221.15678	10.0
221.18983	42.1
221.22014	39.5
222.11349	2.3
225.00661	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.62790	1.7
53.03955	2.6
55.05506	30.5
57.07066	8.0
59.04984	3.0
67.05496	39.4
69.03412	2.3
69.06699	2.9
69.07061	39.5
71.04984	9.2
71.72322	3.6
74.63240	1.9
79.05480	20.0
81.07047	79.3
83.04971	48.4
83.08620	14.6
85.06528	5.2
88.49506	1.8
91.05447	14.1
93.07036	32.7
95.04937	4.0
95.08596	74.0
97.06512	5.4
97.10160	11.9
99.08086	5.9
105.07014	43.7
107.07840	2.5
107.08575	61.2
109.06525	6.6
109.10146	85.5
111.08064	9.9
111.11726	6.3
117.07009	2.2
119.08563	39.4
121.06516	4.4
121.10123	23.4
123.08064	5.3
123.11721	22.3
125.09628	12.5
131.08562	2.7
133.10129	36.5
135.11667	10.7
137.09621	6.2
137.13206	2.6
139.11174	4.4
145.10080	3.0
147.11665	44.8
147.12733	3.8
149.13263	7.1
151.11150	8.1
159.11742	3.6
161.13245	26.4
163.14825	15.0
165.12762	10.2
175.14810	15.2
177.16422	8.3
203.17937	100.0
204.18391	2.0
206.16212	4.4
221.04488	5.0
221.11708	4.0
221.15532	3.9
221.19006	70.2
233.01617	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.88214	1.7
53.03925	3.5
55.05506	18.0
57.07064	4.8
67.05500	28.2
69.03410	6.1
69.06757	2.3
69.07062	24.7
70.09782	6.8
71.04990	5.1
79.05498	12.3
81.07054	65.6
83.04961	3.9
83.08602	23.4
91.05484	12.1
93.07030	29.4
95.04951	2.5
95.08597	100.0
97.06524	21.2
97.10149	5.9
105.07020	25.8
107.08585	38.6
109.06494	3.6
109.10146	53.6
111.08082	17.3
111.11717	12.0
119.08574	25.3
121.10128	25.7
123.08049	2.7
123.11707	14.7
125.09612	7.5
127.11172	6.7
133.10121	21.3
135.11682	7.3
137.05864	1.7
137.09584	2.4
137.13220	7.0
139.11165	5.2
147.11684	30.3
149.13287	4.2
159.11714	2.1
161.13219	12.4
163.14799	16.7
165.12726	2.5
175.14810	10.4
203.17947	69.4
206.16167	2.9
221.11726	2.3
221.15445	4.1
221.18993	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05505	9.8
57.07077	3.1
59.04983	2.4
62.73846	1.2
67.05159	1.7
67.05497	20.5
69.06767	1.2
69.07068	14.1
69.95763	1.9
69.96168	6.4
71.04978	6.7
79.05488	10.5
81.07047	41.5
83.04963	3.3
83.08619	9.0
85.06534	1.6
91.05469	12.9
93.07037	26.6
95.04939	3.9
95.08599	64.8
97.06512	2.6
97.10155	2.9
98.20777	2.0
103.05460	1.9
105.07019	49.7
106.07371	1.6
107.08579	46.1
109.06491	3.6
109.10143	45.4
111.08062	6.0
117.06923	1.5
119.08566	100.0
121.10130	26.9
123.08016	2.1
123.11683	16.3
125.09624	2.7
131.08539	2.5
133.10118	40.6
135.08055	1.8
135.11691	8.7
137.09631	4.8
137.13293	3.0
145.10078	2.2
147.11670	55.0
149.13223	6.5
151.11151	1.9
161.05954	3.4
161.09647	2.8
161.13258	26.1
163.14810	18.8
165.05470	1.5
165.12694	3.6
175.07420	1.6
175.14807	32.3
177.16301	2.4
193.15901	1.4
203.17935	98.4
204.18320	2.2
206.16159	3.4
221.04370	4.1
221.07924	3.2
221.11604	2.5
221.13567	1.3
221.15372	5.8
221.19020	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	1.6
55.05512	15.1
57.03426	3.2
57.07061	5.3
58.60088	1.5
67.05511	18.4
69.07056	17.9
70.66396	4.9
70.66753	2.4
79.05499	8.1
81.07050	39.1
83.04986	2.6
83.08604	8.0
85.06511	2.2
91.05472	5.8
93.07037	18.7
95.08601	63.1
97.06524	17.9
97.10153	8.1
105.06364	2.0
105.07023	29.4
107.08590	30.4
109.10150	80.0
111.08083	20.5
111.11705	4.2
112.20619	1.5
116.62943	1.5
119.08572	34.0
121.10131	19.1
123.08061	6.2
123.11701	21.9
125.09592	4.1
127.11179	3.1
131.08513	1.5
133.10110	31.8
135.11670	10.5
137.09592	11.0
137.13225	8.6
147.10594	3.2
147.11678	36.1
149.13226	10.4
151.11226	3.8
153.12703	2.4
161.13235	21.0
163.14816	11.9
165.12766	5.9
175.14864	10.2
177.16360	2.6
203.17943	66.2
221.18993	100.0
226.19989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.32887	2.2
55.05506	14.8
57.07062	11.3
59.05006	2.8
60.85412	2.6
64.16042	2.4
64.60262	2.1
67.05502	38.3
67.65468	2.0
69.06735	2.8
69.07059	28.3
69.54681	6.0
69.55095	15.5
71.04964	5.9
79.05492	17.7
81.07046	75.7
83.04974	5.1
83.08591	11.7
85.06520	6.9
91.05455	19.0
93.07040	33.2
95.08012	4.6
95.08593	78.4
97.06500	4.8
97.10135	9.2
98.21473	5.2
99.08076	17.8
105.07020	50.4
107.08580	46.9
109.06470	4.6
109.10143	57.3
111.08070	8.0
111.11718	6.0
116.72226	2.3
119.07747	3.3
119.08570	46.2
121.10120	36.6
123.08051	2.8
123.11679	27.8
125.09595	4.9
130.88831	2.5
133.10132	27.7
135.11682	16.8
137.09576	3.0
137.13225	8.4
139.11147	13.9
147.11665	59.4
149.13229	7.9
151.11121	4.5
161.13248	20.1
163.14752	17.8
165.12753	7.8
175.14798	9.2
177.16364	6.0
203.17934	77.0
220.36165	2.6
221.18987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01872	13.4
55.05509	14.0
57.07059	8.9
57.83134	2.0
65.20322	2.4
67.05500	34.0
69.07063	26.8
69.93476	12.4
71.04993	4.7
79.05488	14.2
81.07050	77.3
83.04987	11.6
83.08618	10.5
85.06548	5.1
91.05465	19.1
93.07032	29.1
95.08592	69.5
97.06499	3.4
97.10149	8.5
99.08073	16.1
105.07020	36.5
107.08586	37.6
109.06508	3.0
109.10145	59.1
111.08103	5.6
111.11736	5.5
119.08564	35.8
121.10129	25.8
123.11699	26.6
125.09586	4.9
133.10114	33.9
135.11658	20.4
137.13245	10.9
139.11162	12.1
145.10091	3.2
147.11684	56.6
149.13280	6.9
151.11208	4.9
161.13268	18.4
163.14789	18.4
165.12766	6.6
175.14786	8.5
177.16426	6.1
193.19574	2.7
203.17941	61.7
221.11543	3.7
221.19002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.72427	1.5
54.72161	1.5
55.01868	2.9
55.05507	16.7
57.07069	9.3
59.04975	2.7
65.03935	1.9
67.05499	43.2
69.07065	31.1
71.04977	3.3
71.50986	4.1
73.76098	1.6
79.05484	22.1
80.05867	1.5
81.07050	87.2
83.04969	7.5
83.08604	13.1
85.06532	7.2
91.05470	29.2
93.07035	42.9
95.04989	2.6
95.08596	83.3
97.06518	5.9
97.10157	8.9
99.08072	17.3
103.05450	1.5
105.07019	67.3
107.07848	2.5
107.08584	46.9
109.06528	4.4
109.10145	62.4
111.08073	7.9
111.11694	8.7
113.09669	2.4
117.07037	3.2
119.08563	46.7
121.06493	4.6
121.10131	39.0
123.08070	3.7
123.10830	1.4
123.11699	28.5
125.09627	4.7
127.11195	4.0
131.08568	4.2
133.10114	34.5
135.08011	2.2
135.11687	22.5
137.09598	4.7
137.13208	8.2
139.11162	16.4
145.10141	5.1
147.08060	1.7
147.11673	89.6
149.13266	7.0
151.11224	2.0
161.05972	4.2
161.09633	3.3
161.13264	18.8
163.11121	2.7
163.14822	14.6
165.12746	3.6
175.14766	9.8
177.16388	9.4
203.17941	88.0
206.10875	2.6
206.16238	7.4
221.04443	4.8
221.11691	2.3
221.15384	7.2
221.19006	100.0
222.19276	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03932	3.3
55.01865	1.9
55.05502	20.1
57.03435	2.3
57.07069	9.2
59.04982	4.8
60.02856	1.6
67.05496	27.2
69.07063	45.7
69.94447	8.1
71.04983	5.2
79.05483	22.8
81.07051	100.0
83.04971	5.1
83.08620	11.1
85.06522	3.7
91.05479	21.8
93.07040	34.8
95.04972	4.6
95.08598	83.6
97.06536	10.6
97.10156	4.6
99.08090	2.6
105.07019	51.8
107.08586	52.0
109.06526	8.6
109.10143	55.7
111.08055	12.4
111.11738	7.8
113.09601	1.6
119.08578	41.5
120.53445	1.5
121.10143	31.0
123.08076	4.4
123.11700	26.1
125.09650	6.4
133.10121	52.6
135.11699	12.5
137.05952	3.4
137.09625	5.2
137.13219	4.2
139.11191	3.3
145.10104	3.2
147.11673	50.3
149.13275	7.3
151.11189	2.5
156.78453	1.6
161.05951	3.3
161.13251	19.9
163.14789	10.1
165.12732	3.2
175.07599	2.7
175.11205	1.7
175.14838	21.8
177.16457	3.3
179.03328	1.9
188.15573	1.9
203.17949	66.9
206.10880	1.9
206.16257	4.5
221.04448	4.3
221.08032	3.9
221.11606	3.6
221.15410	6.0
221.19017	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
51.02359	1.7
53.03939	4.8
54.29423	1.8
55.01861	12.4
55.05504	36.9
56.96547	2.1
57.03431	3.3
57.07081	10.9
59.04992	3.0
63.72608	1.7
65.03924	2.4
67.05498	24.3
69.03422	76.7
69.07066	17.4
71.04967	5.1
71.70440	3.5
79.05490	38.9
81.07048	79.8
83.04971	39.1
83.08595	12.2
85.06525	4.2
87.30627	2.2
91.05463	21.8
93.07034	25.6
95.04953	14.6
95.08595	32.5
97.06528	4.1
97.10156	3.0
99.04470	1.9
103.05445	3.8
105.07016	28.8
107.04951	11.9
107.08582	24.2
109.06503	34.4
109.10143	43.8
110.07314	3.3
111.04411	1.7
111.08075	28.0
115.05383	2.9
116.98615	2.1
117.06988	6.7
119.04910	5.2
119.08561	44.6
121.06479	10.8
121.10134	37.1
122.07259	5.0
123.08064	34.2
123.11702	4.4
125.09650	5.1
128.06200	5.2
129.06984	4.2
131.04933	3.4
131.08534	4.0
133.06467	6.7
133.10106	22.4
135.08022	10.8
135.11674	10.9
137.05966	51.5
137.09604	34.7
138.10373	7.2
139.11201	2.1
143.08539	9.4
145.06496	4.4
145.10120	10.7
146.03812	2.0
147.04428	5.4
147.08031	14.2
147.11656	8.4
149.09619	5.3
149.13275	2.1
151.03773	2.2
151.07541	17.8
151.11166	5.2
151.14809	2.6
153.09010	3.5
157.10077	3.6
159.11684	6.7
160.05212	3.1
161.05981	31.6
161.08287	2.2
161.09596	9.2
161.13229	11.7
162.06564	1.8
163.07541	3.4
163.11166	17.4
165.09117	7.9
170.10988	3.3
171.08060	7.0
174.06726	2.9
175.03922	2.8
175.07526	12.8
175.11243	3.7
175.14771	11.1
177.09113	10.9
177.12682	4.5
179.10545	2.0
179.14395	3.8
185.13303	3.3
188.08363	3.9
189.05455	2.2
192.15105	3.4
193.15807	19.0
203.03488	2.0
203.07042	5.9
203.10719	13.0
203.14296	6.5
203.17986	2.5
206.16193	3.8
221.04445	7.8
221.08051	5.3
221.11728	8.0
221.15356	100.0
221.18410	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	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.03924	0.5
55.01852	1.0
55.05482	1.5
56.96563	6.7
57.03417	1.4
57.07052	1.5
60.04499	0.7
60.95831	0.8
61.02911	1.0
62.08168	0.5
67.05500	2.5
69.03402	1.2
69.07041	1.4
70.06597	1.3
71.04993	0.7
71.63967	0.9
72.93788	0.6
73.02889	1.1
74.02418	1.0
74.06065	0.8
79.05465	1.2
81.03427	0.6
81.07053	4.0
82.02935	3.0
83.04946	1.5
83.08605	1.8
84.04477	0.9
84.08095	0.5
84.95989	0.5
85.02875	1.8
88.69965	0.5
90.05549	1.0
91.05447	1.6
91.05901	0.8
93.07034	1.8
94.06550	4.2
95.04942	1.3
95.08591	2.8
97.02880	1.4
98.97566	2.1
100.97169	0.6
101.02364	1.2
103.05448	0.9
104.04992	0.6
105.07034	2.5
107.04967	0.5
107.08582	2.3
109.02843	0.5
109.06481	1.7
109.10156	2.6
111.04427	1.0
111.08064	3.5
115.05423	1.1
116.07130	0.5
116.98606	2.4
117.05766	0.5
117.07040	0.7
118.99004	0.6
119.01881	1.0
119.03330	0.7
119.08591	3.1
120.08118	1.0
121.06499	3.0
121.10133	1.8
121.95809	0.8
122.06020	0.6
123.04419	0.5
123.08007	0.7
123.11732	0.8
128.98618	1.4
130.06520	70.8
131.06859	1.5
132.04442	47.1
133.06538	0.8
133.10091	2.7
134.06009	1.5
134.99634	2.0
135.08058	1.1
137.05966	1.2
137.09627	1.3
138.06662	0.5
139.96748	0.5
145.04968	1.2
146.05992	0.7
146.99635	1.9
147.04405	0.9
147.08070	1.0
147.09174	1.4
147.11688	1.2
148.07536	3.1
151.11148	0.8
153.01842	1.6
153.09065	1.6
153.40695	0.5
156.97525	0.6
157.06293	1.1
157.07607	26.9
158.06003	89.3
159.06343	1.7
161.01205	0.6
161.05945	0.7
161.09616	1.0
162.05513	2.3
165.09096	1.4
174.98701	0.6
175.08661	100.0
175.14804	1.7
176.07120	2.0
176.09003	1.9
177.00766	0.6
179.10593	0.9
186.05493	2.6
193.00211	0.7
193.04979	0.7
193.12299	0.6
193.15916	2.2
196.99518	1.5
203.08226	3.5
203.14322	0.7
203.17976	0.8
204.06522	6.4
205.15045	0.5
206.16292	1.8
215.98091	0.8
217.00172	1.8
221.04753	2.7
221.09253	19.5
221.11809	1.7
221.15318	3.7
221.18399	1.8
222.09590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0441
Annotation	Buntansin
Peak:m/z	Relative Intensity
51.02354	0.7
53.03936	1.8
55.01869	10.1
55.05511	0.6
55.59190	0.6
65.03927	3.8
67.05481	1.7
68.99781	1.5
69.03419	0.8
69.07053	1.0
73.63324	0.6
77.03912	2.2
77.34145	0.5
79.01851	0.6
79.05497	3.0
80.38255	0.6
81.07033	2.6
83.08604	1.0
91.05470	38.7
93.07024	1.3
95.04961	4.9
95.08582	1.8
101.03904	0.7
102.04691	1.0
103.05463	24.7
105.03375	3.5
105.04523	1.0
105.07034	2.0
107.04984	1.3
107.08546	0.8
109.06479	2.2
109.10126	0.7
111.08051	1.2
112.91168	0.6
119.04932	35.2
119.08545	2.4
121.02850	0.8
121.06452	1.5
121.10166	0.6
123.04411	0.9
129.03346	2.6
129.04364	0.6
131.04922	14.1
133.02788	1.7
133.10117	1.3
137.05942	3.3
147.04395	47.9
147.11688	0.8
148.04810	0.8
151.03896	1.3
153.01825	7.2
153.09068	0.7
157.02827	1.6
159.04402	14.4
161.06001	6.3
165.05464	12.3
165.09058	0.7
175.03897	60.6
175.14760	0.9
176.04443	1.2
177.05460	2.2
177.09090	2.5
179.03291	3.0
192.04237	0.7
193.04962	32.0
193.15895	0.8
203.03383	38.0
206.16309	1.0
221.04434	100.0
221.15337	2.0
221.17921	1.2
222.04773	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0443
Annotation	Buntansin
Peak:m/z	Relative Intensity
51.02367	0.7
53.00278	0.4
53.03929	2.0
55.01608	0.6
55.01867	10.3
55.05481	1.3
56.99353	0.4
57.07054	0.8
62.70504	0.4
65.03932	4.7
67.05503	2.4
68.99774	0.7
69.03422	1.1
69.07064	1.1
71.22604	1.1
77.03915	2.0
79.01837	1.0
79.05476	3.3
81.03422	0.6
81.07043	3.9
83.04935	0.9
83.08623	0.9
89.03912	0.6
91.05473	39.8
91.34769	0.5
92.05801	0.7
93.03416	0.6
93.07024	1.6
95.04957	4.9
95.08591	1.9
97.06516	0.5
101.03896	0.6
102.04700	0.9
102.44393	0.4
103.05460	27.5
104.05757	0.6
105.03396	3.2
105.04470	0.6
105.07000	3.0
107.04975	1.5
107.08577	2.4
109.06516	1.8
109.10130	2.1
111.04446	0.5
111.08061	1.4
116.06994	0.5
117.06998	1.2
119.04935	35.5
119.08572	3.1
121.06489	1.8
121.10164	1.4
123.04420	1.2
123.08071	0.6
125.02416	0.8
128.06165	0.5
129.03381	3.3
129.04202	0.7
129.07036	0.7
131.04907	14.3
133.02837	2.0
133.06467	1.0
133.10112	1.9
135.07993	0.5
135.11743	0.7
137.02350	0.7
137.05997	3.3
137.09605	1.0
139.03845	0.9
145.10155	0.6
147.04398	50.3
147.08086	1.0
147.11702	0.9
148.04674	0.8
149.02252	0.6
149.05908	0.8
151.03897	1.6
153.01816	9.5
153.09088	0.8
157.02832	1.9
159.04399	14.0
161.02338	1.1
161.05995	1.3
161.09633	0.6
161.13228	1.7
162.06741	1.4
165.05489	11.5
165.06839	0.6
175.03896	61.1
175.11143	0.9
175.14816	1.1
176.04428	1.7
177.05553	2.9
177.09085	16.3
179.03374	2.4
185.02390	0.8
193.04950	33.2
193.15959	0.7
194.05212	0.6
198.79239	0.5
203.03377	37.1
203.10721	0.6
204.03723	0.6
206.16203	1.0
221.04431	100.0
221.11679	1.6
221.15344	2.8
221.17677	0.9
222.04797	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.76042	0.7
53.77212	0.7
55.01863	1.5
57.07073	6.9
59.04987	6.6
67.05490	5.6
69.07066	6.2
70.02951	6.1
70.96080	2.2
72.04507	15.8
73.02902	3.5
74.02451	1.2
83.04958	0.8
85.06530	11.3
86.09704	1.5
87.08066	1.5
88.97928	0.8
90.05546	100.0
95.04944	7.9
96.08107	2.2
98.02411	13.8
100.03971	1.9
103.07568	7.8
113.06004	3.3
116.03445	15.1
124.07584	17.6
131.07098	0.9
132.10173	0.8
142.08636	7.6
153.17949	0.8
156.10233	1.6
158.11734	2.0
160.09686	1.8
166.08650	2.7
174.11276	2.5
177.46692	0.7
184.09662	18.6
202.10721	29.7
204.14696	1.0
205.15845	3.0
220.11775	25.4
220.17763	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	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03943	0.7
55.05493	2.6
57.07071	1.4
64.66346	0.6
67.05496	4.4
69.03420	0.9
69.07063	5.5
70.16879	3.1
72.69325	0.5
76.35201	0.6
79.05473	5.3
81.07045	11.6
83.04978	3.3
83.08653	0.7
85.06506	0.9
90.45831	0.6
91.05475	6.8
93.07040	8.9
95.04942	2.0
95.08595	9.3
97.06522	1.3
103.05458	1.5
104.24599	0.6
105.07022	12.8
107.04917	1.0
107.08582	9.3
109.06494	2.1
109.10143	3.2
117.06985	3.1
119.08568	14.2
121.06480	1.9
121.10130	10.1
123.08036	1.8
123.11674	1.5
125.09577	0.9
129.06958	1.5
130.07785	1.2
131.08549	9.3
133.10121	11.5
135.08038	1.9
135.11707	4.1
137.09631	0.7
137.13243	2.0
141.06963	1.2
142.07755	0.8
143.08531	1.0
143.25777	0.7
145.06433	1.5
145.09021	0.8
145.10118	14.6
147.08060	1.0
147.11674	6.2
149.09579	2.0
149.13222	0.7
153.00333	0.8
155.01923	3.7
157.10106	1.0
158.27156	0.6
159.08003	1.2
159.11670	14.2
160.12392	0.9
161.09599	2.3
161.13235	9.0
163.07529	1.2
163.11186	6.0
170.10971	0.9
171.01399	15.3
171.02856	1.0
173.09621	1.2
173.13249	7.3
174.06763	1.8
175.14807	4.8
176.04846	0.7
177.12686	1.1
187.11111	1.2
187.45799	0.7
188.11874	1.4
189.09029	1.4
191.14224	1.2
191.17802	0.7
194.03000	1.3
201.12675	2.0
201.16371	22.6
202.16786	0.8
203.14302	25.6
205.15829	1.2
219.06529	1.2
219.10318	3.2
219.13826	4.2
219.17418	100.0
220.17828	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	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05493	1.0
57.03423	1.8
67.05483	1.8
67.16026	0.9
69.07030	1.2
69.64902	4.4
69.65330	3.8
71.03484	0.9
79.05474	1.7
81.07050	2.6
91.05471	12.5
93.07024	2.2
95.04930	1.5
95.08595	1.7
103.05448	3.7
105.07016	4.9
107.08540	1.8
109.06509	1.1
109.10190	1.0
115.05433	12.5
116.06215	3.4
116.56703	0.9
117.06986	4.4
119.08599	6.8
121.10117	4.2
121.95134	0.9
128.06195	9.6
129.01474	0.9
129.06989	43.1
130.07719	2.0
131.04930	6.9
131.08551	41.2
133.10114	5.1
137.05946	3.4
140.06172	0.9
141.06981	37.0
142.07648	1.0
143.04948	2.2
143.08533	3.1
144.05725	5.5
145.06482	10.5
145.10109	3.5
146.07243	3.9
147.11655	1.9
148.05196	1.5
151.03902	1.2
151.07526	1.1
152.06419	1.1
157.06470	22.2
158.07263	21.3
159.04414	4.9
159.08032	24.8
159.11757	1.4
160.05156	6.5
161.05937	1.9
161.09616	4.9
161.13228	2.3
162.06787	1.1
162.61452	1.0
163.03902	1.8
163.07471	2.0
169.06458	15.2
170.07286	6.7
171.07988	1.4
173.05997	6.6
173.09566	2.3
173.13226	2.9
174.06749	80.0
175.07491	11.5
175.14859	1.7
176.04716	1.1
186.06752	21.8
187.07410	2.0
188.08302	5.2
188.11726	0.9
189.09087	100.0
190.09474	2.4
191.03365	1.5
191.07059	1.8
191.10674	8.0
201.05374	2.0
201.09088	43.2
203.14294	19.3
206.24120	1.0
219.03020	1.6
219.06653	2.6
219.10143	94.0
219.13745	2.6
219.17401	54.2
220.10387	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	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39670	9.6
54.29185	10.6
67.10618	9.9
69.39264	71.4
69.39683	43.7
79.19527	9.8
84.08132	13.7
87.53660	8.6
98.20735	17.2
98.97591	27.4
119.08618	10.4
130.08688	11.7
136.39407	10.1
194.15253	10.8
203.14388	13.0
219.02722	13.1
219.17392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0649
Annotation	Ancistronaphthoic acid B
Peak:m/z	Relative Intensity
55.01868	0.8
55.05493	1.1
57.07071	0.3
67.05493	0.7
68.99784	3.6
69.07059	0.8
71.05807	0.5
71.06152	0.7
79.05474	1.5
81.07054	1.3
83.04955	0.4
89.03906	0.6
90.01921	0.3
91.05474	5.2
93.07040	1.2
95.04961	0.8
95.08593	0.7
95.95657	0.3
100.11201	0.4
102.04704	0.5
103.05441	3.2
103.10676	0.4
105.07024	2.5
107.04949	0.5
107.08585	1.5
109.02881	0.5
109.10149	0.6
115.05441	12.4
116.06255	0.5
117.06173	0.8
117.07008	14.0
119.04919	1.1
119.08568	1.7
121.10136	1.6
123.08071	0.4
127.05401	2.5
128.06190	1.2
129.06981	0.5
131.04910	2.7
131.08549	0.9
133.02858	0.4
133.06483	1.2
133.10098	1.1
135.04446	0.8
135.08055	0.6
140.72919	0.4
140.97183	0.4
144.05710	0.9
145.06471	59.4
145.10115	1.5
146.06816	1.0
147.04407	1.4
147.11667	1.0
149.05978	0.5
151.03873	2.2
153.01839	0.5
155.04881	4.3
155.06039	4.0
159.04404	1.3
159.11652	0.8
161.13286	0.8
163.03943	2.0
163.07462	0.5
163.11035	0.7
173.05968	65.8
173.13208	0.6
174.06377	1.1
175.14789	0.7
176.04660	1.5
177.05438	1.5
182.15573	0.4
183.04424	4.0
189.09247	0.4
191.03343	1.3
191.07033	5.3
191.14381	0.4
200.04639	0.4
201.05450	100.0
201.16287	1.1
202.05843	2.0
203.14293	3.9
219.02937	1.8
219.06508	60.4
219.13953	0.7
219.17422	14.4
220.06895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1585
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03940	2.3
55.01863	3.3
55.05503	31.2
55.79775	0.7
57.03431	1.1
57.07055	2.8
57.13055	0.8
59.04998	4.3
60.58361	0.8
65.03940	1.0
67.05197	1.1
67.05494	12.8
69.03419	4.5
69.06699	1.4
69.07059	22.3
71.04971	1.5
71.44746	1.9
73.02903	1.7
77.03911	1.0
77.71226	1.0
79.05484	11.6
81.03415	0.9
81.07050	16.4
83.04970	44.6
83.08615	7.6
85.06525	4.3
85.19872	0.9
87.04458	4.6
89.02374	4.3
89.06015	8.5
91.05465	16.2
93.03378	1.0
93.07030	17.8
95.04947	11.3
95.08593	20.8
95.09204	1.2
97.06501	3.0
97.10145	1.2
99.04426	2.4
101.06004	14.8
103.05396	0.9
105.07015	33.6
106.07303	1.1
107.04949	1.0
107.08578	17.6
109.06506	5.5
109.10145	13.0
111.04430	53.7
111.08050	3.7
112.04723	1.1
113.05965	5.1
115.05428	1.5
117.07024	5.4
119.08565	66.6
120.08897	1.4
121.06493	3.4
121.10130	24.9
123.08065	4.4
123.11688	2.7
127.07529	7.9
128.06198	3.3
129.05473	18.3
129.06943	6.2
130.07765	1.7
131.04887	1.7
131.08546	16.5
133.06461	3.2
133.10115	34.7
135.08051	2.6
135.11659	9.9
137.05974	2.5
137.09570	1.9
141.06912	2.0
142.07777	6.3
143.08551	11.0
144.09355	2.0
145.10110	15.7
146.07179	1.0
147.04347	1.1
147.08031	8.9
147.11673	21.3
148.07697	1.0
148.08813	3.5
149.09596	3.9
149.13255	1.6
155.07014	64.3
155.08328	2.1
156.07358	1.4
156.09280	3.2
157.10107	17.1
158.10892	2.5
159.08003	2.0
159.11682	17.9
160.08780	1.7
161.05988	1.9
161.09601	23.7
161.13228	7.9
169.10074	1.8
170.10928	1.8
171.11658	8.0
173.08087	37.2
173.09532	1.5
173.11899	1.1
173.13242	15.3
174.08391	1.9
174.10356	1.4
175.07538	3.3
175.11151	12.0
175.14819	12.8
184.12401	3.5
187.11191	2.3
187.14787	5.5
189.09230	1.1
189.12688	2.2
189.16359	12.0
199.09613	4.1
199.11237	1.2
199.14816	17.2
202.13528	1.6
217.04996	4.1
217.08728	1.9
217.10634	33.8
217.12340	3.4
217.15858	100.0
217.19249	20.1
218.16153	3.7
218.21187	1.5
223.33351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75842	0.9
55.01865	4.1
55.05504	36.8
56.05020	3.9
56.96557	25.5
57.03434	5.5
58.25363	1.0
59.04989	2.6
60.04506	2.7
60.05633	2.3
60.95846	1.4
61.01152	1.2
61.02915	8.0
67.05489	4.3
68.05016	2.1
69.03415	6.7
70.06583	36.6
70.06973	2.0
70.10920	5.8
70.98087	1.0
71.04984	4.6
71.95280	1.2
72.04515	3.4
72.08152	5.4
72.93778	1.4
73.02910	3.5
74.02403	1.6
74.06068	15.1
76.51857	1.1
77.00914	1.2
81.07029	1.1
83.04972	55.9
83.08622	2.9
84.04503	4.6
84.08128	3.3
84.96013	2.4
85.02887	5.2
85.06535	6.0
86.06049	2.1
87.04462	8.0
88.07629	3.0
88.99187	1.4
89.02373	4.7
89.06027	10.8
91.05476	2.8
93.03387	2.1
95.01305	2.0
95.04987	1.3
96.04485	1.4
97.02869	2.0
98.01308	1.4
98.06017	1.2
98.21350	1.4
98.97572	13.3
99.04435	9.3
100.02468	1.1
100.03961	1.7
101.00887	2.0
101.06005	22.5
102.05533	1.1
103.02448	1.3
105.07015	2.3
106.01015	1.4
109.06477	1.1
110.97536	1.0
111.04430	79.1
111.08047	2.3
112.07609	3.7
112.08743	2.5
113.02367	3.4
113.06006	8.5
113.07143	2.8
114.05523	3.5
114.09162	1.9
115.02462	1.2
115.03976	1.3
115.08652	5.1
116.07075	39.5
116.98620	11.4
119.01897	16.6
119.08555	1.8
121.01686	1.4
121.03527	1.6
121.10104	1.4
126.09156	3.9
127.03908	5.7
127.07562	10.8
128.04199	0.9
128.07103	1.0
128.98596	1.6
129.05461	27.6
129.06999	2.7
130.04962	2.3
130.09813	1.4
131.00165	1.3
131.01891	2.9
131.08542	1.6
132.95792	1.2
133.03477	3.4
134.99608	6.6
136.04770	1.1
136.13026	0.9
137.02939	6.1
137.05988	2.5
142.96503	2.5
145.03491	7.2
145.04800	1.2
146.99634	3.2
147.05026	1.8
147.06470	1.1
147.11644	1.3
149.01178	1.7
150.01704	1.3
153.00652	1.6
154.08638	9.0
155.07011	100.0
157.03450	2.0
157.09770	4.6
158.01204	1.2
158.08124	15.3
158.09268	2.8
158.99704	2.2
159.05034	2.1
159.11684	3.7
160.97603	3.7
161.01187	2.0
161.02939	1.7
162.96767	1.2
163.04507	5.1
163.07516	1.0
165.00717	3.3
167.02222	1.1
171.01379	1.9
171.11656	3.0
172.02838	1.1
172.09700	2.8
173.02925	2.4
173.08087	62.3
174.99121	2.1
175.04491	1.8
175.12009	2.2
177.00746	1.6
177.02394	1.1
177.06197	1.1
187.04507	1.9
189.00739	1.8
189.02328	2.3
189.03868	1.4
189.06061	1.9
191.03944	1.2
193.00272	4.7
199.09637	4.3
200.05428	1.5
200.10316	3.5
203.04062	1.3
217.00058	2.2
217.05238	1.1
217.06857	45.2
217.10727	49.5
217.12926	21.0
217.15819	4.0
218.10303	1.8
220.99654	1.9
235.01176	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	215.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83198	0.6
53.03937	1.0
55.05507	4.6
55.66604	0.5
56.97472	0.5
57.07056	0.7
65.03946	0.7
66.80589	0.5
67.05502	10.8
69.07068	2.8
71.22191	0.5
72.87988	0.5
74.09681	0.5
78.87062	0.5
79.05487	14.1
81.07053	16.1
83.04935	0.5
83.08600	2.6
83.12891	0.5
91.05473	26.5
93.07034	13.7
95.04948	1.0
95.08601	18.2
95.09209	0.9
97.10130	0.6
98.98449	0.7
103.05428	0.6
103.41130	0.5
105.07018	17.9
107.08588	7.3
109.10140	1.7
113.90185	0.6
115.05401	0.6
117.07013	9.1
119.08575	18.0
121.10137	23.9
122.10519	0.7
126.55092	0.5
129.06972	1.7
130.07701	0.7
131.08557	23.0
132.08855	0.5
133.10120	49.1
134.10477	1.5
135.11662	6.3
143.08575	0.8
144.09312	0.6
145.10114	26.8
147.11679	9.5
149.13223	1.0
150.96867	1.0
157.10126	1.8
159.08046	0.7
159.11687	22.4
161.13194	0.9
168.85262	0.5
169.10159	0.7
171.11659	1.5
173.09711	0.7
173.13261	17.6
174.13705	0.7
186.13902	0.8
187.14824	10.3
213.16357	1.9
215.07071	1.2
215.17937	100.0
216.18256	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	215.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58915	0.5
53.03935	1.7
55.05508	4.5
57.07063	1.1
67.05504	13.6
69.07059	3.2
70.06536	0.5
70.53251	1.0
70.53645	1.5
74.09690	1.8
79.05487	13.9
79.68974	0.5
81.07049	20.2
83.05682	0.6
83.08623	3.3
86.26698	0.5
91.05476	26.7
92.05799	0.7
93.07040	14.5
95.04948	1.3
95.08600	20.7
95.41055	0.5
97.10178	1.3
98.98467	1.2
102.26334	0.5
103.05474	1.1
105.07021	19.2
107.08585	7.5
109.10138	2.2
115.05473	0.7
117.07004	8.4
119.07744	1.2
119.08573	19.3
119.09422	1.2
121.10133	23.3
123.97949	0.6
129.06946	1.2
130.07745	1.3
131.08560	22.7
132.95772	0.6
133.10120	51.0
134.10442	1.1
135.04459	0.6
135.11694	6.4
139.01576	0.9
141.06981	0.8
143.08560	0.9
144.09340	0.8
145.10114	26.5
147.11674	9.7
149.13210	0.7
150.96875	1.6
157.10094	1.4
159.08115	0.8
159.11690	22.3
160.11980	0.7
161.13272	1.0
169.10144	0.7
171.11664	2.2
173.09621	0.8
173.13251	17.9
174.13962	0.8
182.10783	0.6
185.13271	0.8
186.14075	1.1
187.11134	0.7
187.14804	10.5
197.05977	0.7
198.11105	0.6
212.42686	0.6
213.16406	1.4
215.07048	1.8
215.14433	2.4
215.17940	100.0
216.12367	0.8
216.18272	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	215.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13488	2.1
55.85919	2.2
56.96551	8.4
57.03423	7.7
58.06591	4.6
59.24094	2.0
64.85362	2.3
69.03429	6.5
70.06590	5.2
70.93729	3.4
70.94077	4.4
72.08151	100.0
73.02937	2.6
84.04448	2.3
84.08126	7.3
85.02895	4.0
86.06009	2.5
91.05528	2.4
97.02871	4.7
97.31327	2.5
98.97587	5.5
113.02403	3.3
119.01890	10.5
131.01888	3.8
131.08595	2.7
132.95866	4.7
150.96899	6.5
169.09949	3.3
169.13354	29.7
187.11113	2.7
191.50621	2.5
197.06166	2.8
215.01646	42.3
215.05211	8.6
215.07130	3.2
215.10577	4.5
215.13904	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.8
58.06592	7.8
66.80983	1.0
70.06570	3.7
70.55891	2.2
70.56252	2.6
71.23965	1.0
72.08145	25.0
84.08122	6.8
85.02930	1.3
93.03327	1.1
98.09706	1.7
98.97569	1.8
116.07064	2.4
116.10694	1.6
119.01863	2.3
124.07546	1.4
139.24628	1.1
147.96063	1.1
150.96846	1.5
169.03410	1.0
169.13350	50.7
170.08060	1.9
173.03050	1.3
180.06674	1.1
197.04274	1.7
203.93292	1.1
215.01863	5.6
215.05246	21.6
215.13887	100.0
226.37932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01856	1.3
55.05506	51.2
57.03415	3.3
57.07060	1.5
61.44696	1.3
63.18779	1.2
64.38062	1.4
67.05161	1.8
67.05502	31.2
69.03408	1.6
69.07064	40.6
70.05412	4.0
70.05820	2.2
71.04990	6.5
71.28385	1.2
73.06543	2.2
79.05491	13.3
80.52213	1.0
81.07050	80.0
83.04965	4.6
83.08120	2.2
83.08614	41.8
84.08114	1.9
85.06548	6.8
88.32479	1.3
91.05471	15.1
93.07042	18.3
95.08598	100.0
96.08919	1.8
97.06516	13.8
97.10168	12.8
99.08085	4.5
101.06016	2.9
105.07021	21.2
107.08572	8.2
109.06498	4.0
109.10136	5.8
111.08056	3.8
115.07550	2.7
119.08570	30.6
121.10120	8.8
123.08040	8.3
123.11621	1.1
127.07572	3.1
132.95796	1.8
133.10129	17.0
135.11664	15.4
137.09596	4.7
137.13260	20.7
141.09081	1.5
150.96883	2.3
151.14841	1.5
161.13246	49.3
178.15923	1.5
179.14305	9.9
179.53394	1.1
191.97083	1.4
196.16953	19.2
214.18002	60.9
215.18411	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	213.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01862	3.6
55.05505	12.4
56.96559	1.0
57.07062	3.0
67.05507	5.0
69.03415	1.3
69.07066	18.6
70.82928	3.4
71.04985	3.0
79.05488	8.4
81.07050	21.6
83.04971	1.3
83.08619	12.1
85.06529	4.4
89.97402	0.8
91.05480	3.2
93.07041	17.6
95.08605	44.1
96.08920	1.2
97.06546	1.4
97.10168	9.9
99.08085	41.0
105.07009	5.9
105.71896	0.9
107.04963	2.8
107.08585	43.0
109.06544	1.4
109.10168	10.2
111.08079	17.6
113.09642	2.9
119.08578	1.8
121.10134	66.0
123.11720	2.8
125.09632	6.4
127.93934	1.0
128.06233	1.7
129.06961	1.0
135.11670	13.9
137.13261	10.9
138.57530	1.0
139.11156	1.3
141.07021	1.0
142.07819	1.2
143.08551	2.4
149.13245	4.4
155.08617	1.6
157.10118	2.1
165.07040	2.0
167.07045	2.6
167.08560	1.3
171.08026	1.5
171.11671	1.1
177.16380	100.0
178.16728	1.1
180.09366	1.4
185.13228	2.3
195.10129	1.2
195.11687	3.8
195.17439	12.8
198.08556	0.9
213.12878	5.9
213.18523	11.2
216.85155	0.9
229.02512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03928	0.7
55.01865	3.4
55.05505	10.7
56.60953	0.5
57.03423	0.7
57.07078	2.9
67.05500	4.7
69.03417	1.4
69.06696	1.3
69.07063	21.6
70.67673	2.4
71.04984	5.1
71.08600	1.0
79.05489	6.9
81.07049	21.4
83.05001	0.8
83.08611	11.3
83.33504	0.6
85.02892	1.0
85.06538	5.4
88.07606	1.1
91.05465	3.7
92.23865	0.6
93.07036	16.2
95.04937	1.3
95.08598	41.4
97.06530	1.3
97.10157	8.1
99.08088	40.1
103.05388	0.7
105.03407	0.9
105.07015	4.2
105.64045	0.6
107.04956	3.2
107.08583	38.2
109.06467	1.0
109.10149	10.6
111.08076	17.3
113.09627	3.8
119.08541	1.5
121.10134	70.4
122.10395	0.9
123.08029	1.0
123.11679	1.9
125.09634	5.9
125.13272	1.0
128.06233	1.2
135.08035	1.3
135.11697	13.5
137.13232	9.5
139.11171	2.9
142.07727	1.2
143.08537	2.2
149.13220	5.1
151.14883	0.7
153.12779	0.7
155.08563	1.1
157.06442	0.7
157.10069	1.0
162.83823	0.7
163.07469	1.5
165.07025	1.4
167.07057	7.3
171.08037	1.3
177.16376	100.0
178.16696	1.3
180.09311	1.3
185.13257	1.0
195.10114	1.3
195.11717	2.1
195.15735	1.1
195.17450	14.3
213.05547	0.9
213.12711	2.8
213.18494	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	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03937	1.4
55.01864	1.4
55.05495	1.2
57.03409	0.4
58.65029	0.3
63.00045	1.8
63.27341	0.3
63.49975	0.3
65.03931	0.5
67.05489	1.1
69.03434	0.4
69.07068	0.7
69.91186	0.4
70.06561	0.6
71.04987	0.6
71.71182	0.6
77.03881	0.5
78.04706	2.7
79.05482	8.6
81.03395	0.7
81.07044	1.5
83.08620	0.4
88.07631	1.0
91.05464	6.3
92.06270	0.4
93.03400	0.5
93.07031	1.0
95.04951	4.0
95.08594	0.8
97.06521	0.7
98.97546	0.4
99.04446	0.6
103.05456	10.0
105.03387	0.5
105.07008	7.3
106.04166	1.5
107.04938	61.7
107.08569	1.0
108.05271	0.9
109.06516	0.8
110.03713	0.4
111.04411	0.6
111.08030	0.5
115.05437	3.4
116.98554	0.4
117.07025	1.8
119.04905	3.1
120.05744	2.4
121.06475	1.3
121.10104	0.6
122.03648	0.6
123.04411	6.5
124.05193	3.8
125.05990	1.6
125.09631	0.4
128.06184	1.2
129.06989	1.0
131.04909	2.2
133.06467	0.7
133.12392	0.3
134.03627	0.6
135.08038	15.4
136.08336	0.4
137.05931	1.7
139.03914	1.1
139.07489	0.5
141.06914	0.4
142.07742	1.2
143.08522	2.8
145.06476	0.8
145.07590	1.4
145.10139	0.4
147.04399	1.2
148.97337	0.8
149.05904	0.8
151.03830	1.9
152.04678	2.4
154.06250	2.7
155.08549	1.1
156.09326	0.6
157.06477	0.9
157.10115	2.1
163.07523	26.5
164.08011	0.4
165.05568	0.7
165.06998	1.6
166.07666	0.3
167.07018	100.0
168.07379	1.7
168.09392	0.4
169.10121	0.4
170.10905	0.7
171.08032	1.3
171.11661	0.6
177.00662	0.4
177.09100	0.4
180.07813	3.5
180.09320	1.4
185.05811	0.4
185.09673	0.6
185.13257	1.5
195.10147	13.6
195.11725	2.7
210.29962	0.3
213.05389	1.5
213.09085	1.0
213.11113	1.6
213.12888	3.5
213.16231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0909
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
53.03942	1.4
55.01859	1.1
55.05516	0.8
65.03933	1.2
68.14753	0.5
68.99790	4.6
69.07058	0.7
70.64971	1.3
71.01353	1.2
71.04996	0.5
77.03914	1.0
79.05486	6.1
81.03412	3.2
81.07034	0.8
83.04974	0.6
83.08613	1.1
85.02889	1.0
88.07610	1.4
91.05474	29.7
93.07012	0.9
95.04981	2.8
95.08607	0.5
103.05460	14.8
104.06264	3.3
105.03415	3.0
105.07023	2.4
107.04948	87.1
107.08591	1.0
108.05240	0.9
109.02864	6.0
111.04462	0.7
115.05408	1.9
117.07022	1.4
119.04974	0.8
121.02856	10.0
122.49091	0.6
128.06226	4.6
129.07002	5.6
131.04927	0.8
135.04410	100.0
136.04750	1.8
141.07014	3.5
142.07787	2.8
143.08553	4.2
145.06509	0.9
145.10149	0.8
148.97385	0.6
152.06206	15.0
153.06964	1.2
155.04843	0.8
155.08533	2.0
156.09332	0.8
157.06535	1.8
157.10136	4.1
165.05684	1.0
165.07001	12.7
166.07776	5.7
167.07159	0.9
167.08549	18.8
169.06502	1.2
169.10262	0.6
170.07283	0.8
170.10904	0.9
171.08035	1.7
171.11685	1.3
176.06175	3.1
177.06972	7.6
180.09270	1.0
181.06416	0.8
185.05943	0.8
185.09650	2.7
185.13243	2.2
194.07191	1.0
195.06458	1.0
195.08051	7.0
195.11682	2.2
197.06018	0.9
198.06726	2.2
212.08156	0.7
213.09094	90.4
213.12611	4.0
214.09447	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	213.0908
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
53.03934	1.1
55.01865	0.9
55.05496	2.0
56.96561	3.0
57.07071	0.7
59.06118	1.1
65.03931	2.8
67.05510	1.7
69.03424	1.6
69.07054	0.8
70.06583	1.7
71.04993	1.3
71.44063	1.1
72.93793	0.7
79.05492	2.4
81.07040	2.1
83.01266	0.6
83.04971	0.7
83.06105	0.8
88.07619	1.9
91.05470	98.2
92.05807	1.4
93.07031	2.5
95.04956	5.4
95.08585	1.4
97.06503	1.2
99.04429	0.9
99.05573	0.9
105.03399	1.3
105.07037	2.3
107.04945	13.3
107.05672	0.8
107.08595	1.4
109.06495	0.9
110.03673	1.0
111.04443	1.7
115.05427	0.9
117.06969	0.8
119.04931	100.0
120.05735	9.9
121.02855	2.7
121.06485	1.0
125.05982	2.8
125.07047	0.5
128.06206	2.7
129.07037	2.8
130.38220	0.6
130.96339	0.7
131.04950	0.9
131.08540	1.1
132.08093	0.8
135.04378	1.4
135.05490	0.5
137.05983	0.6
139.03886	1.5
141.06953	1.9
142.07771	2.0
143.08546	6.3
144.05627	0.9
145.06380	1.1
145.10101	0.7
148.97345	2.9
149.05957	1.0
149.09665	0.7
151.03899	3.5
152.05005	0.8
152.06178	4.9
153.05486	1.5
153.06944	0.6
155.08504	2.3
156.09319	1.5
157.06490	3.6
157.10117	5.9
159.11662	1.3
165.05620	1.0
165.06961	10.8
166.07703	2.3
167.07034	4.2
167.08559	9.9
169.06490	1.7
169.10097	1.9
170.07294	1.0
170.10860	1.0
171.08015	3.6
171.11658	1.5
176.06203	2.7
177.05540	1.0
177.06960	5.6
177.09175	0.7
180.09305	3.8
183.08012	1.4
183.11653	0.8
185.05916	1.2
185.09642	3.1
185.13217	5.5
188.92474	0.7
189.97723	0.8
194.07222	1.2
195.06474	1.1
195.08057	7.1
195.09976	1.3
195.11649	9.1
197.05963	0.8
198.06772	1.6
198.10448	1.5
207.98634	0.8
209.83049	0.8
213.05475	2.8
213.07521	0.7
213.09113	19.2
213.12717	10.9
213.16190	1.2
213.18301	0.6
234.09386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0755
Annotation	Gelsemide
Peak:m/z	Relative Intensity
53.03937	0.6
55.01869	0.8
55.05498	0.8
55.44136	0.3
58.66605	0.3
67.05499	0.6
68.99776	0.9
69.03416	1.7
70.83926	1.0
79.05484	3.4
81.07051	23.2
83.01337	5.8
83.04972	1.8
88.07658	0.3
91.05476	1.0
93.07018	2.3
97.02888	0.5
97.06521	0.6
97.56364	0.3
99.08104	1.4
107.04958	0.6
109.06513	7.1
111.04440	2.4
111.08069	0.5
121.06515	1.8
124.05233	0.4
125.02337	1.7
125.05981	4.4
127.07545	15.9
128.06247	0.4
129.07051	0.6
135.04390	0.8
139.03908	0.6
139.07552	0.7
142.07761	0.5
143.03368	0.4
143.08578	1.1
149.05962	5.9
151.03905	0.5
152.04677	4.5
153.05455	4.8
155.08536	0.7
157.04933	0.7
157.10132	1.0
165.07019	1.0
167.03380	0.5
167.07030	2.6
169.10066	0.4
171.08081	0.8
177.05460	6.2
185.13242	1.0
195.06512	100.0
196.06882	2.4
213.07555	42.0
213.12808	2.2
213.16200	0.5
214.07956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0756
Annotation	Gelsemide
Peak:m/z	Relative Intensity
50.79189	0.2
53.03962	0.5
55.05533	0.9
56.32030	0.2
57.07080	0.4
60.51295	0.2
61.22366	0.2
67.01888	0.4
67.05522	0.4
68.99811	0.6
71.04974	0.4
79.05482	3.1
81.07046	23.4
82.07404	0.3
83.01331	4.0
83.01763	0.3
83.04970	1.2
85.38165	0.2
88.07621	0.3
91.05520	0.8
93.07033	1.9
95.04983	0.6
95.08598	0.4
97.06551	0.8
99.08079	1.2
105.07046	0.6
107.04984	0.5
107.08601	0.5
109.06505	6.4
109.07208	0.3
111.04433	4.2
111.08004	0.3
118.15876	0.2
118.16709	0.2
121.06507	1.0
124.05173	0.4
125.05984	5.2
127.07542	15.4
128.06223	0.4
129.07010	0.5
135.04451	0.5
135.08049	0.3
135.11670	0.5
142.07764	0.6
143.08582	0.8
145.10081	0.4
149.05962	4.5
152.04649	4.4
153.05458	3.5
153.12709	0.3
157.04858	0.3
157.10127	0.8
163.11081	0.6
165.07011	0.4
167.07031	2.1
167.08466	0.4
169.04913	0.3
170.10852	0.2
171.08070	0.7
177.05438	4.5
177.64886	0.2
180.09303	0.8
181.12245	0.7
185.09647	0.3
185.13266	0.9
195.06509	100.0
196.06866	2.7
213.07542	32.5
213.12828	1.8
213.71780	0.3
214.07857	0.8
225.83960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05507	20.6
67.05479	2.0
69.03397	1.9
69.07053	1.7
75.86237	1.4
79.05486	1.7
79.33479	1.1
81.07033	1.7
83.04973	100.0
83.08630	1.6
84.05309	1.4
88.07610	3.5
91.05450	3.6
92.07413	1.3
93.07024	3.5
95.04980	1.6
95.08604	1.8
97.06502	1.8
105.07035	2.5
107.04936	3.6
111.03656	3.0
111.04433	61.8
114.47444	1.4
117.06973	2.2
119.08564	1.5
121.02895	1.3
121.10099	1.6
128.06200	3.2
129.05475	1.8
129.06947	7.4
131.08601	1.9
141.06964	4.7
142.07762	4.1
143.08580	8.5
145.10129	1.8
152.06194	4.1
153.05441	4.3
153.06673	1.5
155.08499	3.7
156.09283	2.1
157.06480	4.4
157.10094	8.7
159.07970	1.8
165.06969	8.2
167.07016	3.3
167.08553	8.2
169.10135	3.4
170.07198	2.0
170.29797	1.3
171.08038	4.8
171.11577	2.3
180.07964	1.4
180.09320	6.4
185.09622	9.4
185.13248	5.0
195.06409	2.5
195.08040	3.0
195.11732	8.1
213.05569	2.8
213.09225	10.0
213.12878	15.9
213.16357	4.1
213.24016	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23436	1.9
52.64309	1.5
55.01878	2.5
55.05286	1.9
55.05506	22.2
60.09125	1.5
69.07078	1.7
69.57550	8.7
69.57977	6.7
83.04979	100.0
91.05483	2.0
104.71618	2.0
105.07001	10.2
111.04443	60.0
119.05003	2.4
119.08586	9.8
121.10099	2.0
128.06253	2.7
129.07019	3.8
129.68724	1.7
142.07777	5.5
143.08571	8.8
153.05435	4.1
155.08513	3.0
156.09386	2.4
157.10146	10.6
159.11743	2.4
165.06993	4.5
167.08536	3.3
170.10925	2.1
171.08066	2.0
171.11642	7.9
176.76312	2.0
180.09236	2.0
185.09560	2.2
185.13293	4.8
195.11688	4.8
198.10373	2.1
213.09067	4.4
213.12740	6.9
213.16417	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.8
57.47349	1.9
58.19041	2.0
65.03919	2.3
69.98881	12.4
73.11637	1.8
83.04975	100.0
91.05432	2.6
111.04436	68.7
143.08554	2.8
153.05460	5.6
157.06578	2.1
180.97046	1.9
185.09703	2.4
195.06485	8.6
195.11711	4.1
213.09073	4.6
213.12794	4.8
213.62140	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	213.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01584	2.6
53.03928	3.0
55.01847	3.0
55.05508	27.1
56.04314	2.3
57.07085	2.7
65.84322	2.3
67.05499	2.4
69.03415	4.0
71.04981	3.5
71.70631	4.6
79.05475	5.9
81.07058	3.3
83.04972	100.0
83.08621	4.7
88.07635	6.0
88.48402	2.8
91.05463	10.5
93.07027	8.7
95.04991	3.5
97.06526	7.8
103.05450	2.5
105.07005	10.1
107.04939	7.4
107.08570	2.9
111.04435	62.6
115.05470	2.6
119.08565	2.8
121.06544	3.3
128.06197	13.2
129.06998	11.3
130.04366	4.2
131.04921	3.8
133.06346	2.8
141.06874	5.5
142.07809	15.3
143.08553	25.7
152.06215	7.9
153.05539	3.5
153.06969	3.5
155.08524	11.6
156.09302	6.9
157.06490	10.8
157.10101	24.4
159.11752	5.0
165.07047	16.1
166.07716	4.6
167.07028	9.6
167.08566	14.9
169.10143	6.0
170.07272	8.3
170.10895	6.4
171.08035	12.7
171.11728	5.2
180.09250	13.5
185.09644	17.7
185.13246	18.0
195.08041	8.4
195.10031	3.8
195.11662	27.1
198.06737	4.3
198.10330	7.0
213.05508	8.1
213.07423	3.2
213.09340	20.4
213.12997	40.1
213.16379	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	213.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30513	1.6
53.03930	1.9
55.01868	2.9
55.05510	23.2
56.96538	1.6
57.07072	2.1
57.51613	1.5
64.96214	1.6
67.05493	2.9
69.07063	4.2
71.31261	4.2
74.32034	1.6
79.05479	6.5
81.07047	3.6
83.04974	100.0
84.05344	1.9
88.07623	9.0
91.05470	4.0
93.07024	4.9
95.04973	2.3
95.08609	3.4
97.06568	1.8
103.05546	2.0
105.07034	5.7
107.04946	4.7
107.08597	2.6
111.03664	3.9
111.04436	73.1
115.05453	1.7
119.04877	1.7
119.08566	2.0
121.02850	3.0
121.10176	2.3
128.06223	6.5
129.07013	6.6
131.04915	2.8
131.08565	3.6
135.08032	2.4
139.07536	1.8
141.06979	4.2
142.07750	9.3
143.08533	12.9
152.06171	4.1
153.05472	5.5
155.08539	6.1
156.09340	4.3
157.06487	6.2
157.10141	13.2
159.08023	1.9
165.05739	1.9
165.06972	9.6
166.07697	2.0
167.07062	4.3
167.08527	7.8
170.07257	3.2
170.10941	3.7
171.06699	1.8
171.08041	7.5
171.11705	4.9
180.09300	7.9
183.07996	1.6
184.08945	2.1
185.05873	2.5
185.09615	8.0
185.13245	10.5
195.08078	3.4
195.11703	11.9
198.06746	3.2
198.10388	2.4
213.05421	4.0
213.09224	15.7
213.12863	22.1
213.16370	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	212.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.03466	0.5
55.01883	0.9
55.05502	1.2
56.05035	2.6
57.07068	2.8
59.04993	5.7
60.04516	0.8
63.15331	0.4
65.03941	1.4
67.05501	13.7
68.05024	26.1
69.03423	7.5
69.05800	1.5
69.07062	9.5
70.06575	2.4
70.95453	1.4
71.04985	15.1
73.06551	1.2
79.05493	0.6
80.05000	1.2
81.07047	1.5
82.06576	17.7
83.03706	1.5
83.04977	0.7
84.04504	11.4
84.08126	3.3
85.06528	2.5
86.06061	86.8
86.09698	29.5
87.06387	0.8
87.08113	0.5
92.05010	0.8
94.06557	2.7
95.04966	11.5
95.08577	2.2
96.04485	62.0
96.08141	0.5
97.06529	0.6
98.06054	9.8
98.06770	0.5
98.06914	0.4
99.04475	3.5
99.08083	3.7
100.07610	0.5
101.06015	17.5
107.08607	2.0
109.10155	1.3
110.06037	12.2
110.06731	0.8
110.09657	0.8
114.05547	0.7
119.06058	4.5
122.09615	0.6
124.11222	31.7
127.07543	8.1
128.07068	89.1
134.09665	4.1
135.08043	1.0
135.69511	0.5
136.07545	0.6
137.99120	0.4
152.10692	97.5
153.10942	1.0
154.12267	4.4
156.06544	28.0
159.79294	0.5
167.10670	0.6
184.13319	100.0
185.13606	1.8
195.09204	1.4
212.12761	8.1
213.75394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.16808	0.8
53.03920	1.4
54.61790	1.0
55.01854	1.6
55.05249	0.9
55.05505	14.5
56.56520	0.9
56.96554	2.0
57.03427	2.0
57.04535	0.8
57.07065	4.8
59.04988	3.1
63.06243	1.0
65.03928	1.0
65.87849	0.8
67.05145	1.7
67.05500	34.1
68.99807	1.1
69.03427	11.0
69.07060	17.0
70.98073	3.0
71.04988	4.9
71.08607	2.5
73.26417	0.9
79.05482	8.9
81.03411	4.4
81.07050	34.4
83.04977	15.7
83.08615	11.0
83.12608	0.9
85.06523	5.1
91.05470	8.7
93.07042	12.0
95.04952	8.3
95.08601	38.5
96.04499	1.1
96.36676	0.9
97.06506	3.0
97.10147	3.6
99.08083	4.2
99.72253	0.9
101.06030	1.3
105.07009	11.4
106.62650	0.8
107.04937	1.3
107.08575	27.6
109.06509	15.7
109.10146	100.0
110.10444	1.7
111.04486	1.1
111.08064	4.4
113.09631	2.4
117.07005	1.1
119.08569	21.8
121.06508	2.2
121.10133	12.9
123.04422	5.1
123.08062	16.4
123.11690	11.1
125.02304	1.4
125.05969	2.9
125.09631	1.4
127.11096	1.4
129.07010	1.7
131.05052	0.9
131.08549	1.1
133.10120	18.6
135.11682	65.3
135.47939	1.0
136.11998	1.1
137.05963	3.1
137.09598	17.5
139.11159	3.0
141.05463	3.1
141.07002	2.0
142.07755	2.0
142.57191	1.0
143.07088	1.0
147.11627	3.4
149.05995	1.1
149.13248	7.5
151.03902	3.1
151.07509	2.0
151.11179	10.8
151.14803	11.2
152.10609	1.4
153.06953	2.6
153.12766	3.3
154.07729	0.9
155.07410	1.0
155.08530	4.3
157.10097	2.7
163.97685	1.5
165.05476	3.4
165.06969	2.5
165.12781	1.3
165.16441	1.7
166.07735	1.3
167.07088	9.8
167.08426	1.3
167.99048	0.9
168.05722	1.1
168.09344	6.3
169.10110	3.1
175.14815	19.5
179.07056	3.1
181.06432	1.8
181.08601	0.9
181.10069	3.2
183.06531	1.1
183.07994	1.7
183.11700	5.5
193.10156	3.2
193.12222	2.6
193.15851	16.2
196.08842	1.8
211.05756	4.5
211.07761	8.1
211.09462	2.0
211.11343	6.8
211.13173	1.7
211.14977	1.8
211.16888	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03929	0.7
55.05251	0.8
55.05508	13.1
57.03431	0.6
57.07081	4.1
59.04987	2.1
63.86262	0.5
65.03914	0.8
67.05503	29.7
69.03426	8.4
69.06697	0.9
69.07064	16.6
69.58839	5.1
71.04984	4.4
71.08608	1.2
75.71966	0.5
79.05486	5.3
80.52697	0.5
81.07050	27.8
83.04973	13.4
83.08610	10.4
85.06526	4.4
87.08118	0.7
91.05465	4.5
93.07035	12.1
95.04951	3.3
95.08600	40.7
96.08962	0.6
97.06519	1.9
97.10163	2.7
99.08093	4.3
105.07019	6.9
107.08588	26.8
109.06513	11.2
109.10148	100.0
109.78662	0.6
110.06871	0.6
110.10476	1.4
111.08064	3.1
111.11713	0.7
113.09638	2.3
119.06033	0.7
119.08572	24.3
121.10139	9.4
123.08064	15.7
123.11690	11.0
125.09609	1.7
127.11160	1.3
133.10123	20.0
135.11684	64.7
136.12045	1.5
137.09607	17.9
137.13193	0.8
138.10365	0.5
139.11197	2.8
145.10095	0.6
147.11674	1.9
149.13243	6.1
150.10350	0.6
151.11174	10.6
151.14804	13.0
153.12758	3.3
165.16409	2.2
167.07036	0.7
175.14818	21.1
179.07008	0.9
193.15868	18.1
193.17632	1.2
205.46648	0.6
211.16945	2.4
212.08273	1.0
220.07707	0.6
227.41896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.48888	0.8
53.18988	0.8
55.05510	13.4
57.03420	1.5
57.07066	4.3
59.04989	2.7
59.70081	0.8
61.19740	0.8
67.05148	1.6
67.05498	23.8
69.03428	10.0
69.07064	15.7
71.01725	0.9
71.02081	2.2
71.04984	3.4
71.08615	1.6
79.05481	4.8
81.07050	26.2
82.66750	0.8
83.04974	12.2
83.08617	9.4
85.06546	5.2
91.05472	3.6
93.07038	12.3
95.04943	1.9
95.08599	39.1
96.08915	0.9
97.06512	1.6
97.10169	2.7
99.08082	3.3
105.07018	6.8
107.08584	21.7
107.09263	1.7
109.06501	12.2
109.10149	100.0
110.10493	0.9
111.08063	4.6
113.09655	1.2
117.07008	1.1
119.08576	22.7
121.10124	11.4
123.04422	2.2
123.08063	14.3
123.11709	10.2
125.09614	1.4
133.10114	18.4
135.11684	60.7
137.09608	16.9
139.11115	2.0
147.11665	1.9
149.13228	5.9
151.07544	0.9
151.11180	10.6
151.14832	12.3
153.12785	1.8
165.16454	2.4
165.18149	0.8
175.14812	16.8
179.07016	3.8
193.15880	16.4
211.16937	2.0
219.38419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02368	1.0
53.03942	6.0
55.01872	5.9
55.05508	42.1
56.96559	2.8
57.03429	12.3
57.07069	4.1
59.04982	1.5
65.03949	1.8
67.05499	35.8
69.03428	16.9
69.07061	12.8
71.01369	1.0
71.04989	10.1
71.08589	1.1
71.70218	1.5
76.25533	1.0
78.04736	1.0
79.05485	36.6
79.23932	1.0
80.05062	1.0
81.03410	100.0
81.07050	43.6
83.04974	59.2
83.08616	35.6
85.02904	2.7
85.06532	5.7
91.05473	39.0
91.06040	2.1
93.07037	25.2
95.04957	34.6
95.08595	21.1
97.02895	3.8
97.06524	5.1
97.10153	10.3
98.22972	1.1
99.04437	1.7
99.08098	3.4
101.06021	1.2
103.05463	2.0
105.07024	27.7
107.04948	7.9
107.08598	16.0
109.06530	9.5
109.10152	12.4
111.04449	3.2
111.08062	14.0
113.05968	2.0
115.05457	2.4
117.07032	2.3
119.04917	2.6
119.08570	21.6
121.06501	5.5
121.10122	10.5
123.04433	8.9
123.08041	6.2
123.11723	3.5
125.02356	2.9
125.09670	2.9
127.07561	3.0
127.11166	1.6
128.06201	1.6
129.06998	15.6
131.08559	12.4
133.06485	5.2
133.10109	13.4
135.11702	4.3
137.05986	3.7
137.09608	4.4
139.03902	1.6
139.11131	1.7
141.06985	3.4
142.07811	5.1
143.08554	1.7
145.10086	1.1
147.08052	2.7
147.10490	1.4
147.11661	16.4
147.12769	1.6
149.05974	4.7
149.09595	9.9
151.03949	2.2
151.07536	4.4
151.11172	3.8
152.10699	1.6
153.07028	5.8
154.07710	1.4
155.03416	1.4
155.08525	9.5
157.10126	18.1
165.05600	2.0
165.06973	2.1
165.09135	1.6
165.12761	4.5
166.07770	2.5
167.07028	37.2
167.08490	3.0
167.10652	1.3
167.14297	1.6
168.09355	10.4
169.10155	3.8
175.11148	16.6
175.14841	1.6
178.07861	2.5
179.07033	11.2
181.06499	2.5
181.08563	3.5
181.10144	5.4
182.07347	1.5
183.06549	1.5
183.08084	2.9
183.11684	13.7
193.04933	1.2
193.08566	3.7
193.10204	7.8
193.12253	37.7
193.14038	1.9
193.15964	2.8
195.07948	1.2
196.08893	3.9
205.98883	1.9
208.51491	1.0
211.05861	2.0
211.07541	8.9
211.09602	3.9
211.11208	15.5
211.13300	14.8
211.14914	1.7
211.16939	3.1
227.39909	1.1
230.56946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.23407	2.4
53.03937	5.1
55.01854	6.4
55.05503	39.9
57.03418	7.9
57.07055	4.0
65.03905	3.2
67.03294	2.3
67.05495	38.3
69.03413	9.6
69.07056	16.3
71.04964	7.7
71.72559	4.4
76.31451	2.5
79.05489	34.9
81.03406	100.0
81.06613	3.8
81.07045	39.1
83.04467	3.0
83.04964	52.6
83.08604	31.5
85.02875	2.7
85.06531	4.0
87.04492	2.6
91.05463	37.4
93.07029	20.9
95.04948	36.2
95.08592	20.1
97.06501	5.4
97.10152	9.5
105.07018	24.6
107.04928	7.8
107.08578	9.0
109.06499	6.6
109.10136	6.4
111.08079	10.6
117.06945	2.9
119.08572	23.0
121.10140	6.8
123.04416	3.7
123.08064	5.1
129.06984	17.2
131.08527	12.9
133.06482	3.3
133.10127	15.5
135.11749	3.2
137.05933	2.9
137.09691	2.7
141.06953	2.5
142.07745	9.0
144.31750	2.5
147.08029	6.0
147.11646	17.1
149.09599	7.5
151.11185	3.1
152.10718	2.9
153.06934	5.3
155.08560	12.4
157.10112	19.7
165.06866	2.2
165.12724	4.1
168.09302	15.6
169.10046	2.6
175.11136	15.1
181.06462	3.6
181.10124	4.4
183.11615	16.4
193.10130	7.3
193.12224	37.8
194.25633	2.5
196.08911	2.7
205.98659	3.7
211.07559	6.0
211.11157	20.4
211.13246	12.2
211.14931	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	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.33033	0.6
53.03939	0.7
55.01857	2.1
55.05493	2.0
57.03415	1.2
62.21814	0.6
65.03941	1.2
67.05502	4.7
68.99773	1.0
69.03418	1.1
69.07044	0.9
69.62943	2.7
69.63364	2.1
71.04977	1.2
79.05493	5.1
79.66450	0.6
81.03406	1.3
81.07048	3.7
83.04955	1.3
85.02904	0.8
91.05477	9.3
93.07040	4.2
94.04153	0.6
95.04973	7.0
95.08604	2.8
97.06523	1.4
99.08098	0.7
103.05470	4.0
105.03354	0.7
105.04549	0.7
105.07027	10.5
107.04973	1.5
107.08595	1.9
108.05733	0.9
109.02866	1.2
109.06509	1.9
109.10139	1.6
110.03651	1.9
111.04449	1.0
115.05446	1.1
117.47740	0.6
118.04152	2.5
119.04931	6.6
119.08563	1.7
121.02852	1.4
121.06531	2.8
121.10135	1.0
123.04425	52.3
123.08049	4.5
123.11678	1.1
125.02335	0.6
129.06972	0.9
133.06476	5.4
133.10115	1.1
135.04445	0.9
135.08009	1.5
135.11668	1.7
136.05141	1.2
137.05971	2.9
137.09598	1.1
142.07690	0.6
147.04381	5.1
149.05954	3.7
150.06644	2.8
151.03935	4.9
151.07541	29.4
153.06995	1.4
155.08540	2.4
157.10144	0.8
161.05931	1.4
161.07129	1.2
163.97601	0.6
164.04701	0.9
165.05498	1.0
165.07018	1.0
165.09085	2.4
166.06226	0.7
167.07043	9.7
167.08414	1.1
168.09335	2.4
175.14868	1.0
178.07809	0.6
179.07027	100.0
180.07484	2.3
181.08589	2.1
181.10117	1.3
183.06638	0.7
183.11668	3.5
193.05022	1.2
193.08575	5.7
193.10078	1.2
193.12268	0.8
193.15878	0.6
196.08907	1.3
206.89685	0.6
211.07536	2.2
211.09631	9.9
211.11279	3.4
211.16942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01862	1.4
55.05503	5.7
56.05821	1.5
57.03422	0.9
57.07054	0.6
63.97753	0.4
65.03913	1.0
67.05490	6.2
68.99778	1.0
69.03412	0.9
69.07048	1.8
70.61087	1.2
71.04984	1.1
78.04672	0.5
79.05489	5.1
81.03440	0.7
81.07049	3.3
83.04958	2.0
83.08591	1.9
84.08930	0.7
85.06524	0.8
91.04921	0.9
91.05466	8.7
93.07030	3.8
95.04964	8.1
95.08607	5.8
96.04483	0.6
97.06545	0.9
99.08077	2.7
100.07585	0.9
100.11259	0.8
101.07990	0.6
101.11598	0.7
103.05462	3.4
105.04487	0.6
105.07015	9.1
107.04921	1.5
107.08569	2.5
108.05716	1.2
109.02865	0.8
109.06493	2.1
109.10137	5.1
110.03632	1.9
111.04412	1.8
111.08060	1.5
112.04717	0.8
115.05463	0.8
118.04182	2.4
119.04941	6.0
119.08593	2.4
119.68735	0.5
121.02827	1.5
121.06478	2.5
121.10118	1.5
122.07278	0.5
123.04416	48.4
123.08044	5.5
123.11666	2.1
125.09628	0.9
127.09482	0.6
128.07057	1.1
133.06454	4.6
133.10100	2.9
135.04408	1.3
135.07993	0.8
135.11697	3.4
137.05954	3.9
137.09601	3.8
147.04405	5.4
147.11697	0.5
149.05957	3.6
149.13231	0.7
150.06734	2.9
151.03879	3.3
151.07523	27.7
151.14813	0.8
152.04567	0.5
152.10722	0.7
153.06911	0.8
154.97124	0.5
155.08501	1.3
155.10667	1.1
157.10127	0.8
161.05936	1.2
161.07097	2.0
164.04753	0.6
165.05426	1.0
165.09079	2.7
166.06212	0.4
167.07021	9.6
167.08368	0.9
168.09329	1.1
169.10123	0.6
172.36179	0.5
175.14859	2.7
179.07011	100.0
180.07515	2.4
181.08572	1.4
181.10011	0.7
182.15379	0.6
183.11664	1.5
183.15704	5.7
193.08612	7.1
193.10149	0.8
193.15884	1.5
211.02492	1.0
211.07637	0.8
211.09563	11.5
211.11197	1.2
211.15085	1.7
211.16951	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.00299	1.7
53.03942	3.9
55.01868	24.3
55.05509	16.5
56.96558	5.1
57.03434	2.8
57.07060	2.4
59.04987	1.6
65.03937	6.7
67.05502	39.7
67.19747	1.1
68.99807	2.1
69.03425	26.1
69.07063	5.1
70.29910	1.3
71.01360	7.8
71.04971	6.2
71.08633	1.3
71.30921	2.9
77.03938	1.5
78.04712	1.6
79.05485	13.8
81.03416	14.6
81.07052	21.7
83.01328	8.6
83.04964	6.6
83.08602	5.3
85.02908	1.4
85.17626	1.3
91.05479	21.9
93.03410	4.4
93.07043	16.6
95.04963	59.0
95.08601	17.5
97.02883	4.0
97.06520	4.8
97.10137	1.2
99.04460	1.9
99.08078	1.1
101.02387	2.9
103.05467	4.4
105.03382	3.6
105.04519	1.6
105.07018	10.7
107.04935	4.6
107.08603	6.8
109.02888	4.6
109.06519	6.9
109.10136	6.5
111.04420	3.2
111.08104	1.6
113.02364	5.5
113.05988	1.3
115.05496	2.2
117.01854	3.6
117.07008	3.8
119.04919	1.6
119.08577	16.6
121.06499	12.7
121.10155	3.8
123.04428	62.1
123.08070	9.3
123.11715	6.2
125.02333	15.1
125.05933	1.6
125.09637	1.3
127.03909	3.0
128.06216	2.1
129.06992	9.5
131.08589	1.7
133.02847	5.9
133.06512	2.7
133.10124	5.4
135.08060	2.2
135.11716	5.2
137.02464	1.3
137.05956	6.2
137.09601	4.9
139.03886	10.3
141.06999	3.4
142.07787	3.5
143.03391	7.5
143.95335	1.4
147.08052	9.7
147.11618	2.2
149.05983	9.1
151.03896	100.0
151.07574	4.5
152.06277	1.8
153.06967	7.2
154.07693	1.8
155.03369	4.5
155.08540	11.9
155.10675	1.8
157.10158	4.5
161.05959	1.7
163.97722	1.9
164.04700	1.6
165.05453	3.5
165.07025	5.0
165.09152	6.6
166.06323	2.5
166.07690	2.2
166.15884	1.7
167.07042	41.5
167.08521	3.9
168.05759	1.4
168.09341	9.9
169.04970	44.6
169.06273	1.7
169.10107	3.9
175.07535	2.0
175.11287	1.9
175.14815	4.0
179.07030	6.2
181.06477	3.0
181.08562	5.7
181.10161	6.3
183.08017	4.7
183.11696	11.8
193.04915	2.2
193.08606	31.8
193.10197	7.7
193.12115	2.2
193.15826	2.3
196.08855	2.6
196.12468	1.4
211.06137	2.1
211.07545	20.7
211.09662	84.0
211.11243	13.6
211.13075	2.3
211.14902	2.9
211.16916	5.0
212.16504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0752
Annotation	9,10-Dihydroxyanthracene
Peak:m/z	Relative Intensity
51.02361	0.2
53.03938	0.4
55.01648	0.2
55.01868	3.2
55.05496	0.9
56.96222	0.2
56.96534	0.3
57.03420	0.7
67.05490	1.5
68.99776	1.8
69.03418	0.6
69.07045	0.7
71.03455	0.5
71.03791	0.5
71.04996	0.4
79.05490	1.3
81.03407	1.0
81.07036	2.5
83.01332	0.3
83.04967	1.0
83.08614	0.6
85.02889	0.6
85.06535	0.4
91.05468	1.6
93.07030	0.9
95.04954	1.3
95.08607	1.2
97.06520	0.4
98.03245	0.2
103.05441	0.2
105.07024	1.7
107.08588	0.5
109.06519	0.4
109.10141	0.7
111.04459	0.3
111.08067	0.3
111.35700	0.2
115.05408	0.8
119.04924	0.4
119.08552	0.9
121.06503	0.3
121.10121	0.9
123.04441	1.6
123.08067	0.8
123.11702	0.6
125.02374	0.4
125.09609	0.3
128.06168	0.6
129.07001	1.0
131.08492	0.4
133.06432	0.3
133.10109	0.6
137.05959	0.3
137.09608	0.3
141.06978	20.9
142.07619	0.3
143.08540	0.8
145.06441	0.4
147.11678	1.6
151.07541	0.8
152.06224	0.7
153.06990	4.5
154.07707	0.9
155.04915	0.8
155.06050	0.4
155.08545	10.3
157.10086	0.9
164.06288	0.3
165.06985	53.5
166.07378	1.7
167.07011	2.0
167.08540	2.3
168.05690	0.8
168.09314	2.4
169.06430	0.5
169.10164	0.6
169.12181	0.3
173.41307	0.3
175.11172	0.4
178.07806	0.8
179.06996	2.0
181.06471	1.3
181.10130	0.9
182.07185	0.7
183.08044	21.1
183.11598	3.4
184.08435	0.8
193.06470	19.4
193.10063	1.3
193.15974	0.3
194.07048	1.0
195.08054	0.3
196.08852	2.4
197.05957	0.4
205.98967	0.4
210.06766	0.7
211.07526	100.0
211.11072	5.2
212.07861	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.3
55.01871	4.2
55.05499	1.6
56.96564	1.2
57.07066	4.4
59.04993	1.0
65.03933	1.2
67.05508	4.3
69.03417	1.9
69.07055	2.5
69.86618	4.0
71.04967	2.6
75.04480	0.9
78.04718	0.8
79.05483	5.2
81.07044	6.0
83.04959	2.2
83.08598	1.1
85.02895	1.8
89.03924	0.9
91.05465	8.0
93.03394	1.5
93.07036	6.9
95.04961	6.5
95.08601	4.6
97.02903	1.4
97.06524	2.6
99.08135	0.8
103.05447	2.8
105.03386	0.7
105.07017	5.1
106.04160	5.8
107.04956	1.6
107.08577	6.9
109.06510	100.0
109.10144	6.6
110.06824	1.0
111.04430	0.9
111.08073	1.6
113.09604	0.5
117.03412	0.8
117.06998	0.9
119.04845	0.9
119.08574	1.8
121.06499	9.5
121.10161	3.7
123.08060	10.5
123.11694	0.8
125.05981	1.8
125.09644	1.0
131.04973	1.2
131.08569	3.6
133.06566	0.6
133.10121	3.1
134.03658	1.0
135.08038	19.2
135.11676	1.1
137.05974	1.5
139.07518	4.2
141.06998	0.6
145.02823	1.5
145.10121	1.5
147.04417	1.2
147.08075	0.9
147.11708	1.3
148.05208	1.1
149.05960	8.7
149.09576	4.2
149.13248	3.2
150.10403	1.7
151.07562	0.6
151.11174	2.9
152.06207	3.8
153.05618	1.0
153.06985	7.3
153.09070	6.5
158.10921	1.3
161.09644	1.4
163.07571	1.5
163.11174	1.3
163.14819	1.3
165.06998	0.7
165.12787	1.4
166.06276	0.6
166.07701	0.8
167.07083	2.0
173.13231	4.6
177.05437	6.1
181.06453	3.7
181.08546	2.4
181.10107	1.6
191.03325	1.1
191.07047	1.6
191.10658	0.8
191.14293	21.7
192.90683	0.5
194.77209	0.5
209.04366	1.7
209.05991	9.3
209.08038	3.7
209.09868	4.0
209.11674	1.1
209.15332	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03926	3.9
55.01873	10.8
55.05508	75.0
55.42378	1.3
57.03437	3.5
57.07064	4.9
59.04996	7.1
65.03939	2.3
67.05499	14.0
69.03425	10.8
69.07058	13.1
70.06579	1.5
71.04974	6.1
72.93791	2.0
79.05476	10.8
81.03391	1.8
81.07052	21.9
83.04976	100.0
83.08616	39.3
84.05303	1.9
84.22165	1.5
85.06528	4.9
86.09698	1.9
88.16386	1.6
89.06055	2.4
91.05467	10.6
93.07036	26.7
95.04964	36.1
95.08593	15.7
97.06524	10.4
97.10172	8.6
98.20682	4.6
99.04463	7.1
99.08062	2.6
103.05473	3.8
105.07012	10.5
107.04951	5.0
107.08591	36.2
108.08923	1.4
109.06512	32.9
109.07635	1.7
109.10141	27.2
110.07166	2.6
111.04413	2.3
111.08087	12.5
112.08906	1.5
113.09628	3.7
117.06995	3.1
119.05028	1.8
119.08560	5.7
121.06500	6.5
121.10135	44.8
123.08060	3.7
123.11715	14.7
125.05929	2.0
125.09632	18.5
131.04893	3.4
131.08545	4.1
133.10129	12.5
135.04404	2.1
135.08031	7.6
135.11673	5.2
137.06007	1.5
137.09557	2.3
139.07536	1.9
139.11154	1.7
145.10110	3.9
148.05141	1.7
149.05943	5.8
149.09616	5.1
149.13254	12.8
150.10278	1.6
151.11172	33.9
153.05437	1.9
153.06703	1.3
153.09081	12.7
163.03886	2.5
163.07547	4.3
163.11186	3.3
163.14778	8.5
165.12743	1.7
166.07692	1.5
167.07039	3.1
167.14304	65.3
173.13252	6.2
177.05463	7.6
181.10130	1.9
191.07018	4.4
191.14328	13.0
194.02141	1.5
201.68140	1.6
209.04486	7.1
209.06190	1.7
209.08060	4.8
209.09853	2.2
209.11827	2.3
209.15366	48.6
213.19727	1.5
227.34369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03978	1.9
54.23197	2.0
55.01877	2.5
55.05506	27.3
57.03444	2.2
57.07059	2.9
57.59773	1.9
59.01228	1.8
59.04992	2.5
60.00749	1.7
67.05508	10.2
67.27094	2.2
69.03422	24.3
69.07072	13.6
69.30928	2.0
69.82822	14.2
71.04984	5.2
77.63193	1.9
79.04509	2.2
79.05486	7.7
81.07051	12.3
81.39511	2.0
83.04974	19.9
83.08618	10.3
85.06540	10.7
91.05482	7.1
93.07033	17.4
95.04964	6.2
95.08604	16.3
97.06532	4.5
97.10174	14.8
98.20788	4.1
99.08080	13.0
105.07043	7.1
107.04990	2.2
107.08583	34.6
109.06510	11.9
109.10125	12.1
111.04396	2.2
111.08067	9.1
113.06016	9.0
119.08574	6.0
121.06521	4.3
121.10133	28.3
121.27698	2.0
123.08061	4.3
123.11699	5.1
125.05986	8.3
125.09621	100.0
127.07532	2.2
131.08539	5.0
133.10150	8.5
135.08066	9.0
135.11748	3.5
137.09586	3.1
139.07520	5.7
147.11723	3.5
149.09610	69.3
149.13243	13.3
151.11174	38.1
153.09062	21.2
154.09845	3.5
158.10915	2.6
163.14864	13.2
173.13260	10.5
187.74736	2.3
191.14307	26.4
202.22624	2.2
209.15364	55.6
221.20615	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.01609	0.3
51.02381	0.3
53.03934	1.6
55.01863	2.0
59.08258	0.2
67.05489	0.3
68.04930	0.2
71.69962	0.3
77.03919	0.3
78.04743	0.2
79.05498	0.5
81.03418	0.4
81.07042	0.8
83.08613	0.2
85.84621	0.2
91.05472	7.7
93.07040	6.3
95.04966	4.2
95.08596	0.6
103.05465	7.0
103.06013	0.1
105.04517	0.9
105.07033	0.7
107.04952	2.2
107.08594	0.6
109.06513	0.4
109.10132	0.3
121.06499	76.9
121.22613	0.2
122.06829	1.0
122.47751	0.2
131.04916	5.1
134.03670	0.3
135.04410	0.3
149.05972	100.0
150.06329	1.5
159.04384	0.9
167.07080	0.5
172.78281	0.2
177.05466	22.9
178.05788	0.4
178.90170	0.2
191.07030	0.4
191.14410	0.3
195.06480	0.3
209.08003	0.7
209.13538	0.3
209.15347	1.7
218.07951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02375	1.9
53.03937	8.9
53.63026	1.3
54.38040	1.3
55.01871	46.1
55.05508	3.7
56.79145	1.4
57.03423	3.2
65.03939	13.5
67.05492	5.4
68.99787	1.8
69.03430	1.8
69.07055	3.1
70.97671	3.0
70.98042	3.2
71.04962	2.0
75.04475	12.5
77.03899	2.0
78.04713	12.6
79.05490	12.2
81.03407	3.8
81.07037	5.3
82.04185	2.0
83.04959	2.7
83.08631	1.7
85.02902	7.1
89.03912	11.6
89.06041	2.8
91.05476	60.4
91.06051	3.2
92.06265	1.5
93.02863	1.8
93.03410	26.2
93.07048	23.0
95.04965	22.0
95.08577	3.9
97.06526	11.0
102.29934	1.2
103.04774	1.6
103.05463	32.9
105.03364	4.6
105.04521	3.9
105.07015	6.7
106.04166	74.3
107.04974	10.3
107.08583	5.7
109.06512	8.0
110.03667	1.5
111.04427	5.3
117.03373	12.5
117.07014	1.6
118.04177	4.3
119.04950	10.7
120.05687	4.5
121.02815	2.5
121.06501	86.3
121.10113	3.7
123.04421	3.1
123.08047	3.5
124.05216	3.1
125.05974	20.9
125.09603	1.8
130.04150	2.1
131.04929	16.0
131.08528	1.4
133.02780	3.4
133.06566	1.8
133.10136	2.0
134.03635	15.7
135.04391	8.1
135.08023	4.1
135.11681	2.5
137.05952	9.5
137.09615	1.6
138.02998	2.3
138.06734	3.3
139.07509	6.1
145.02837	15.8
145.10141	2.4
147.04396	6.3
147.11617	2.0
148.05203	12.6
149.02368	2.1
149.05975	100.0
149.09612	6.0
149.13239	2.2
151.03929	2.5
151.07507	2.5
153.05461	12.0
153.09087	12.3
159.04398	3.4
162.03072	2.0
163.03905	5.3
163.07536	11.4
163.11157	6.2
165.05484	3.1
166.06194	4.5
167.07018	3.7
173.13292	2.0
176.04704	5.0
177.05470	63.5
180.07724	1.9
181.04971	3.5
181.08589	22.0
191.06996	22.0
191.14272	3.5
193.05058	2.8
194.05827	3.2
194.10849	1.5
209.04460	4.1
209.08070	39.3
209.11456	3.0
209.15359	10.3
223.49275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0443
Annotation	6,8-Dihydroxy-7-methoxycoumarin
Peak:m/z	Relative Intensity
53.03932	1.4
55.01873	4.5
55.05512	2.9
56.96541	0.6
57.03419	1.6
57.07043	1.0
59.04976	0.7
60.06454	0.6
65.03913	1.7
67.05479	2.4
68.99780	2.9
69.03407	2.4
69.07057	2.8
70.06574	0.7
70.55058	0.5
71.05000	1.2
71.15430	1.3
71.15767	0.5
79.01815	0.5
79.05486	5.9
79.24715	0.6
81.03395	0.9
81.07050	4.3
83.01338	3.1
83.04965	3.6
83.08604	1.6
85.02870	1.2
85.06538	0.9
91.05476	7.1
93.03399	1.5
93.07035	6.2
95.04977	4.7
95.08597	3.6
97.02886	1.1
97.06524	3.0
99.04448	1.0
99.08074	2.0
101.05980	0.7
103.05473	3.5
105.07008	2.2
106.04166	3.9
107.04955	6.1
107.08574	7.3
109.02857	1.1
109.06500	4.9
109.10137	2.8
111.04409	2.2
111.08052	1.6
117.03375	1.5
117.07017	1.6
119.04898	1.4
119.08556	1.8
121.02795	0.7
121.06497	6.5
121.10129	4.4
123.08052	2.2
123.11700	0.7
125.05967	2.5
125.09616	3.6
131.04939	2.0
131.08531	1.9
133.10126	2.8
134.03618	1.0
135.04391	3.5
135.08061	3.1
135.11649	2.3
137.05925	1.4
137.09558	1.0
139.03909	1.2
139.07533	3.2
139.11165	1.7
145.02827	1.7
145.10092	1.3
147.04395	1.4
148.05168	1.7
149.05954	6.8
149.09645	4.1
149.13211	3.3
151.11128	3.3
152.06181	1.0
153.05467	2.1
153.06995	0.7
153.09093	3.0
163.03918	5.9
163.07504	1.5
163.11192	1.0
163.14772	1.3
166.07698	1.0
167.03380	1.5
167.07054	1.5
167.10612	1.0
167.14328	0.7
173.13257	1.7
176.04688	0.6
177.05453	6.8
181.01372	0.8
181.04941	1.1
181.06448	0.6
181.08531	1.8
181.15819	0.9
183.93597	0.6
185.04395	1.3
191.03392	6.5
191.06976	2.7
191.10649	1.7
191.14279	5.5
194.05763	1.1
209.04439	100.0
209.08006	6.0
209.09767	2.2
209.15337	17.4
210.04768	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03948	1.1
53.79188	0.7
55.01881	0.9
55.05507	6.9
57.03440	0.7
57.07071	5.3
59.04991	1.6
59.65012	0.7
65.03933	2.4
67.05502	34.4
69.03428	4.2
69.07066	2.7
70.42770	0.7
71.04984	1.7
71.47285	1.7
79.05483	7.0
81.07050	6.7
81.31950	0.7
83.04985	3.6
85.02899	7.0
85.06525	7.7
90.14137	0.8
91.05466	9.3
91.39217	0.7
93.07037	15.5
95.04951	3.6
95.08597	100.0
96.08920	1.0
103.05448	1.1
105.07021	17.3
107.04931	1.0
107.07919	1.4
107.08582	15.0
109.06495	5.6
109.10133	5.1
110.09717	0.7
111.08078	1.1
113.06007	3.1
116.06259	1.8
117.07008	1.7
119.08569	28.7
120.09354	2.3
121.06516	3.7
121.10133	14.3
122.55240	0.7
123.08058	54.3
123.11681	8.3
129.07010	1.2
130.07721	0.8
131.08577	4.5
133.06444	1.8
133.10130	6.0
135.08040	1.5
135.11661	2.9
137.09634	3.1
137.13268	1.8
139.07553	1.1
143.08514	1.2
145.10117	2.5
146.10869	1.0
147.08028	5.8
147.11671	12.2
149.09616	25.7
150.10017	0.9
151.07533	2.6
151.14803	3.1
156.09367	2.2
159.08041	2.5
160.08797	1.3
161.09628	2.4
161.13246	16.0
163.11172	3.2
165.09085	0.9
165.12718	7.1
171.11685	3.2
174.10458	4.2
175.23187	0.8
179.14284	2.1
189.12726	16.9
207.11826	1.4
207.13777	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	207.1015
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
53.03928	2.7
55.01854	3.1
55.05511	6.1
57.07057	1.3
65.03915	3.8
67.05490	12.4
69.03416	7.7
69.07050	3.8
71.04977	1.9
71.70108	1.3
71.70502	1.2
72.65208	0.8
79.05090	1.2
79.05489	10.7
81.03402	2.2
81.07045	9.0
82.70897	1.2
83.04963	4.5
85.02889	5.8
85.06512	2.1
90.02775	1.1
91.05466	29.4
93.07040	8.3
94.06586	0.9
95.04963	7.3
95.08607	12.5
97.06528	2.0
99.04440	3.3
100.02169	1.7
101.02949	1.0
103.05421	5.1
105.03388	2.4
105.07018	29.3
107.04939	5.0
107.08585	8.6
108.60670	1.1
109.02838	1.2
109.06506	11.6
109.07667	0.9
109.10152	19.6
111.04429	2.0
111.08070	1.1
115.05443	2.7
116.06200	1.9
117.06982	6.1
117.89081	0.9
118.04156	3.8
119.04933	11.6
119.08566	26.6
120.08126	1.2
121.06503	8.4
121.10145	8.6
123.04430	2.7
123.08047	9.5
123.11676	3.4
128.06200	8.5
129.06990	9.9
130.07748	2.0
131.04906	9.8
131.08568	8.2
132.05635	1.2
133.02859	2.7
133.06487	6.0
133.09207	1.3
133.10129	16.0
135.04384	2.1
135.08020	2.0
135.11630	1.7
136.05177	2.4
137.05954	3.7
137.09601	31.6
141.06952	1.9
142.27130	1.0
143.08542	7.1
145.06444	4.0
145.10110	5.3
146.03583	3.6
146.07257	8.2
147.04369	9.0
147.08047	13.7
147.10603	1.4
147.11673	17.8
148.02463	3.5
148.05208	6.1
149.02342	3.4
149.06004	2.1
149.09583	6.9
151.03868	4.0
151.07503	7.3
156.09306	4.4
157.06471	1.8
159.08054	3.4
160.08861	2.1
161.02336	3.0
161.05966	100.0
161.09604	50.9
161.13229	10.7
162.06343	1.9
163.03914	6.3
163.07491	2.9
163.11150	4.2
164.04678	4.8
165.05447	1.0
165.09109	13.4
165.12708	5.0
171.08011	1.9
171.11678	3.0
173.01039	0.9
174.03101	1.0
174.06755	4.5
174.10364	4.2
175.03882	4.0
175.07469	1.5
179.03371	9.6
179.07062	5.0
179.08437	1.2
179.10693	1.8
183.97542	1.1
189.05432	2.2
189.07373	1.4
189.09084	26.8
189.12720	16.0
189.16429	1.6
192.04137	2.9
194.53696	1.1
207.02870	63.1
207.06477	19.5
207.08356	1.8
207.10182	13.0
207.13795	24.9
207.17398	2.8
208.03380	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
53.03932	1.4
54.21112	0.8
55.01856	2.5
55.05482	2.1
57.03411	1.5
57.07054	1.1
59.05017	1.1
59.62470	1.1
60.66833	1.0
64.39014	0.9
65.03933	9.1
67.05490	6.2
68.99765	1.0
69.03420	2.4
69.07038	2.8
70.03661	0.9
70.06568	1.7
71.04953	1.3
71.70119	1.4
75.02342	1.0
75.32371	0.9
77.03931	2.3
79.05486	6.4
81.07043	5.6
83.04961	2.3
85.02884	3.2
85.86033	0.9
89.03904	5.5
90.04688	1.6
91.05472	100.0
92.05799	2.2
93.03400	1.5
93.07026	4.2
95.04969	6.0
95.06171	0.9
95.08582	8.6
97.06432	1.1
103.05455	5.7
104.02570	1.6
105.03389	2.3
105.06452	1.0
105.07029	10.7
106.06557	1.6
107.04957	4.8
107.08577	4.6
108.05696	1.9
109.06477	4.6
109.10126	2.2
111.09206	1.0
115.05460	5.3
117.07004	2.6
118.04137	10.6
119.04932	91.8
119.08570	9.0
120.05247	1.5
121.02824	3.4
121.06470	2.8
121.10110	4.6
122.03600	1.2
123.04374	2.6
123.07319	1.0
123.08082	8.6
123.08988	1.6
123.11653	2.8
128.06183	1.5
129.03357	1.6
129.06953	2.1
131.04872	3.0
131.08546	1.5
132.02063	7.5
133.02820	1.5
133.06499	5.3
133.10107	7.0
134.03600	1.4
134.05998	2.4
135.04419	5.5
135.08093	1.2
136.05186	4.0
137.05959	2.1
137.09589	3.9
143.04907	2.3
143.08524	2.0
145.02826	2.5
145.06444	1.4
145.10124	1.3
146.03564	4.1
146.07231	1.0
147.04396	76.6
147.08049	5.6
147.11656	6.4
148.04764	2.8
148.07523	1.1
148.08638	1.5
149.02319	14.0
149.09579	10.7
150.02950	1.1
151.03864	1.0
151.07567	4.7
156.09305	2.9
157.03969	5.6
161.05968	13.0
161.07317	1.1
161.07921	1.5
161.09601	5.2
161.13219	3.4
162.03076	1.6
162.05463	3.4
162.09071	1.2
163.03961	2.8
163.07504	1.6
163.11171	2.1
164.04692	8.6
165.05437	1.1
165.09045	1.6
165.12697	1.9
171.04405	3.3
171.11681	1.2
174.03081	3.5
174.06721	1.2
175.03893	88.3
176.04393	1.4
177.01773	4.0
178.37178	1.0
179.06961	9.0
179.08295	1.1
179.10600	1.5
180.06555	4.9
189.05486	5.3
189.07248	1.8
189.09050	3.9
189.12752	5.1
189.16460	1.1
191.03398	2.7
192.04152	30.7
207.02875	3.1
207.06491	55.3
207.08049	2.7
207.10104	3.9
207.12161	2.4
207.13876	10.1
207.17412	4.5
208.05989	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	207.0286
Annotation	Pisonin D
Peak:m/z	Relative Intensity
50.70677	0.1
51.02369	0.3
53.03923	0.5
55.01858	0.4
55.05506	0.2
56.83805	0.1
57.07069	0.1
58.47137	0.1
58.79771	0.1
63.02361	0.2
65.03926	1.1
67.05499	0.8
68.99784	0.3
69.03398	0.4
69.07044	0.2
71.00493	0.3
71.00853	0.3
71.04982	0.1
77.03912	1.2
78.04736	0.2
79.05482	1.1
79.16561	0.1
81.03406	0.3
81.07036	0.6
83.04980	0.2
85.02888	0.5
89.03910	1.8
91.04932	0.2
91.05472	3.1
93.07029	0.6
95.04961	1.3
95.08595	1.0
103.05428	0.4
105.02679	0.2
105.03382	2.9
105.04445	0.2
105.07023	0.9
107.04938	0.9
107.08569	0.7
108.05739	0.2
109.02887	0.2
109.06490	0.4
109.10123	0.6
115.05388	0.3
117.03378	0.9
117.07015	0.2
118.04128	0.3
119.04936	2.5
119.08546	0.9
121.02834	0.4
121.06483	0.5
121.10108	0.3
123.03609	0.2
123.04424	1.6
123.08033	0.6
123.11653	0.3
127.03915	0.2
129.06966	0.3
131.04948	0.4
133.02837	4.6
133.06476	0.4
133.10074	0.7
135.04459	0.8
136.05190	0.4
137.05920	0.2
137.09583	0.6
143.01346	0.2
143.04877	0.2
143.08505	0.3
143.75937	0.1
145.02797	0.7
145.06473	0.2
145.10104	0.2
146.07343	0.2
147.04393	1.9
147.08035	0.5
147.11690	0.5
149.02342	0.8
149.09584	0.5
151.03889	6.3
151.07425	0.6
153.01811	0.5
159.04428	0.3
159.81586	0.1
161.02318	4.5
161.05997	1.4
161.09598	0.8
161.13205	0.3
162.03036	0.4
163.03886	8.8
163.11147	0.2
164.04674	1.0
165.01703	0.2
165.05472	0.3
165.09053	0.4
165.12717	0.1
171.11659	0.2
174.03098	0.3
174.06639	0.1
175.03871	1.5
175.07483	0.2
177.01781	0.2
177.05444	0.1
179.03377	15.0
180.03746	0.2
189.01796	1.1
189.05510	0.2
189.09062	0.5
189.12651	0.5
192.04176	1.0
205.01282	1.1
207.02867	100.0
207.13828	1.5
207.17346	0.4
208.03212	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0287
Annotation	Flaviolin
Peak:m/z	Relative Intensity
51.02391	0.5
53.03944	0.8
55.01867	0.5
65.03939	0.5
67.05497	1.2
68.99786	0.1
70.74080	0.2
70.74433	0.4
77.03923	3.8
79.05486	0.5
81.03437	0.1
81.07035	0.2
83.04971	0.1
83.52592	0.1
89.03921	1.5
91.05460	0.9
93.07046	0.3
95.04960	3.5
95.08606	0.2
105.03385	10.3
105.04523	0.4
105.07026	0.9
106.03740	0.2
107.04924	0.8
115.05466	0.2
115.96333	0.1
117.03377	0.7
119.04944	0.4
119.08607	0.3
120.02053	0.2
123.04425	6.4
123.08022	0.3
123.86907	0.1
124.04753	0.2
133.02843	15.5
133.06474	0.6
135.04410	1.0
137.02312	0.3
143.04938	0.2
145.03963	0.2
147.04390	0.5
147.11615	0.2
149.09596	0.2
151.03893	41.3
152.04222	0.5
156.12555	0.1
161.02344	1.2
161.05960	2.1
161.09625	0.3
164.04689	0.3
175.03873	0.3
179.03381	100.0
180.03714	1.6
189.05447	0.9
189.09117	0.2
207.02876	21.7
207.06505	1.7
207.13863	0.4
208.03232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0286
Annotation	Pisonin D
Peak:m/z	Relative Intensity
51.02359	0.2
53.03934	0.5
55.01866	0.3
65.03931	0.5
67.05504	0.8
70.58774	0.5
77.03919	0.9
78.91528	0.2
79.05481	1.1
81.03404	0.3
81.07031	0.3
89.03918	1.7
91.05463	1.0
93.07043	0.4
95.04960	1.3
95.08589	0.7
97.98476	0.2
100.81517	0.2
101.51543	0.2
103.05464	0.2
105.03379	2.1
105.07024	0.9
107.04958	0.9
107.08590	0.2
109.02921	0.2
109.06528	0.3
109.10157	0.2
115.05407	0.3
117.03375	0.9
119.04967	0.4
119.08572	0.7
121.06519	0.3
121.10101	0.3
123.04433	1.1
123.08051	0.5
123.11697	0.2
124.41102	0.2
128.06195	0.2
129.06952	0.3
131.04910	0.4
133.02838	3.7
133.06487	0.4
133.10100	0.3
134.03610	0.2
135.04398	0.7
137.09605	0.2
143.01257	0.2
145.02831	0.6
145.03978	0.2
145.10060	0.2
147.04370	0.4
147.08049	0.3
147.11681	0.5
148.05188	0.3
149.09607	0.4
151.03894	4.9
153.01813	0.4
161.01065	0.3
161.02335	4.3
161.04803	0.3
161.05992	3.7
161.09605	1.0
163.03900	8.8
165.01816	0.2
165.05490	0.2
165.08961	0.2
165.12711	0.3
179.03381	12.6
180.03632	0.2
183.74966	0.2
189.01828	1.2
189.05417	0.2
189.09126	0.6
189.12753	0.4
192.04077	0.2
205.01303	1.1
207.02872	100.0
207.13809	0.8
208.03200	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
54.03461	4.9
55.01861	6.1
55.05491	1.8
56.05032	5.6
56.96273	0.9
56.96559	20.6
57.03431	14.7
59.04973	3.0
60.04527	3.5
61.01143	38.2
61.02923	9.1
61.84658	0.6
62.03259	0.8
67.05497	0.9
68.05009	1.2
68.99762	1.0
69.03425	11.8
70.06600	1.0
70.07303	0.6
70.98092	1.1
71.01350	0.7
71.04967	2.3
71.70819	1.1
71.95240	1.0
72.04510	14.0
73.02909	12.2
74.06078	1.1
74.97580	1.3
75.04440	1.0
76.07627	1.2
81.03404	2.3
82.02935	28.2
82.03669	1.2
82.06577	0.7
83.00770	1.6
83.01299	0.8
83.04952	2.4
84.04495	5.7
84.08116	0.8
84.96013	1.5
85.02400	0.9
85.02901	13.9
86.06030	1.0
87.04450	2.8
89.00768	1.9
90.01544	1.7
92.01254	2.0
95.00746	1.1
95.01302	1.9
95.04979	0.7
96.01498	1.0
97.02878	8.6
98.01269	1.9
98.06007	1.0
98.97573	19.4
99.04442	2.9
100.03968	62.6
100.07610	0.9
101.00809	2.8
101.02364	2.8
101.05991	1.3
102.02359	0.8
102.52461	0.9
102.96931	0.8
103.00578	1.4
103.32957	0.6
104.01268	1.8
106.00993	0.8
106.02798	0.8
107.01791	1.5
109.02868	0.8
110.01261	4.2
110.97555	2.8
111.02060	0.8
111.02905	1.7
111.04432	1.0
112.02866	0.8
112.99040	1.0
113.01717	0.7
113.02387	4.7
114.03757	1.0
115.02425	1.1
115.03933	1.1
116.98618	10.0
117.02089	1.5
117.02872	0.9
118.00980	0.7
118.02824	0.8
118.62180	0.7
119.01811	14.4
120.01998	2.7
121.01618	2.6
121.97552	0.8
123.02876	1.6
124.07509	0.9
124.99115	0.7
127.03930	3.8
128.02319	16.6
128.03412	100.0
128.52461	0.9
128.98569	4.1
129.01857	1.9
129.03787	1.6
130.52568	1.2
131.00148	1.0
131.01880	3.9
131.96143	1.1
132.00768	0.7
133.01642	1.6
133.03459	1.3
134.03607	1.1
134.99615	4.6
135.03087	1.3
136.00989	0.8
137.02852	6.2
138.02492	1.1
139.02565	0.7
140.02261	1.4
140.98555	1.2
142.02213	0.8
142.03220	7.5
142.08644	1.8
143.00143	1.7
143.01752	3.3
143.03423	1.3
144.00801	0.7
145.01642	1.6
145.03404	2.8
146.04471	37.1
146.08119	2.2
146.99619	5.4
147.04961	1.0
148.02023	0.8
148.03859	0.9
149.01141	1.1
151.04192	0.7
153.01883	4.6
154.01973	0.8
155.00060	1.6
157.01546	1.0
157.03503	1.8
158.99628	3.5
159.03133	1.0
160.04259	14.0
160.07587	2.0
160.09703	0.9
160.13286	0.8
160.95999	0.8
161.01151	1.8
161.02950	4.2
162.02991	0.8
163.02654	1.0
165.00659	1.6
166.31023	0.6
170.08104	0.9
170.99631	1.4
171.01349	1.9
173.01204	2.8
173.02940	3.0
174.01767	3.0
175.03001	0.7
175.04524	2.3
177.00656	4.0
177.04253	1.0
182.99597	1.9
183.02202	1.2
185.02975	3.7
186.03130	0.9
187.02641	1.0
187.04405	1.2
188.03711	5.9
188.09200	2.1
188.98747	0.6
189.00674	3.8
189.02191	1.1
191.02229	1.5
191.03845	1.3
201.00677	7.4
201.02422	2.7
201.96556	0.9
203.02158	0.8
203.03961	1.5
204.04056	0.8
205.00232	0.7
206.04802	25.3
206.06682	1.5
206.10197	3.1
206.13858	1.1
207.01671	1.3
207.05013	0.7
219.01700	3.3
221.05066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
54.03456	4.2
55.01876	8.1
55.05497	3.3
56.05021	7.2
56.53743	1.6
56.96558	53.8
57.03432	25.2
57.07067	1.7
58.06594	3.1
59.04993	2.2
60.04504	4.7
61.00859	2.3
61.01146	35.7
61.02663	1.6
61.02921	17.1
65.03932	3.5
65.50574	1.2
65.94489	1.4
67.01849	2.1
67.05498	7.7
68.05020	2.1
68.99767	1.4
69.03424	45.9
70.03735	2.7
71.01335	2.5
71.04982	2.6
71.69990	2.2
71.95266	1.9
72.04511	13.4
73.02910	30.9
74.03245	1.5
74.97569	2.0
76.03976	1.5
77.00764	2.8
80.05005	5.5
81.03403	4.8
81.07027	1.5
82.02934	25.5
82.06587	3.1
83.00763	4.9
83.01263	2.3
83.04982	8.4
83.06891	3.1
84.04498	20.3
84.05291	1.5
84.96012	6.0
85.02894	42.8
86.03214	1.5
86.06018	1.6
87.04455	3.8
89.00794	3.0
90.01529	4.7
92.01276	3.8
93.03387	1.9
95.00764	2.1
95.01317	4.1
95.04958	7.5
96.01539	4.2
96.04457	2.4
96.08103	12.0
97.02887	17.7
98.01297	6.9
98.03272	1.7
98.97574	57.2
99.04443	3.9
100.03967	62.6
100.07572	1.8
101.00787	5.1
101.02390	4.0
104.01286	8.0
105.02023	1.4
106.06487	1.3
107.01813	5.6
109.02871	3.7
110.01263	13.7
110.06004	3.9
110.97531	7.4
111.02039	1.8
111.04422	5.2
113.01577	1.7
113.02357	33.6
114.05495	3.3
115.03939	2.3
116.01232	1.6
116.05295	1.9
116.98609	42.8
118.06519	3.9
119.01794	35.5
119.51964	2.5
120.02024	3.1
121.01610	3.1
121.02859	5.5
121.52032	4.5
122.03161	2.7
122.06004	5.4
124.00944	1.8
124.02788	1.4
124.06810	1.6
124.07578	9.0
125.01772	5.1
127.03922	7.7
127.54324	1.3
128.01364	3.2
128.02310	53.8
128.03415	100.0
128.07053	2.7
128.52498	3.1
128.98586	16.3
129.01947	3.2
130.52567	3.4
131.00124	2.2
131.01767	3.1
131.03387	2.2
132.06480	1.7
133.01567	2.6
134.02324	3.0
134.06033	2.6
134.99643	28.2
137.01778	2.9
137.02792	19.0
138.02518	3.3
139.03899	1.8
139.53087	6.2
140.00146	1.8
140.02240	2.2
140.07001	2.1
140.98593	1.7
141.02229	2.1
142.03201	6.2
142.04903	1.8
142.08646	8.0
142.10539	4.1
143.00145	4.7
143.01732	3.4
145.01619	3.1
145.04941	1.9
146.00377	1.8
146.02318	4.7
146.04474	43.8
146.05948	4.4
146.08109	1.8
146.99628	22.5
147.06293	2.0
148.53650	2.5
149.02321	4.1
150.02626	9.2
152.02255	3.3
152.52672	1.4
153.03070	3.2
155.02785	4.4
157.01456	3.2
157.03409	1.5
158.99634	11.1
160.04268	19.2
160.09673	8.4
160.97507	3.0
161.01167	7.6
161.02664	3.1
162.99152	1.6
163.02695	3.4
165.00693	4.9
166.03835	1.5
167.01050	1.8
167.02805	2.4
170.01326	3.1
170.08156	12.3
170.99637	9.0
171.08463	1.7
171.27515	1.6
173.01196	3.5
174.01793	3.1
174.03548	4.6
175.02597	3.6
177.00671	13.5
178.03156	2.1
178.04903	3.7
178.08594	3.9
179.02412	2.8
182.99617	2.3
184.03023	2.7
186.99156	3.3
187.02820	2.9
188.03513	9.0
188.09160	10.8
188.10823	2.5
189.00691	18.2
189.07304	3.3
191.14265	3.9
193.00159	2.2
195.01645	2.8
201.00650	8.6
202.98553	2.6
203.02229	5.0
205.00258	3.3
206.02719	2.0
206.04773	29.9
206.08189	7.2
206.10201	24.0
206.12035	2.6
207.01695	3.1
212.02361	2.7
219.01759	8.0
227.02104	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	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03947	1.6
55.05506	15.2
57.07055	6.4
67.05500	18.4
69.07059	27.0
69.44166	13.7
69.44566	2.4
79.05489	14.0
81.07053	55.9
83.08624	12.7
91.05465	8.3
93.06454	3.0
93.07040	61.2
94.52742	1.8
95.04967	1.9
95.08598	46.0
97.10162	10.1
105.07014	4.7
106.50792	1.5
107.08586	54.9
109.06540	1.9
109.10152	40.3
111.11727	5.4
119.08570	1.6
121.10139	100.0
123.11692	19.9
135.11682	30.2
137.13229	2.4
149.13242	57.9
163.14836	6.8
205.19498	33.1
209.83812	1.5
217.36060	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	206.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
54.03456	4.2
55.01876	8.1
55.05497	3.3
56.05021	7.2
56.53743	1.6
56.96558	53.8
57.03432	25.2
57.07067	1.7
58.06594	3.1
59.04993	2.2
60.04504	4.7
61.00859	2.3
61.01146	35.7
61.02663	1.6
61.02921	17.1
65.03932	3.5
65.50574	1.2
65.94489	1.4
67.01849	2.1
67.05498	7.7
68.05020	2.1
68.99767	1.4
69.03424	45.9
70.03735	2.7
71.01335	2.5
71.04982	2.6
71.69990	2.2
71.95266	1.9
72.04511	13.4
73.02910	30.9
74.03245	1.5
74.97569	2.0
76.03976	1.5
77.00764	2.8
80.05005	5.5
81.03403	4.8
81.07027	1.5
82.02934	25.5
82.06587	3.1
83.00763	4.9
83.01263	2.3
83.04982	8.4
83.06891	3.1
84.04498	20.3
84.05291	1.5
84.96012	6.0
85.02894	42.8
86.03214	1.5
86.06018	1.6
87.04455	3.8
89.00794	3.0
90.01529	4.7
92.01276	3.8
93.03387	1.9
95.00764	2.1
95.01317	4.1
95.04958	7.5
96.01539	4.2
96.04457	2.4
96.08103	12.0
97.02887	17.7
98.01297	6.9
98.03272	1.7
98.97574	57.2
99.04443	3.9
100.03967	62.6
100.07572	1.8
101.00787	5.1
101.02390	4.0
104.01286	8.0
105.02023	1.4
106.06487	1.3
107.01813	5.6
109.02871	3.7
110.01263	13.7
110.06004	3.9
110.97531	7.4
111.02039	1.8
111.04422	5.2
113.01577	1.7
113.02357	33.6
114.05495	3.3
115.03939	2.3
116.01232	1.6
116.05295	1.9
116.98609	42.8
118.06519	3.9
119.01794	35.5
119.51964	2.5
120.02024	3.1
121.01610	3.1
121.02859	5.5
121.52032	4.5
122.03161	2.7
122.06004	5.4
124.00944	1.8
124.02788	1.4
124.06810	1.6
124.07578	9.0
125.01772	5.1
127.03922	7.7
127.54324	1.3
128.01364	3.2
128.02310	53.8
128.03415	100.0
128.07053	2.7
128.52498	3.1
128.98586	16.3
129.01947	3.2
130.52567	3.4
131.00124	2.2
131.01767	3.1
131.03387	2.2
132.06480	1.7
133.01567	2.6
134.02324	3.0
134.06033	2.6
134.99643	28.2
137.01778	2.9
137.02792	19.0
138.02518	3.3
139.03899	1.8
139.53087	6.2
140.00146	1.8
140.02240	2.2
140.07001	2.1
140.98593	1.7
141.02229	2.1
142.03201	6.2
142.04903	1.8
142.08646	8.0
142.10539	4.1
143.00145	4.7
143.01732	3.4
145.01619	3.1
145.04941	1.9
146.00377	1.8
146.02318	4.7
146.04474	43.8
146.05948	4.4
146.08109	1.8
146.99628	22.5
147.06293	2.0
148.53650	2.5
149.02321	4.1
150.02626	9.2
152.02255	3.3
152.52672	1.4
153.03070	3.2
155.02785	4.4
157.01456	3.2
157.03409	1.5
158.99634	11.1
160.04268	19.2
160.09673	8.4
160.97507	3.0
161.01167	7.6
161.02664	3.1
162.99152	1.6
163.02695	3.4
165.00693	4.9
166.03835	1.5
167.01050	1.8
167.02805	2.4
170.01326	3.1
170.08156	12.3
170.99637	9.0
171.08463	1.7
171.27515	1.6
173.01196	3.5
174.01793	3.1
174.03548	4.6
175.02597	3.6
177.00671	13.5
178.03156	2.1
178.04903	3.7
178.08594	3.9
179.02412	2.8
182.99617	2.3
184.03023	2.7
186.99156	3.3
187.02820	2.9
188.03513	9.0
188.09160	10.8
188.10823	2.5
189.00691	18.2
189.07304	3.3
191.14265	3.9
193.00159	2.2
195.01645	2.8
201.00650	8.6
202.98553	2.6
203.02229	5.0
205.00258	3.3
206.02719	2.0
206.04773	29.9
206.08189	7.2
206.10201	24.0
206.12035	2.6
207.01695	3.1
212.02361	2.7
219.01759	8.0
227.02104	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	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05506	17.8
57.07051	6.0
65.03951	1.9
67.05503	13.8
69.07062	25.8
70.66625	4.2
79.05482	17.4
81.07049	55.9
83.08615	13.6
88.34779	1.3
88.58925	1.2
91.05454	8.7
93.07035	67.2
95.04975	1.6
95.08596	37.6
97.10172	8.9
105.07015	6.8
107.08588	48.8
109.10148	30.4
111.11716	1.7
119.08544	1.9
121.10131	100.0
122.10477	2.7
123.11698	16.1
125.04690	1.5
135.11682	29.2
137.13235	2.6
149.02357	4.8
149.13248	66.5
150.06870	1.4
160.43605	1.3
163.14871	6.1
205.19502	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	205.1585
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03918	1.9
55.01849	1.6
55.05500	8.0
56.96552	5.1
57.03414	2.5
57.07074	16.0
60.04516	3.2
61.02918	1.2
65.03944	7.9
67.05202	1.4
67.05504	18.9
69.03416	3.0
69.07066	15.2
71.04985	1.7
71.71976	1.4
77.85513	1.1
79.05491	14.7
81.03410	2.9
81.07052	66.4
83.04977	18.5
83.08596	3.6
84.04488	3.3
85.02885	3.3
85.04811	2.5
91.05473	22.7
93.03376	2.5
93.07036	23.8
95.04955	3.6
95.08018	2.5
95.08601	35.8
96.04459	1.2
97.02884	9.3
97.04813	2.5
97.10188	1.7
98.03191	2.6
99.04427	2.1
103.05463	3.6
105.07023	56.6
107.04944	1.1
107.08587	25.4
109.02841	3.6
109.06503	3.6
109.10132	7.7
111.04396	2.1
114.05480	1.7
115.05354	7.1
116.06184	2.0
117.07012	21.1
119.08570	48.2
119.09426	2.3
119.97890	1.6
121.02859	13.6
121.03725	1.4
121.04057	1.5
121.06503	8.8
121.10126	21.7
123.08036	2.6
123.11698	41.1
126.05426	1.5
127.03925	2.1
127.05828	4.3
128.06177	1.4
129.06990	3.8
130.07747	5.1
131.04912	2.1
131.08562	41.2
133.10112	33.2
135.08035	7.8
135.11694	9.4
141.07004	1.2
143.08586	6.1
144.09335	4.1
145.06476	13.7
145.10118	67.2
146.10756	1.8
147.08018	3.4
147.11684	18.8
149.02333	100.0
149.05936	5.7
149.09604	4.6
149.13249	5.1
150.02682	2.3
155.06041	1.8
157.10103	3.2
158.10924	4.8
159.08011	3.0
159.11687	23.6
160.12172	1.4
161.05943	1.5
161.13219	5.4
162.10283	1.4
163.07523	2.1
163.11127	5.7
163.14838	2.1
167.03436	1.4
173.06012	5.4
173.13255	19.2
175.14821	45.8
177.05557	1.4
177.09045	2.2
177.12744	4.8
177.16364	12.5
181.97887	2.3
187.07727	2.0
187.11162	5.0
187.14816	31.1
190.06297	1.9
190.07742	1.2
191.14391	1.4
205.04912	11.7
205.08603	6.9
205.12363	16.7
205.14157	6.1
205.15863	58.3
205.19382	3.3
206.08072	1.4
228.14189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	Khusimone
Peak:m/z	Relative Intensity
50.24473	1.7
53.03931	2.4
55.01867	1.3
55.05506	14.1
56.96502	1.5
57.07069	14.3
57.68609	1.2
60.04520	1.5
64.34301	1.3
65.03922	4.1
67.05165	1.8
67.05501	21.0
69.03424	1.4
69.07062	19.8
71.04975	1.5
71.70159	2.0
79.05490	14.7
81.03398	2.5
81.07051	99.9
83.04523	2.2
83.04975	30.3
83.08604	4.9
91.05466	22.3
93.03400	1.6
93.07040	26.9
95.04955	4.6
95.08599	45.9
97.02869	4.6
97.10159	3.2
98.03156	1.7
99.04420	1.4
103.05451	2.0
105.07022	78.9
106.07337	1.6
107.08586	30.8
108.08947	1.6
109.06487	3.1
109.10144	7.7
111.08081	1.7
115.05375	2.1
117.06998	17.2
119.08569	66.3
120.08886	1.9
121.02837	6.0
121.06473	5.1
121.10129	25.4
123.11700	85.2
127.05820	3.6
128.06137	1.7
129.06981	5.0
130.07762	6.8
131.08556	56.7
133.10114	50.1
135.08017	4.6
135.11703	7.6
143.08553	10.2
144.09325	3.5
145.10109	100.0
146.10547	2.9
147.11673	22.4
149.02335	50.7
149.13228	3.9
150.02676	1.3
157.10081	4.5
158.10890	7.8
159.11687	23.7
160.12448	2.9
161.13258	5.0
163.11192	2.4
163.14735	1.6
172.12384	3.0
173.13248	37.0
174.13800	1.7
175.14816	79.9
176.15091	2.0
177.05418	1.8
177.12711	4.0
177.16389	14.3
187.07640	1.5
187.11162	3.0
187.14813	48.5
188.15114	2.1
205.04970	4.1
205.08705	4.1
205.12242	7.2
205.14233	5.2
205.15862	91.8
206.08253	2.0
206.16020	2.0
214.68716	1.7
215.53503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.08581	0.2
51.02385	0.2
52.31108	0.2
53.03933	1.7
55.01853	0.2
55.05497	0.6
57.07066	2.2
59.05011	0.2
60.04514	0.4
61.04866	0.2
63.74554	0.2
65.03934	1.6
66.29132	0.2
67.05514	0.5
68.05023	0.3
69.03425	0.7
69.07042	0.6
71.71297	0.3
77.03912	0.7
79.05494	0.7
80.35513	0.2
81.03396	0.6
81.07052	1.1
83.04956	0.7
84.04501	0.4
85.02888	0.7
85.04843	0.4
91.05470	11.8
93.03410	0.5
93.07035	49.0
94.07388	0.5
95.04958	4.2
95.05522	0.4
95.08592	0.8
96.88579	0.2
97.02871	1.3
97.06521	0.3
98.03225	0.3
103.05486	0.4
105.04517	0.7
105.07022	2.8
107.04951	0.4
107.08575	1.1
109.02860	0.7
109.06522	0.7
109.10128	0.4
111.04395	0.4
115.05413	0.7
115.59903	0.2
116.05302	0.2
116.06223	0.3
117.07004	2.1
119.08567	2.2
121.02909	2.0
121.06493	100.0
121.10082	1.4
121.12991	0.3
122.06813	2.3
123.08056	0.5
126.05522	0.3
127.03853	0.2
127.05849	0.7
128.06212	0.4
129.07042	1.2
130.07758	0.5
131.04927	0.7
131.08568	2.8
133.10115	1.2
135.04388	0.6
135.08060	1.1
135.11670	1.1
143.08492	0.3
144.05656	0.3
144.09326	2.9
145.06442	1.6
145.10103	2.5
147.08038	0.6
147.11650	0.4
149.02330	13.4
149.05956	1.3
149.09564	0.4
149.13222	0.5
150.02631	0.5
155.05971	0.3
157.10162	0.4
158.96404	0.3
159.04390	0.5
159.08032	1.4
159.11671	7.2
160.89052	0.3
161.05975	0.8
161.09671	0.5
161.13210	0.5
161.55048	0.2
163.03893	0.3
163.07516	0.6
163.11189	2.2
172.08844	0.8
173.05995	0.5
175.07555	0.3
177.05431	0.4
177.12724	1.2
187.07513	0.4
187.11180	4.8
190.09798	0.3
205.04926	2.4
205.06842	0.5
205.08897	1.9
205.12221	21.6
205.13960	0.8
205.15805	1.0
206.12569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.14862	0.4
53.03939	2.2
54.03973	0.3
55.01858	1.0
55.05495	1.1
56.03208	0.3
56.05828	0.5
57.03434	0.4
57.07070	3.2
58.99583	0.4
60.04538	0.4
61.02914	0.5
65.03936	1.7
67.05499	1.0
67.17800	0.3
69.03419	1.1
69.07063	0.8
70.28508	0.3
71.70499	0.6
72.78328	0.3
73.65107	0.3
76.02229	0.3
77.03907	0.6
79.05479	1.6
79.17714	0.3
81.03421	1.1
81.07052	2.1
82.07380	0.6
83.04979	0.6
84.04502	0.5
85.02891	1.3
86.03181	0.3
86.99017	0.4
91.05473	14.2
93.03415	0.7
93.07037	51.1
94.07378	0.9
95.04966	5.0
95.08604	0.9
96.04492	0.5
97.02889	1.9
97.04811	0.6
98.03201	0.7
99.04435	0.4
100.11250	0.6
101.11563	0.4
103.05464	1.0
105.04521	0.9
105.07014	3.8
107.04935	0.4
107.08606	1.9
109.02850	0.9
109.06520	0.9
109.10209	0.7
111.04458	0.5
115.05379	2.3
116.06199	0.4
117.07008	4.2
118.06537	0.4
119.08562	2.8
120.08910	0.4
121.02899	3.2
121.06496	100.0
121.10125	1.9
122.06824	1.9
123.08078	0.8
127.03874	0.7
127.05875	0.7
128.06219	0.4
128.78294	0.3
129.06984	2.0
130.07811	0.4
130.53358	0.3
131.04887	1.9
131.08568	3.4
133.10092	1.9
135.04449	0.9
135.08046	1.3
135.11674	1.1
137.05945	0.4
139.48965	0.4
141.07005	0.5
143.08563	0.7
144.05748	0.4
144.09357	3.4
145.06464	4.6
145.10118	4.9
146.06021	0.7
147.04427	0.4
147.08063	0.8
147.11655	0.6
149.02332	25.1
149.05978	3.2
149.09619	0.5
149.13229	1.0
155.06036	0.9
159.04395	0.8
159.08070	2.4
159.10408	0.5
159.11682	9.7
161.05962	0.9
161.09596	0.9
163.03937	0.6
163.07538	0.7
163.11172	2.6
167.03410	0.4
172.08813	1.0
173.05978	2.3
175.07623	0.4
177.05469	1.4
177.09138	1.2
177.12726	1.8
181.97931	0.7
187.03922	0.4
187.07545	0.9
187.11168	6.4
187.14854	0.6
188.08273	0.6
190.06322	0.7
205.04942	6.0
205.06798	0.7
205.08821	3.7
205.12253	23.2
205.14085	2.2
205.15956	2.2
206.04495	0.5
206.08144	0.6
206.12535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.097
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
53.03938	0.5
54.46818	0.5
55.05486	0.5
56.96561	1.0
57.07071	4.6
60.04516	1.8
61.02912	0.8
65.03925	2.1
67.05504	0.9
68.05035	0.7
69.03427	1.3
69.05320	0.5
69.24841	0.7
70.31846	2.3
74.02431	1.7
78.27007	0.5
78.95258	1.0
79.05511	0.8
81.03408	1.2
81.07047	0.9
85.02884	1.8
89.40246	0.6
91.05468	3.8
93.07030	2.1
95.04938	0.6
95.08585	1.5
96.04482	0.9
97.02877	2.7
97.04784	1.0
98.03211	1.2
99.04440	0.8
101.20969	0.6
103.05450	1.2
105.07021	1.4
107.08598	1.2
109.02847	1.8
109.10171	0.6
110.05991	0.5
111.04451	1.0
114.05522	0.6
115.05328	3.0
117.05737	1.8
117.06987	3.6
118.06527	44.5
119.08569	0.8
119.97875	1.1
121.02858	3.4
121.06506	2.1
121.07548	0.6
121.10133	1.9
127.03887	0.8
127.05829	1.2
130.06525	3.4
131.08546	1.8
132.08084	10.7
133.10114	1.0
135.11673	1.4
142.06505	5.2
143.07266	7.0
144.04465	0.9
144.08073	21.1
145.06483	1.5
145.10124	1.1
146.05991	100.0
147.06314	1.8
147.84059	0.6
149.02325	29.0
149.06000	0.7
149.13173	0.7
155.06042	0.9
158.96196	0.7
159.07944	0.7
159.09160	10.6
159.11699	1.8
160.07550	1.5
163.04027	0.5
163.11166	1.0
163.96767	1.0
170.06000	7.5
177.05406	0.6
177.09163	0.6
177.12695	1.1
181.97868	1.3
187.11111	0.6
188.07048	86.4
189.07407	1.2
191.34044	0.5
205.04929	2.2
205.08759	3.4
205.12364	2.9
205.14105	1.1
205.15834	1.6
205.19653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03944	1.4
54.28169	1.1
55.05504	13.1
57.07058	3.1
67.05499	22.6
69.07068	13.7
69.43546	11.9
79.05085	1.4
79.05483	9.2
81.07055	36.0
83.08599	4.9
90.30494	1.0
91.05472	16.0
93.07033	20.3
94.44827	1.2
95.08599	73.3
96.08952	1.3
97.10158	1.5
105.07021	65.7
106.07369	1.6
107.08587	27.8
109.06521	1.2
109.10145	49.7
117.07003	4.5
119.08572	75.1
120.08932	1.6
121.10143	24.7
123.11701	8.2
131.08591	5.8
133.10117	59.1
135.11710	7.6
143.08542	1.1
145.10112	9.2
147.11681	70.1
148.12276	1.2
159.11658	4.0
160.12468	2.5
161.13246	30.8
174.14069	1.6
175.14845	10.0
203.17944	100.0
204.08861	1.4
204.18298	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	204.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01863	6.7
55.05241	1.8
55.05507	30.3
56.05021	6.2
57.03426	1.9
57.07064	5.8
57.98788	1.9
58.99582	70.9
60.04230	2.7
60.04520	38.2
61.01145	10.4
61.02913	5.1
62.01861	1.3
68.05023	19.0
69.03415	5.3
69.07064	3.9
70.06558	2.8
70.74612	4.8
72.04479	2.4
73.01133	19.7
73.02901	1.9
74.00655	5.1
76.02221	20.1
79.05485	11.7
81.03387	3.0
81.07050	62.9
82.06596	2.0
83.08611	12.4
84.04498	40.6
85.01137	3.9
85.02910	11.2
86.99046	39.1
87.02652	3.7
88.02221	5.2
88.03992	3.9
91.05479	7.4
93.07041	20.1
95.05003	2.4
96.04488	45.5
97.02887	44.0
98.06050	7.7
99.02675	4.0
99.04435	3.4
100.11249	100.0
105.00091	16.5
105.07023	1.9
107.08582	3.8
109.02872	3.4
110.06046	10.5
112.11227	3.6
113.04226	1.5
114.05522	31.0
115.05800	18.1
116.05321	9.0
117.07064	2.7
120.01171	1.9
120.08918	2.1
121.02835	1.8
121.06498	37.7
122.06004	2.8
124.11223	1.7
126.05505	48.9
127.03912	2.9
131.04848	1.9
138.05525	8.8
141.07343	6.9
144.06587	9.4
144.08896	1.7
145.04921	4.0
145.06526	2.6
149.02357	16.3
149.05931	2.3
156.06549	4.9
158.09973	33.2
159.11691	2.4
162.06381	2.4
162.07582	2.0
168.06538	10.1
171.11201	4.2
174.09157	2.0
186.07590	6.8
186.13593	2.7
187.07863	67.5
187.09561	3.4
188.10712	5.6
189.11443	8.1
204.06841	3.3
204.08670	35.2
204.10576	31.2
204.13777	40.0
205.04933	3.4
205.12201	7.1
209.57014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03918	1.6
55.05497	8.4
57.07056	1.7
67.05499	20.9
69.07060	12.8
70.27939	3.3
70.28342	1.8
77.03917	1.1
79.05479	11.1
79.83374	0.9
81.07049	37.8
82.46042	0.9
82.95044	0.9
83.08594	4.0
91.05470	19.2
93.07034	28.5
95.04942	2.3
95.08596	66.3
97.10150	1.4
105.07018	57.6
107.07843	1.2
107.08583	39.8
109.10146	42.1
117.06961	1.1
119.08566	39.7
121.10137	27.2
123.11698	7.4
131.08575	3.0
133.10117	38.7
135.11658	4.1
143.28058	1.0
145.10106	2.8
147.11674	69.5
148.12041	1.1
159.11748	1.2
160.12474	1.4
161.13222	18.6
168.86568	0.9
175.14804	8.7
179.84138	1.2
199.41411	0.9
203.17935	100.0
204.18208	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.07933	1.3
53.03936	1.3
55.05500	7.5
57.07056	2.5
59.64815	1.1
63.88826	1.2
67.05494	21.4
69.06757	1.0
69.07066	10.6
71.29240	2.0
79.05496	7.4
79.62576	1.2
81.07048	30.3
83.08594	3.2
84.04497	1.1
90.34338	1.1
91.05472	16.6
93.07043	19.3
95.08598	66.8
105.07019	55.1
107.07858	1.7
107.08580	33.3
109.10142	43.3
117.06982	1.4
119.08571	64.3
120.08913	1.1
120.81300	1.2
121.10126	17.1
123.11681	8.7
123.68365	1.2
130.43861	1.0
131.08560	2.4
133.10120	42.5
135.11659	4.2
145.10095	4.5
147.11673	76.5
148.12068	1.2
159.11618	1.7
160.12444	1.8
161.13239	26.5
174.31290	1.0
175.14841	8.6
203.17937	100.0
204.18285	2.9
217.93015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.96304	1.1
53.03942	1.5
53.57998	0.8
55.05503	9.4
57.07061	1.7
63.38982	0.9
67.05500	23.7
69.07064	11.7
70.51983	3.1
75.45329	0.8
79.05489	9.2
81.07050	37.3
83.08587	3.8
84.04501	1.0
91.05469	19.3
93.07032	17.8
95.08597	77.5
96.08932	1.1
97.10106	1.3
100.77618	0.8
103.05463	0.9
105.07022	57.1
106.07317	0.8
107.08584	32.4
109.10146	48.1
117.06994	1.9
119.08571	70.0
120.08832	0.9
121.10131	20.7
123.11711	9.6
131.08551	2.3
133.10118	42.6
135.11684	3.8
143.44780	0.8
144.06578	0.8
145.10095	5.7
147.11674	79.0
148.12086	1.4
159.11714	1.6
160.12498	1.3
161.13248	30.1
174.14131	1.1
175.14825	8.8
180.82458	0.8
203.17935	100.0
204.08649	0.9
204.13846	1.7
204.18233	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03931	1.2
55.01835	1.1
55.05507	7.9
55.88837	1.2
57.07055	2.1
60.04502	3.2
67.05499	7.0
68.05000	3.9
69.03416	1.1
69.07065	21.2
70.52258	2.9
70.52657	1.8
70.82179	1.0
79.05478	4.3
81.07048	10.0
83.08601	4.5
84.04501	8.9
85.02889	2.4
91.05467	9.0
91.76425	1.0
93.07027	6.7
95.08598	19.9
96.04494	5.1
97.02883	6.4
98.06085	1.6
104.89188	1.2
105.07023	32.4
107.08596	10.0
109.10133	12.9
109.10799	1.6
114.05519	4.9
117.07012	2.5
119.08571	68.3
121.10123	17.1
123.07983	1.2
123.11661	1.7
126.05492	10.4
129.06912	1.8
131.08528	4.3
133.10120	61.2
135.11699	3.6
138.05420	1.0
143.08557	2.1
144.06621	2.2
145.10117	27.8
147.11673	42.7
156.06493	1.2
157.10086	1.7
159.11722	8.2
160.12445	8.9
161.09592	5.3
161.13260	41.2
173.13289	3.2
175.14812	6.3
185.13258	2.1
186.07596	1.8
203.14323	11.8
203.17937	100.0
204.06921	1.2
204.08630	6.3
204.13838	1.9
204.18280	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03921	1.0
55.05276	0.6
55.05506	5.8
57.07055	1.2
61.38723	0.6
65.03921	0.9
67.05145	1.1
67.05495	19.4
69.07059	8.2
69.33000	0.5
69.73954	4.1
79.05482	8.3
81.07046	28.2
83.08607	2.2
84.70792	0.6
91.05463	11.6
93.07031	21.6
95.04949	1.0
95.08594	64.6
96.08932	0.7
97.02846	0.5
97.10148	1.3
98.21434	1.1
103.05463	0.6
105.07017	46.1
105.95660	0.5
106.07358	0.8
107.08580	36.3
107.63614	0.5
108.08910	0.8
109.10139	40.9
110.10481	0.6
117.06997	0.9
119.08564	33.9
121.10124	18.2
123.11694	6.6
126.05506	0.8
131.08553	1.8
133.10117	26.1
134.10477	0.5
135.11665	3.1
137.25380	0.6
138.22893	0.6
145.10120	2.2
147.11668	47.8
148.11977	1.0
149.47847	0.6
159.11734	0.7
160.12433	0.9
161.13239	17.8
170.39076	0.7
175.14801	9.8
203.17934	100.0
204.08781	0.8
204.18271	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.73623	0.9
53.03929	1.6
55.05508	9.1
57.07060	4.4
67.05502	18.2
69.07064	15.8
69.22405	1.0
69.43089	2.8
69.43489	7.8
73.89500	1.1
79.05472	9.5
79.73658	0.9
81.07053	34.2
83.08607	3.8
84.04508	1.2
91.04946	1.5
91.05476	20.4
93.07041	17.7
95.04958	1.6
95.08601	49.8
97.10172	1.6
101.12839	1.1
105.07026	100.0
107.08587	25.1
109.10147	34.8
117.07008	2.4
119.08572	50.9
121.10123	16.2
123.11699	7.9
126.05593	1.2
131.08562	4.8
132.09390	1.1
133.10121	46.6
135.11708	6.1
145.10098	5.0
147.11682	70.6
148.12015	1.8
159.11719	3.2
160.12460	2.3
161.13248	21.9
173.13330	1.2
175.14799	10.8
202.18161	1.0
203.17947	84.1
204.18355	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03945	1.5
55.01873	0.7
55.05507	6.0
56.40779	0.5
57.03413	0.7
57.07072	1.1
59.25545	0.5
60.04511	3.2
65.03934	1.2
67.05145	1.2
67.05498	21.0
68.05014	2.0
69.07058	8.9
69.62566	5.0
79.05485	8.9
80.05824	0.6
80.06266	0.8
81.07050	30.1
82.07317	0.6
83.08600	2.4
84.04501	5.2
85.02915	1.3
91.04974	0.5
91.05468	15.4
93.07037	27.5
95.04963	1.5
95.08598	64.0
96.04488	3.3
96.08905	0.7
97.02869	4.1
97.10138	1.0
98.06034	0.8
104.79948	0.6
105.03371	0.9
105.07024	49.5
107.08586	40.0
109.06487	1.0
109.10146	41.8
110.06023	0.8
110.10457	0.8
114.05517	3.0
117.07012	1.1
119.08567	35.8
121.10137	20.1
123.11697	7.9
125.26622	0.6
126.05519	7.3
128.06157	0.6
129.06993	1.3
131.08559	2.1
133.10117	26.2
135.11682	3.9
142.07774	1.3
143.08533	1.5
144.06543	1.4
145.10164	3.8
147.08054	1.3
147.11676	44.9
157.10114	2.3
159.11710	1.5
161.09610	0.9
161.13248	17.8
168.06612	1.4
175.14803	9.6
175.18919	1.3
185.09676	0.9
185.13274	1.3
189.11494	0.8
203.05249	0.8
203.10634	2.1
203.14287	6.3
203.17940	100.0
204.08676	3.5
204.13841	3.5
204.18265	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	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.64446	1.0
53.03940	1.9
54.23798	1.2
55.01852	1.4
55.05507	10.9
57.07058	3.7
60.04522	10.3
61.02919	2.7
65.45055	1.0
66.45500	1.0
67.05498	21.8
68.05006	5.0
69.03424	2.3
69.07067	18.1
69.88725	7.3
71.08643	1.1
76.87778	1.1
77.77561	1.0
79.05488	10.3
81.03423	1.4
81.07049	38.1
83.08627	5.1
84.04501	12.2
85.02921	5.7
91.04942	2.1
91.05472	25.5
93.07046	19.2
95.04982	2.2
95.08601	62.1
96.04483	11.0
97.02891	12.5
98.06036	1.3
98.21410	2.0
99.04420	1.4
103.05471	3.2
105.07023	99.9
107.08587	28.2
109.06518	1.6
109.10149	42.0
110.06012	3.1
114.05518	11.7
115.03871	1.8
115.05435	5.4
117.07002	7.6
119.08572	76.2
120.08914	1.1
120.96471	1.2
121.06493	1.1
121.10135	20.7
123.11706	11.4
126.05508	17.9
127.03867	2.0
128.06238	1.6
129.06985	3.7
130.07721	1.4
131.08563	10.9
131.10185	1.1
132.05754	1.6
133.06497	2.5
133.10123	59.1
135.11674	5.4
138.05466	3.0
142.07774	5.8
143.04880	2.1
143.08475	3.8
144.06534	3.1
145.06476	2.0
145.10098	13.7
147.04419	3.1
147.08046	2.8
147.11678	85.2
148.12053	2.6
155.06013	1.1
156.06497	2.1
157.06401	1.3
157.10123	9.0
159.11646	8.2
160.05167	3.9
160.12450	4.4
161.05951	3.3
161.09657	3.9
161.13251	31.2
168.06548	2.3
170.10889	2.0
174.13979	1.7
175.03938	2.7
175.07515	7.6
175.11261	2.2
175.14828	10.0
185.05980	1.5
185.09607	2.3
185.13292	7.0
186.07570	1.7
187.85023	1.2
188.04608	1.4
188.10588	1.6
203.03407	3.7
203.07011	11.9
203.10622	11.6
203.14352	18.5
203.17940	100.0
204.08620	10.2
204.13777	8.9
204.18282	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03935	1.8
54.04006	0.9
55.01857	2.3
55.05504	12.5
56.05021	1.1
57.03440	1.7
57.07060	3.8
57.29184	0.9
59.04989	1.2
60.04522	9.0
61.02923	2.1
64.97915	0.9
67.05502	20.9
68.05022	5.2
69.03421	1.9
69.07063	14.2
69.39774	1.5
69.40182	9.7
74.02148	1.0
79.05482	9.9
81.07052	30.4
83.01331	1.0
83.04978	1.2
83.08601	5.2
84.04498	10.5
85.02888	3.3
88.92458	0.9
91.05473	19.4
93.07038	19.3
95.05001	1.2
95.08599	66.7
96.04492	9.3
96.08921	1.3
97.02882	11.1
97.10168	2.3
99.04466	1.6
103.05441	1.2
105.07023	63.5
106.07336	1.4
107.08586	32.0
109.06523	1.2
109.10148	43.7
110.06016	2.1
114.05516	7.6
115.05448	2.2
116.06155	1.0
117.07027	4.8
119.08572	71.9
120.08889	1.2
121.06519	1.4
121.10140	22.0
123.11694	7.2
126.05502	14.9
128.06197	1.7
129.07013	4.7
131.08568	6.4
133.10121	62.8
134.10448	1.1
135.11679	4.3
137.22580	0.9
138.05486	2.4
141.06940	1.2
142.07764	2.9
143.08563	3.0
144.06546	3.7
145.04875	1.7
145.06448	1.1
145.10103	11.5
147.04399	2.9
147.07997	2.6
147.11678	63.4
148.12041	1.3
157.06377	1.3
157.10136	7.7
159.11661	7.7
160.12415	3.5
161.09593	2.8
161.13252	31.2
168.06519	2.3
170.10887	1.1
173.13281	1.5
175.07515	3.5
175.11159	2.0
175.14832	13.6
185.05977	1.4
185.09618	2.3
185.13240	4.3
186.07565	2.8
188.10661	1.2
189.11568	1.6
203.03403	2.2
203.07004	7.2
203.08937	0.9
203.10674	5.9
203.14423	11.5
203.17938	100.0
204.06827	1.4
204.08646	8.9
204.13805	8.0
204.18324	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03949	1.0
54.46833	0.6
55.05513	5.9
57.03425	1.5
57.07059	1.0
57.91069	0.7
60.04509	2.2
60.47066	0.7
60.76353	0.7
61.02919	1.0
63.29173	0.6
65.03949	1.1
67.05161	1.2
67.05500	21.1
67.05857	1.4
68.05017	2.8
68.73456	0.6
69.03403	1.1
69.07059	7.8
70.24134	3.3
74.70450	0.6
75.70837	0.6
76.75432	0.6
79.05481	9.9
81.07050	30.6
83.08588	2.4
84.04503	4.7
85.02889	1.8
91.05476	13.9
93.07040	25.7
95.04945	1.8
95.08601	69.3
96.04483	3.7
97.02869	4.4
97.10162	1.1
98.06007	1.0
103.05454	0.9
105.07021	47.3
106.07323	0.9
107.08587	40.2
109.06474	0.8
109.10147	37.9
111.05679	0.7
114.05511	3.6
115.03898	0.6
116.01312	0.7
116.06234	0.7
117.06992	2.2
119.08574	35.6
120.08961	0.7
121.06573	0.8
121.09288	1.1
121.10139	21.8
123.11703	6.3
126.05514	5.2
128.06230	1.0
129.06981	1.7
131.04884	1.4
131.08507	3.3
133.10117	29.2
135.11650	3.5
138.05504	1.1
142.07770	1.5
143.08557	2.3
144.06558	1.1
145.10117	4.0
147.08025	1.6
147.11679	44.5
148.12216	0.8
157.10136	4.5
159.11687	2.7
160.12463	1.1
161.09558	1.0
161.13245	16.1
168.06537	1.0
170.10872	1.3
175.07487	1.0
175.11285	1.2
175.14807	8.9
185.09639	1.4
185.13194	1.7
203.07004	1.6
203.10724	3.1
203.14291	6.8
203.17946	100.0
204.08691	3.4
204.13866	4.3
204.18327	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01859	1.2
55.05509	8.3
56.05031	16.9
57.98790	0.8
58.99582	31.1
61.01143	1.4
68.05031	1.7
69.43126	6.2
70.06564	1.2
74.00660	1.5
76.02222	6.8
79.05489	32.1
80.05032	1.0
80.05839	0.7
81.07048	19.6
82.06573	9.2
84.24030	0.6
85.01124	100.0
86.00648	15.6
86.01472	1.2
86.99051	17.6
87.02686	1.4
88.02219	4.7
88.03996	2.5
94.06573	0.8
95.04953	2.2
95.08651	0.8
96.08131	2.8
97.01116	0.7
97.08904	6.6
98.09689	25.9
100.02204	0.8
105.00089	7.4
105.07041	1.8
108.08077	1.0
110.09692	1.3
113.04221	38.0
120.01179	2.6
122.09676	2.1
131.01616	1.4
132.01146	11.8
139.05753	1.5
156.08388	7.3
160.07587	0.7
161.06035	1.3
175.07654	0.9
179.34956	0.6
185.06303	3.4
202.08987	10.8
202.10794	1.0
203.07149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81785	1.0
57.73429	1.0
68.04999	1.1
71.68363	0.9
85.02888	1.2
96.04475	1.2
97.02907	2.7
101.00839	2.3
114.05553	1.1
119.01908	3.8
129.70682	1.0
143.01903	3.2
161.02972	5.7
203.05261	100.0
204.05553	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	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
50.27305	0.4
53.03856	1.0
53.04077	0.5
55.01762	1.9
55.05403	2.2
55.05694	1.0
56.96455	1.6
59.02466	0.4
60.04437	1.0
60.04697	0.5
60.91163	0.5
67.01750	5.7
67.02151	1.0
67.05382	2.9
67.05765	0.8
68.04952	1.0
69.03313	6.6
69.03731	1.3
69.06975	0.8
70.46587	1.9
73.01981	0.4
79.05377	7.0
79.05876	0.8
81.06937	5.9
83.04890	1.0
84.04388	2.4
85.02801	0.6
91.05371	9.3
93.03299	1.3
93.06930	7.1
95.04853	3.3
95.08597	2.5
96.04377	1.7
96.04912	0.4
97.02888	3.4
97.82214	0.5
101.45033	0.4
103.05367	1.8
105.03313	1.4
105.07022	10.7
107.04948	27.3
107.05643	1.0
107.08616	2.4
109.06500	4.1
109.10052	1.7
111.04453	2.3
114.05424	1.5
115.05370	1.7
117.07027	3.0
119.04874	0.7
119.08572	11.2
121.06499	10.1
121.10045	0.8
123.04412	6.9
124.05218	3.4
125.05962	0.6
126.05502	4.0
128.06148	1.9
129.06999	12.8
131.04929	3.4
131.08559	2.7
132.05629	1.7
133.06499	7.1
133.10121	4.0
135.04408	23.6
135.07976	0.8
136.04680	0.6
137.01756	0.6
137.05968	15.5
138.05426	0.5
141.06914	1.0
142.07758	5.8
143.08485	1.4
144.06549	0.6
144.09296	0.8
145.06474	5.1
145.10051	1.9
146.07260	3.1
147.04387	5.3
147.08043	18.7
147.11658	5.3
148.08272	0.6
149.05980	2.8
153.05457	4.7
153.83693	0.5
157.06491	2.7
157.10126	10.2
159.03839	1.8
159.08080	2.3
159.11612	1.2
160.02840	0.5
160.05219	4.0
160.08800	3.1
161.05974	29.3
161.09579	6.0
161.13239	0.7
162.06595	2.1
162.99150	0.6
166.04607	1.5
170.07245	0.7
173.05984	2.2
174.06764	8.0
175.07538	63.5
175.11116	10.1
176.07828	1.6
180.04370	2.6
180.54523	0.7
185.05940	0.8
185.09587	4.2
185.13214	0.6
188.08301	10.6
189.04915	1.3
191.55086	0.8
200.55807	0.5
201.00696	1.1
203.07069	17.0
203.10654	100.0
203.14507	2.0
203.17961	3.5
204.08707	2.1
204.10936	2.7
204.13916	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	201.1635
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
51.16659	0.8
57.07062	1.2
59.61627	0.7
60.68409	0.6
62.46332	0.6
67.05487	1.4
69.07062	1.1
70.71029	2.5
79.05449	1.3
81.07049	3.1
91.05493	3.5
91.05972	0.8
93.07032	1.6
95.08582	2.3
98.20760	0.7
105.07018	6.7
107.08566	2.3
109.10082	0.7
114.70517	0.7
115.05462	1.1
117.07021	5.6
119.08567	6.6
121.10103	1.4
128.06210	3.8
129.06995	5.1
130.07767	3.2
131.08560	12.7
133.10117	4.3
141.06961	1.2
142.07756	2.8
143.08551	19.1
144.09334	14.1
145.10118	16.5
147.11702	0.9
152.25623	0.8
155.08517	1.1
157.10103	8.5
158.10905	14.2
158.53212	0.7
159.08055	1.9
159.11682	100.0
160.11981	3.3
168.09315	2.1
171.11687	3.3
172.12428	1.3
173.13232	6.3
183.11674	2.4
186.14012	2.0
201.12747	8.2
201.16376	56.3
202.16740	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	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03945	1.1
55.01861	0.6
55.05510	1.2
57.07072	0.8
61.82358	0.5
65.03941	0.7
67.05497	4.2
67.44041	0.5
69.03421	2.0
69.07067	1.2
70.08771	0.5
70.20970	1.2
70.21365	1.4
71.04991	0.6
71.91039	0.5
77.78871	0.5
79.05495	3.7
81.07035	4.1
91.05473	12.4
93.07041	6.4
95.04971	2.2
95.08598	2.3
98.20787	0.8
103.05465	1.0
104.06210	0.7
105.07022	12.5
107.08592	4.0
109.06499	2.0
109.10113	0.8
111.83071	0.6
115.05428	3.6
115.06142	0.5
116.06243	2.1
117.07009	7.6
118.96730	1.6
119.04940	0.5
119.08572	20.2
121.06506	2.8
121.10194	0.6
127.03893	0.7
128.06206	9.6
129.07002	11.7
130.07831	3.4
131.08559	39.3
132.96613	0.6
133.10117	36.9
135.08005	0.7
137.05888	0.6
141.07007	3.3
142.07771	5.5
143.08548	45.7
144.05655	1.0
144.09337	9.4
145.06490	6.1
145.10112	35.1
146.07201	1.0
147.08083	0.8
153.06970	2.7
154.96509	0.9
155.05995	1.0
155.08548	6.2
156.09340	1.8
157.06494	1.8
157.10114	8.3
158.07306	4.9
158.10898	38.4
159.08057	11.8
159.11682	18.4
160.08806	0.8
161.09616	1.0
165.02052	0.5
165.05421	0.7
165.52586	0.6
167.08588	1.1
168.09349	5.7
171.08031	10.2
171.11638	3.5
172.08829	12.5
172.12402	0.9
173.05907	1.1
173.09662	12.9
173.13248	100.0
174.13562	2.4
177.98027	1.8
183.06509	0.7
183.11655	7.2
185.09599	2.1
186.10385	41.1
187.10733	1.3
201.05461	2.1
201.09160	3.4
201.12724	83.8
201.16354	8.3
202.13144	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	201.1272
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.05492	1.9
65.03930	1.0
67.05501	4.7
67.91821	0.7
69.03419	1.8
69.07045	1.2
71.04959	0.8
71.10650	2.0
79.05470	2.4
81.07053	4.2
83.08588	1.1
91.05473	11.1
93.07031	6.0
95.04959	2.6
98.20782	1.0
103.05466	1.1
105.07018	12.0
107.08588	1.2
109.06517	1.9
109.10078	0.8
115.05430	3.2
116.06215	2.2
117.07004	6.8
118.96738	2.5
119.04981	0.9
119.08568	19.7
121.06487	3.1
123.11677	1.6
125.01501	0.7
128.06216	9.0
129.06992	11.4
130.07773	4.1
131.08556	40.9
133.06584	1.2
133.10115	39.2
141.06964	2.7
142.07764	6.2
143.08551	44.3
143.12439	0.7
144.05667	1.8
144.09346	8.4
145.06485	5.6
145.10109	30.5
146.07225	1.3
147.04488	0.7
147.07979	1.3
147.11615	1.1
153.06966	2.4
153.39664	0.8
155.08531	4.3
156.09273	2.5
157.06456	1.8
157.10114	7.1
158.07256	3.3
158.10901	44.4
159.08038	13.6
159.11699	14.6
160.08800	1.5
165.35306	0.8
168.09343	6.1
171.08032	12.4
171.11659	3.8
172.08813	12.0
173.09648	12.9
173.13248	100.0
174.13608	2.2
177.97922	0.8
183.11696	6.8
185.09697	1.6
186.10387	42.2
187.10640	1.0
201.05455	1.6
201.09082	3.0
201.12730	84.8
201.16254	2.2
202.13033	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	201.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.1
55.05490	9.5
55.35226	2.1
56.93069	2.5
57.03419	5.8
59.04974	3.1
67.05496	24.2
69.03422	4.5
69.07044	6.2
70.06578	2.6
71.04970	3.3
71.10699	3.1
71.11073	7.4
73.02898	3.7
74.79779	2.3
76.74445	2.3
79.05472	5.8
81.03400	2.5
81.07044	14.1
83.05016	3.8
83.08672	2.5
85.02883	6.8
88.27295	2.0
91.05468	52.5
93.07030	32.1
95.04939	5.5
95.08601	41.5
99.04427	2.5
101.02349	11.9
101.06000	2.9
102.04668	5.1
103.05439	2.5
105.07030	22.7
107.08548	5.9
109.06461	3.4
109.10133	21.3
111.04477	3.1
115.05457	15.6
117.07008	17.3
118.96748	14.9
119.08566	100.0
121.10127	2.9
123.04405	2.5
123.08061	3.8
127.03847	5.8
128.06200	30.8
129.06976	9.6
130.04128	3.6
130.07750	3.1
131.08559	32.7
133.10190	2.9
133.99094	3.5
136.95369	2.4
137.06035	2.9
137.09598	77.1
141.01874	2.5
141.07019	5.8
142.07764	10.6
143.08553	63.4
144.09291	3.6
145.06490	20.5
145.10109	26.6
147.06372	2.9
147.08006	9.9
147.11595	3.4
153.06926	4.6
154.96461	6.4
155.07132	5.1
155.08548	14.1
155.10609	5.0
157.10101	10.3
158.03595	14.3
158.07297	5.0
158.10933	4.4
159.08086	18.0
159.11676	29.8
162.03128	3.8
165.09097	10.3
168.09311	10.5
171.42418	2.9
173.05951	26.9
173.09648	8.3
173.13257	16.2
177.98047	14.0
183.08047	3.7
183.11636	17.4
186.10416	5.9
201.05478	39.8
201.09096	12.6
201.11142	22.9
201.12759	59.9
201.16289	15.4
202.08809	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	201.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
54.59287	1.2
55.01871	7.4
55.05502	4.7
56.41243	1.4
57.03423	2.1
65.03921	1.4
67.05497	26.2
69.03418	2.8
71.04978	3.8
71.27336	3.2
74.70971	1.3
79.05491	5.8
81.07049	11.1
83.05000	1.9
83.08614	1.2
85.02902	3.1
91.05476	56.7
93.07040	32.0
95.04964	4.2
95.08605	46.7
95.09225	2.3
98.06023	1.5
101.02369	10.9
101.06026	1.6
103.05470	1.6
105.07038	10.6
107.08617	1.9
109.06478	2.8
109.10155	28.6
111.04392	2.2
115.05460	6.0
117.07030	8.7
118.96769	4.7
119.08574	100.0
120.08928	2.1
121.10165	1.9
123.08093	3.2
127.03906	5.2
128.06226	16.2
129.05495	1.8
129.07047	7.8
130.07780	1.7
131.08566	18.4
131.83092	1.5
133.10110	2.5
133.99126	2.1
137.05989	1.3
137.09612	79.3
141.06992	2.5
141.43127	1.3
142.07764	6.8
143.08556	35.5
144.09332	2.6
145.06464	6.7
145.10091	14.7
147.08035	12.7
153.06989	2.8
154.96461	2.6
155.07152	1.3
155.08557	5.7
155.10670	4.9
157.10120	5.9
158.10788	1.4
159.08038	7.5
159.11688	14.9
165.09123	7.1
168.09329	8.1
173.06046	2.2
173.09621	4.7
173.13214	6.9
177.98087	4.8
183.10182	2.8
183.11694	8.3
186.10373	2.7
201.05475	5.3
201.09065	5.6
201.11182	19.7
201.12788	30.1
201.16380	9.6
217.07938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01838	1.9
55.05512	4.4
56.04993	2.8
56.96311	3.3
56.96560	42.4
57.03414	6.4
57.07057	2.9
58.36530	1.9
59.46545	2.1
61.02907	4.8
63.60017	1.9
68.05046	2.1
69.03416	8.6
69.07068	2.0
70.06580	3.3
70.82309	4.8
71.05007	2.8
73.02906	13.4
74.09708	3.0
79.01820	5.2
81.03394	3.0
82.06573	3.2
83.07349	3.2
84.04496	3.5
84.08125	5.0
84.96027	3.6
85.02895	9.9
97.02879	9.6
98.06067	2.3
98.97572	100.0
100.02449	3.7
100.07612	4.1
103.00605	3.4
104.01218	2.4
110.01281	5.5
110.97536	5.7
111.01958	2.3
116.98611	97.7
118.03523	3.3
119.01878	22.2
120.02009	3.4
121.01667	8.8
127.03917	4.1
128.02309	5.5
128.98595	10.7
131.01906	11.2
134.99649	75.6
137.02866	7.8
140.00201	5.3
140.02284	2.3
143.03372	5.5
145.01584	8.0
146.02242	2.5
146.99632	9.4
149.02939	10.9
152.02275	2.2
153.00668	8.7
153.01793	39.8
153.02895	2.7
154.02129	7.9
154.03461	9.3
154.04826	2.3
154.08632	3.6
154.12233	16.9
155.02771	2.8
158.01236	7.0
158.99651	7.7
161.02881	8.2
162.02983	3.4
163.02617	17.2
165.07486	2.3
170.99646	3.1
172.02948	2.5
172.04517	9.7
173.02863	3.4
176.02274	3.6
177.00661	17.3
177.02316	6.3
181.67859	2.4
183.08469	7.3
188.67383	2.4
189.00714	7.1
190.05571	3.9
191.03856	4.1
195.01746	3.6
195.03384	3.4
199.18927	14.2
200.02396	2.2
200.03954	10.2
200.12720	4.9
200.19112	4.3
201.00720	4.4
201.02417	4.0
218.05109	9.5
219.01743	5.1
219.03580	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	18.4
70.42207	2.8
70.42588	2.7
71.95258	3.9
71.95639	1.9
98.97578	100.0
101.00861	2.9
110.07104	1.5
116.98615	91.0
119.01916	6.7
130.03444	1.7
130.17200	1.7
131.01834	1.7
134.99648	54.9
137.02971	3.4
140.00169	4.0
142.03537	1.8
153.00720	11.4
158.01201	4.1
175.98660	4.2
176.02295	2.7
176.04041	2.7
177.00873	15.5
195.01837	3.6
199.18915	2.2
203.97049	2.3
212.92134	1.9
219.01927	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	199.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.05253	1.3
55.05504	20.7
56.05820	1.2
57.03446	1.7
57.07066	13.1
62.15656	0.7
67.05502	4.0
69.03426	1.5
69.07068	5.0
69.83988	2.4
69.84403	2.5
70.07378	0.8
71.16136	0.7
72.04498	1.2
72.98441	0.6
74.09714	8.4
79.05476	2.6
81.07038	6.1
83.04974	9.7
83.08595	2.3
84.08942	1.2
85.06534	5.3
91.05455	3.5
93.07039	12.0
95.04959	1.7
95.08598	11.5
97.06520	6.0
100.07600	2.4
105.07013	5.3
107.04956	0.7
107.08572	17.1
108.08929	0.8
109.06499	5.0
109.10121	2.0
111.04427	100.0
111.08044	3.4
112.04767	1.0
112.81604	0.8
113.05987	2.1
116.97212	4.9
116.98546	1.1
117.07019	1.6
119.08572	2.1
119.13345	0.7
121.06481	2.6
121.10122	3.0
122.07272	2.1
123.08064	1.5
125.05974	26.1
127.07563	4.3
128.06221	2.4
129.06967	1.2
130.07724	1.0
131.99568	1.2
135.08040	15.7
135.09084	0.8
135.11668	18.5
135.12672	1.1
137.13310	1.7
137.67863	0.8
139.07518	3.5
140.04645	0.9
142.07755	2.2
143.08560	4.5
145.10110	15.4
152.96922	1.0
153.12717	3.8
156.09349	1.3
157.10103	4.3
163.11168	17.1
164.11592	0.7
171.08096	1.0
171.11745	1.2
175.98460	4.1
181.04941	1.1
181.12209	24.3
182.08105	0.8
184.05281	1.0
199.07550	2.2
199.11127	2.3
199.14870	3.2
199.18875	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	197.1535
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
52.85418	2.1
53.03934	3.0
55.01865	4.2
55.05510	26.2
57.03422	5.8
57.07061	8.5
67.05500	40.5
68.23203	2.2
69.03437	2.1
69.07067	28.1
70.90759	4.2
70.91135	3.9
70.95860	11.4
71.04989	17.4
72.93781	5.6
73.25999	1.8
79.05492	22.4
81.07051	83.3
83.04974	4.7
83.08613	24.5
85.06544	17.1
88.96946	3.4
91.05472	30.6
93.07036	32.7
95.04977	4.5
95.08601	100.0
96.04479	2.6
97.06531	31.8
97.10162	8.7
99.08058	5.9
100.54649	2.0
105.07019	28.0
107.08581	19.7
109.06525	3.0
109.10146	10.7
111.08051	7.1
111.18311	2.0
111.98457	8.3
119.08569	45.4
120.25623	2.1
121.09375	2.3
121.10110	11.2
123.08045	7.7
129.99484	4.9
132.95876	14.8
133.10104	35.1
135.11674	24.2
137.05969	2.7
137.09618	3.0
137.13245	18.2
141.06973	2.9
150.96872	26.4
151.03864	4.0
151.11172	3.0
155.08530	2.3
155.97401	9.5
161.09572	3.6
161.13232	64.0
161.14545	3.6
173.98451	18.2
179.07057	2.6
179.10703	6.1
179.14284	35.1
196.99988	2.7
197.05881	3.4
197.09906	2.2
197.11719	5.3
197.13538	2.9
197.15363	8.5
197.17024	2.4
198.18515	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	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03930	2.8
55.01850	5.7
55.05292	1.7
55.05511	25.3
55.93503	1.7
57.07069	2.7
59.04976	4.1
67.05511	8.4
68.33261	1.6
68.99769	4.0
69.03409	5.7
69.07052	7.2
70.95488	2.1
70.95862	29.8
71.01302	1.7
72.93787	13.0
75.11101	1.4
79.05495	11.4
81.03404	1.8
81.07047	22.7
83.04954	2.1
83.08596	3.8
85.06527	1.8
88.96871	4.3
90.94801	3.6
91.05479	20.6
93.07039	24.8
95.04949	13.0
95.08599	6.0
96.04488	1.9
97.06516	7.0
99.04459	9.4
100.07636	1.9
105.03391	1.9
105.07021	30.9
107.04924	1.8
107.08593	65.0
109.06501	15.3
109.10149	8.3
111.08083	3.1
111.98483	21.6
113.08222	7.0
113.96389	2.5
118.62266	1.6
119.08566	8.5
121.06486	7.1
121.07347	1.7
123.04441	4.4
123.08046	2.8
123.11692	3.8
125.05989	79.2
125.09590	1.6
127.03912	28.4
129.99509	15.8
131.08543	3.7
132.95822	30.2
133.06528	2.8
133.10127	68.3
134.10440	2.7
135.11694	51.2
137.05969	63.6
137.08202	2.9
137.09593	5.9
138.06602	2.4
139.07555	1.8
141.06801	1.8
143.08517	3.8
150.96880	73.9
151.03902	5.2
151.11208	7.8
152.10815	1.8
153.09056	2.0
155.09232	4.8
155.97421	21.9
161.09608	42.3
161.10881	3.2
168.97997	2.3
173.98494	44.9
179.10664	100.0
197.00169	3.2
197.10249	2.7
197.11731	65.7
197.13365	2.6
198.18524	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	(+)-Loliolide
Peak:m/z	Relative Intensity
51.96647	0.9
53.03932	2.1
53.52612	0.9
55.01874	8.0
55.05287	1.3
55.05510	18.7
57.07055	2.3
67.05481	3.6
69.03423	3.2
69.07055	3.0
70.67140	3.0
70.95861	18.2
71.04970	2.2
72.93781	11.4
79.05485	5.0
79.49989	0.9
79.93516	1.0
81.07053	23.8
83.08620	2.3
86.82825	1.0
88.96882	4.4
90.94835	1.8
91.05463	5.7
93.07049	7.9
95.04965	2.5
95.08617	2.3
96.31744	1.0
97.06528	10.0
97.10137	1.1
99.04441	11.9
105.03368	2.6
105.07021	9.3
106.47828	1.1
107.04950	1.3
107.08593	15.9
109.06511	11.0
109.10155	6.8
111.98483	15.1
112.78374	1.1
113.08253	4.1
113.96410	1.6
119.04934	1.2
119.08578	3.7
121.06509	5.4
125.05984	81.2
126.06350	1.4
127.03912	30.0
128.06194	1.6
129.99512	9.7
132.95822	22.6
133.10101	18.0
134.99509	1.3
135.11665	8.0
137.05971	100.0
137.09604	9.7
138.06372	1.5
143.08527	5.0
150.96880	41.9
151.03903	2.3
151.07500	1.4
151.11148	3.4
154.60506	1.1
155.09271	2.1
155.97401	13.8
161.09627	14.1
173.98474	26.3
179.09280	2.0
179.10660	26.9
180.11189	1.2
183.79927	1.2
197.00087	1.9
197.10034	2.1
197.11722	19.0
197.13365	1.3
198.18538	29.9
202.33746	1.0
205.26482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.95481	0.5
53.94197	0.5
55.01859	1.1
55.05516	2.0
55.76414	0.5
57.07074	0.9
59.05000	0.9
61.02926	0.5
65.03941	1.1
67.05509	2.7
69.03423	0.7
69.07056	1.0
69.75106	3.9
70.95856	4.6
72.93787	3.0
74.68518	0.5
79.05483	3.8
81.07048	3.7
83.04970	0.7
83.08611	1.0
86.06058	0.8
88.96893	1.4
90.94804	0.9
91.05471	13.0
93.07037	8.5
95.04950	2.0
95.06096	0.9
95.08601	1.2
97.06522	1.0
97.10166	0.6
97.33909	0.5
98.21473	0.5
105.07023	17.1
106.07327	0.6
107.08583	100.0
108.08939	2.3
109.06506	4.7
109.10159	5.8
111.08044	0.9
111.98457	5.7
113.05985	0.5
113.08257	2.3
113.96392	0.6
114.05525	0.9
115.05406	1.0
119.04956	0.7
119.06097	1.1
119.08566	4.8
121.06469	2.5
121.10125	2.0
123.08081	1.0
123.11713	1.4
123.97102	0.5
125.06010	2.6
127.03943	1.3
129.99529	3.0
131.08551	1.9
131.97476	0.6
132.95815	7.0
133.10117	56.1
134.10460	1.9
135.08099	0.6
135.11681	12.6
137.05997	5.5
137.09604	3.1
143.08609	0.6
146.07254	1.8
149.09628	0.7
150.96875	15.6
151.03900	0.9
151.11182	5.0
155.09335	0.9
155.97412	6.5
161.08252	0.9
161.09610	15.8
162.09918	0.6
163.00288	0.5
167.10713	1.0
168.97934	0.5
173.98485	11.5
179.10651	23.9
180.10957	0.6
195.89615	0.5
197.00090	1.0
197.11717	48.6
198.12062	1.5
198.16759	1.1
198.18523	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	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.53490	1.0
55.01848	1.5
55.05511	6.8
57.07057	3.7
59.04984	3.1
65.03913	1.3
67.05490	5.9
69.03426	2.5
69.07056	3.5
70.17661	3.4
70.18066	2.6
70.95872	7.5
70.96190	1.3
71.08614	1.6
72.93799	5.3
73.02902	1.4
78.26375	1.1
79.05488	7.4
81.07042	8.8
83.08605	2.2
85.06492	1.3
88.96882	1.7
91.05471	19.4
93.07042	26.7
95.04959	10.4
95.08591	4.0
97.06475	1.2
97.10149	1.3
97.94686	1.1
105.03353	1.7
105.07023	33.2
105.07721	2.1
107.08588	80.7
108.08900	1.8
109.06454	6.8
109.10127	6.2
111.04434	2.3
111.08044	1.5
111.98473	5.7
113.08252	6.6
114.06721	1.0
117.72454	1.1
119.04927	2.4
119.08585	7.5
121.06463	6.7
121.10148	2.3
123.04399	2.8
123.11684	5.1
127.03912	1.2
129.99475	4.6
131.08594	2.4
132.95819	9.8
133.10123	76.3
134.10457	1.7
135.08005	1.9
135.11682	59.3
136.12048	1.4
137.05954	5.1
137.08215	2.4
137.09608	5.8
141.05383	1.2
143.08510	1.3
146.07156	1.9
150.96877	23.3
151.03918	2.6
151.07436	1.3
151.11177	5.7
152.10628	2.1
154.06117	1.2
155.09230	2.9
155.97395	6.8
161.09613	38.7
168.97948	2.1
169.10071	1.1
170.15440	1.9
173.98473	14.5
179.10660	100.0
180.11011	3.5
180.68935	1.1
197.05914	1.6
197.11719	70.8
198.18523	46.1
198.20355	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	196.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59161	0.9
54.93825	2.8
56.96562	16.1
69.96170	18.2
70.05093	5.6
71.94090	6.7
97.76555	1.0
98.97578	1.8
110.63225	1.1
110.98796	2.1
113.95076	1.9
116.98585	1.7
118.83228	1.0
118.92146	1.5
119.01939	2.4
131.96138	66.9
136.92206	1.4
136.93126	4.6
145.03316	1.1
149.97192	100.0
154.93201	2.0
154.94180	8.1
154.97728	13.8
167.98230	6.4
172.94211	8.0
172.95277	9.7
172.98781	26.9
173.02950	3.1
174.06128	1.5
190.95059	9.2
191.03981	1.1
196.00386	1.9
217.45334	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01865	10.1
55.05247	2.3
55.05507	34.4
57.03435	1.9
57.07063	8.0
59.04999	2.6
59.49770	1.0
65.03947	2.0
67.05499	13.3
69.03425	16.5
69.07063	78.8
69.96182	6.3
70.07398	1.3
71.04991	10.9
71.08627	3.0
71.69880	1.6
71.94078	1.7
79.05486	16.0
81.03415	1.3
81.07051	51.0
83.04974	5.2
83.08614	23.2
85.06537	11.0
85.10179	2.1
89.03900	1.8
89.05990	2.5
89.95196	1.2
91.05476	7.0
93.07040	33.0
95.04970	2.3
95.08602	76.0
97.06521	3.5
97.10154	17.8
98.06042	2.0
99.08087	87.1
100.08434	1.3
103.05479	2.2
105.07001	6.1
107.04937	7.4
107.08586	60.4
107.21568	1.1
109.06515	1.8
109.10145	20.1
111.04474	2.0
111.08069	37.1
111.08838	1.9
111.11707	6.5
113.09657	8.5
117.03384	4.1
119.08578	1.5
121.06576	2.3
121.10139	85.0
123.08067	2.1
123.11703	8.5
124.91554	1.2
125.09620	47.0
125.13284	1.4
127.11172	1.9
130.96300	2.3
131.96130	14.9
135.04425	2.2
135.08052	3.6
135.11685	23.5
136.12050	1.7
137.13242	29.3
139.11125	8.2
145.02850	5.0
148.97382	3.6
149.05974	2.7
149.09581	3.1
149.13284	7.6
149.97192	32.0
154.97725	8.1
163.04007	2.7
163.07655	2.2
165.06999	6.2
167.07141	1.3
167.08511	1.4
167.98277	3.9
171.98985	2.2
172.98796	12.8
177.05440	10.3
177.09113	1.8
177.16377	100.0
178.16673	1.9
180.09306	5.6
183.68636	1.3
195.02904	4.3
195.06520	3.4
195.08105	2.0
195.10204	1.7
195.11716	9.2
195.13313	1.2
195.17444	30.8
196.00435	1.4
196.16873	2.0
203.89922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.38317	1.5
53.03936	2.6
55.01875	8.1
55.05502	28.8
57.03442	1.7
57.07066	7.5
58.32320	1.3
59.04988	1.7
65.03924	2.1
67.05505	13.2
69.03423	21.1
69.07058	62.9
69.66348	11.4
71.04980	9.1
71.08578	2.6
76.84035	1.3
79.05480	21.4
81.07047	49.8
81.97758	1.3
83.04971	3.3
83.08609	26.3
84.00641	1.3
85.06541	11.2
89.03889	2.6
90.33607	1.4
91.05462	9.2
93.07033	33.2
95.04965	4.5
95.08598	76.6
97.06522	2.9
97.10165	13.7
99.08082	68.1
103.05450	9.8
105.07006	10.6
107.04945	69.9
107.08581	60.0
108.05276	1.9
109.10146	18.7
111.08073	24.5
111.11684	6.8
113.09625	9.3
115.05428	5.8
117.03343	3.8
120.05734	3.5
121.06483	1.6
121.10128	85.6
123.11688	6.5
125.09612	44.9
127.11149	2.0
131.04904	2.8
131.96114	2.2
135.08018	18.1
135.11697	19.0
137.05936	1.8
137.13240	27.7
139.03900	1.6
139.11174	4.0
140.08038	1.4
145.02844	5.9
145.07623	2.7
146.59750	1.4
149.05998	2.7
149.13242	7.4
149.97203	4.2
154.06197	1.6
163.03899	2.9
163.07527	35.6
163.08900	2.0
165.07027	2.4
167.07037	12.8
172.98799	2.7
177.05450	8.4
177.16365	100.0
180.07828	3.6
195.02817	3.4
195.10168	13.1
195.11688	1.7
195.17424	31.6
205.92540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03938	5.9
55.01874	4.4
55.05507	15.4
57.03430	4.0
57.07079	1.2
60.95604	1.1
65.03939	3.8
67.05501	57.5
69.03435	3.0
69.07064	15.2
71.01360	3.5
71.04984	7.1
71.32892	3.0
79.05491	37.4
81.03398	9.5
81.07051	100.0
82.07368	1.5
83.01324	1.6
83.04967	13.1
83.08627	9.7
85.06529	4.7
89.03916	3.2
89.06033	3.5
91.05478	26.7
93.07037	60.8
94.07406	2.3
95.04967	7.5
95.08599	45.1
97.06519	15.6
97.10165	1.5
99.08070	3.2
103.05473	1.7
105.07014	12.0
107.04945	7.4
107.08582	25.7
109.06487	8.3
109.10178	4.1
109.98972	1.2
111.04430	2.3
111.08076	8.9
113.09664	2.3
115.93610	1.3
117.03357	3.2
117.07002	11.0
119.08586	3.6
121.02882	1.5
121.06503	10.3
121.10136	11.4
123.08097	1.9
125.05989	2.7
125.09673	1.9
127.07559	3.1
129.07024	1.6
131.08534	11.6
131.96132	4.3
133.10127	16.7
135.04405	4.8
135.08037	10.3
135.11687	34.7
137.05984	1.3
139.03889	1.5
139.07584	1.9
145.02847	8.3
148.97365	2.1
149.02390	1.3
149.05977	6.4
149.09647	4.2
149.13240	20.5
149.14331	2.0
149.97169	7.2
151.11217	2.6
152.06137	2.4
153.05466	2.6
153.09088	1.7
159.11697	20.0
163.03912	5.6
163.07565	3.0
165.06982	11.4
167.08591	3.2
171.76677	1.4
171.99020	1.2
172.98859	3.9
173.52213	1.7
177.05478	12.5
177.09070	1.8
177.12755	15.0
177.16406	1.5
180.09309	7.7
190.03946	1.3
195.01160	2.0
195.02867	11.3
195.06534	11.2
195.08203	3.2
195.10110	2.8
195.11737	12.7
195.13818	16.2
195.15688	4.3
196.09694	1.7
196.17033	2.9
213.07610	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03931	1.2
55.01866	2.2
55.05505	5.5
57.07064	2.7
59.04994	1.3
62.09997	0.9
67.05492	5.2
69.07060	5.4
73.49473	0.9
79.05480	6.9
81.07053	8.0
83.04961	1.3
83.21821	0.8
85.21496	0.9
89.06020	2.7
91.05478	7.0
93.07042	28.8
95.04988	1.2
95.08605	13.8
97.06528	2.2
101.06016	3.4
103.77699	1.0
105.07050	5.2
107.04980	1.7
107.08588	42.8
108.08953	1.2
109.06512	2.9
109.10136	2.2
117.03439	1.1
117.07012	1.0
119.08560	6.8
121.06556	1.2
121.10138	11.3
127.07520	1.4
131.08578	1.0
133.10121	10.9
135.08076	4.9
135.11684	100.0
136.12047	1.7
139.07556	1.5
145.02855	1.6
149.13246	6.7
150.21895	1.0
153.00450	0.9
158.53011	1.0
159.11729	6.9
165.06995	2.4
167.03380	1.1
167.08534	1.3
171.98936	0.9
177.05455	2.4
177.12733	18.5
177.16299	1.2
180.09383	1.9
195.00743	0.9
195.02849	1.6
195.06546	3.4
195.11755	3.5
195.13814	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03947	0.5
63.02374	0.7
65.03915	0.5
67.40892	0.4
68.96323	0.8
69.07034	0.5
69.75105	0.8
69.75516	2.1
78.04699	1.3
79.05486	1.4
81.03382	0.5
81.07056	1.1
83.04967	0.5
83.61957	0.4
89.03909	27.2
91.05471	3.3
93.03390	0.5
93.07021	1.1
95.04955	0.8
95.08568	0.7
98.20741	0.5
103.05458	1.3
105.06966	0.4
106.04162	1.7
107.04927	2.2
107.08598	0.9
109.06547	0.8
111.04432	1.3
117.03372	50.5
118.03712	0.8
121.06490	1.7
124.05175	0.8
125.05965	1.4
125.75404	0.4
130.96298	0.8
131.96103	0.7
134.03635	9.0
135.04413	9.7
135.08034	0.6
135.11641	0.6
145.02835	89.0
146.03186	1.7
148.97345	1.4
149.05968	22.2
149.97238	1.5
150.06476	0.4
153.05443	1.2
153.97861	0.6
162.03142	2.0
162.65741	0.4
163.03893	10.4
165.06984	1.7
167.08499	0.5
171.98904	0.7
172.98889	0.5
177.05460	100.0
178.05785	2.7
179.08505	0.5
180.09375	1.3
186.05446	2.5
195.02895	1.8
195.06477	1.6
195.08333	0.5
195.11655	2.7
195.13748	0.4
195.15666	0.5
205.50562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03943	1.6
55.01858	1.5
55.05493	1.6
56.05013	0.9
57.07045	0.8
63.02354	1.3
65.03942	3.4
67.05480	2.0
68.96309	2.6
69.03389	0.8
69.07067	0.8
70.83945	1.2
70.84261	1.2
70.94229	1.7
71.01340	0.9
71.04980	1.7
76.48698	0.6
77.03903	0.9
78.04677	1.3
79.05473	5.1
80.17451	0.7
81.03383	0.8
81.07033	4.3
83.04984	1.1
83.06088	1.7
84.04472	1.0
84.08164	1.1
85.02897	0.8
89.03908	30.0
89.06023	3.3
90.04231	1.0
91.05453	5.6
93.03400	1.2
93.07034	3.6
95.04948	3.2
95.06071	1.2
95.08580	2.5
97.06519	1.3
97.07661	1.3
103.05448	3.4
105.03384	1.0
105.06990	3.0
106.04162	1.6
107.04948	7.1
107.06050	0.9
107.08575	3.1
109.02883	1.4
109.06475	1.4
109.07597	1.1
109.98940	2.6
110.07156	1.4
111.04430	4.7
111.05557	1.2
111.08044	1.1
111.09220	1.4
117.03366	50.9
119.04923	1.0
120.05671	0.8
121.02833	2.3
121.06511	4.2
121.10143	3.6
123.04388	0.9
123.07999	0.7
124.05166	0.7
124.08699	0.7
125.05971	2.7
125.09589	0.9
127.99982	1.3
130.96289	2.4
131.04962	0.8
131.08571	1.2
131.96205	0.7
133.02811	2.4
133.10179	0.8
134.03625	10.6
135.04405	13.6
135.08035	2.6
135.11635	2.1
136.04907	1.0
136.08640	0.8
137.05910	1.9
137.06995	0.7
138.06613	1.1
139.03906	4.5
139.04910	1.2
145.02829	89.8
146.03136	2.1
148.97343	8.8
149.02293	1.6
149.05966	29.8
149.08493	0.9
149.09624	3.2
149.97163	2.5
151.03839	0.8
152.11838	0.8
153.05450	5.2
153.97867	3.0
154.06120	1.2
159.04393	1.1
159.11577	1.0
162.03131	3.2
163.03894	10.6
163.07578	1.7
165.06982	6.3
167.03397	1.7
167.07063	1.3
167.08572	2.2
171.98952	4.6
172.98874	1.1
176.28674	0.9
177.05449	100.0
177.08952	2.2
177.16336	1.4
178.05795	3.1
179.08511	1.4
180.09346	7.0
180.88782	0.9
186.05434	3.7
195.00998	1.2
195.02876	13.0
195.06648	5.7
195.08327	2.9
195.10107	2.5
195.11578	8.7
195.15775	1.7
196.05943	0.7
196.13321	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.43806	0.4
53.00317	0.5
53.03947	0.8
55.01871	1.0
55.05502	1.4
56.05030	0.5
57.03426	0.9
57.07065	0.7
59.14807	0.5
63.02359	1.2
65.03934	1.7
67.05514	1.1
68.05023	0.8
68.96314	1.2
68.99785	0.5
69.03420	0.7
69.07069	0.9
70.06596	1.1
70.94260	0.7
71.04990	0.9
71.28217	1.0
78.04708	1.2
78.84537	0.4
79.05478	3.0
80.04995	0.5
81.03412	1.5
81.04505	0.7
81.07034	2.6
82.06622	0.4
83.04965	0.8
83.06097	0.8
84.08143	0.7
85.02895	2.0
86.97390	1.0
89.01773	0.5
89.03911	27.3
89.06013	1.5
91.05465	4.3
93.01254	0.5
93.03402	0.6
93.07030	3.6
95.04969	2.5
95.08585	1.8
96.05600	0.5
97.02895	0.8
97.06509	1.0
99.05531	0.5
103.05460	2.0
105.03392	0.5
105.07037	1.6
106.04143	2.0
107.04955	4.8
107.08618	2.4
108.05585	0.8
109.02872	0.7
109.06475	0.9
109.07627	0.7
109.10172	0.5
109.98940	1.1
110.07182	0.6
111.04459	2.2
111.05564	1.1
117.03368	47.8
117.06977	0.6
118.03704	1.0
119.04932	1.0
121.02856	1.0
121.06503	3.0
121.10129	2.0
123.04480	0.7
123.05505	0.6
124.05165	0.7
125.05988	2.5
125.07160	0.6
127.99952	0.8
130.96291	1.2
131.04926	0.5
131.08575	0.7
133.02867	0.5
133.10095	0.8
134.03629	7.6
135.04413	10.0
135.08043	1.9
135.09039	0.5
135.11684	0.9
136.05042	0.8
137.05940	0.5
138.06676	1.1
139.03877	1.1
139.05000	0.9
145.02834	82.4
146.03198	1.7
148.97342	2.9
149.02304	0.6
149.05969	23.9
149.09576	1.9
149.97218	1.6
150.06473	0.7
151.03821	0.5
153.01814	1.6
153.05472	3.5
153.97891	1.0
158.05988	0.9
162.03116	2.4
163.03883	10.1
163.07539	1.1
165.06969	5.2
167.03313	1.0
167.07066	1.0
167.08537	1.2
171.02809	1.0
171.98938	2.4
172.98845	0.8
177.05455	100.0
177.08937	1.9
177.12723	0.9
177.16377	0.7
178.05971	2.4
179.08527	0.4
180.09319	3.4
186.05489	4.6
195.00932	0.5
195.02896	6.3
195.06653	2.5
195.08525	1.7
195.10167	1.0
195.11641	4.8
195.13748	0.8
195.15695	1.1
196.05959	0.5
196.13321	2.3
204.34192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
50.37969	0.6
53.03936	3.6
55.01865	1.9
55.05496	2.2
57.03405	0.5
65.03945	1.0
67.01861	2.7
67.05492	2.5
68.99780	4.3
69.03429	1.6
69.07070	1.6
69.37163	5.1
69.45385	0.5
71.04990	0.7
72.74664	0.5
79.05486	19.6
81.03400	1.0
81.07049	100.0
82.07387	1.9
83.01334	25.5
83.04977	8.1
83.08647	0.8
89.03922	1.0
89.06026	2.2
90.07004	0.5
91.05473	3.3
93.03403	1.1
93.07029	6.8
95.04965	3.6
95.08549	1.1
96.05732	1.0
97.02883	1.3
97.06507	3.8
99.08067	4.2
103.05455	1.0
105.03342	0.5
105.04468	0.9
105.07016	1.1
107.04948	3.2
107.08583	1.3
109.02847	0.7
109.06510	21.8
111.04433	6.0
111.08099	0.9
117.03401	0.6
121.06520	3.7
121.10120	1.2
123.04425	1.5
123.08080	0.6
124.05208	2.9
125.02341	0.9
125.05983	14.9
127.07542	39.7
127.46857	0.5
128.07820	0.5
135.04427	2.9
135.11676	1.5
139.03841	0.8
139.07506	1.0
143.03429	0.7
145.02837	2.7
148.97357	0.6
149.05971	16.3
149.97162	0.7
150.31018	0.6
151.03867	1.8
152.04671	17.4
153.05470	12.6
163.03920	1.9
165.06992	3.8
167.03378	3.2
167.07045	6.0
167.08449	0.7
169.05017	1.2
177.05466	13.9
177.07028	0.9
177.08978	0.8
180.09369	2.5
195.02936	2.7
195.06516	72.1
195.11551	3.9
195.15620	0.8
196.06886	2.0
198.05293	1.0
213.07559	26.3
214.07892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	ferulic acid
Peak:m/z	Relative Intensity
53.03959	1.3
55.01872	1.6
55.05512	1.9
57.03445	0.6
57.07072	1.2
58.84423	0.7
63.02374	0.7
65.03946	1.3
67.05505	2.3
68.96342	1.0
69.03426	0.9
69.07068	3.0
69.75163	0.7
69.96191	0.8
70.06618	0.6
70.83786	1.5
70.94309	0.7
71.04993	1.3
72.36994	0.6
75.39942	0.6
78.04729	1.3
79.05469	4.4
81.03423	0.7
81.07043	5.8
83.04999	1.4
83.08601	1.1
85.02923	0.8
85.06554	0.7
89.03915	24.8
89.06044	1.9
91.05487	4.5
93.03436	0.8
93.07033	6.1
95.04971	3.4
95.08585	3.8
96.76278	0.5
97.06533	0.8
103.05470	1.9
105.07016	1.5
105.10432	0.7
106.04171	1.5
107.04938	6.2
107.08590	4.2
109.06521	0.8
109.10162	1.4
109.98952	1.3
111.04446	2.1
111.08056	1.1
111.11717	0.8
112.59715	0.6
117.03374	46.6
117.07018	0.9
118.03709	1.2
119.04995	0.8
119.06011	0.7
119.08540	1.1
121.06461	3.2
121.10151	2.0
123.08102	0.8
124.05183	0.8
125.06001	1.6
130.96332	1.7
131.08632	1.0
131.96140	2.0
133.10146	0.9
134.03635	8.8
135.04425	10.1
135.08061	2.8
135.11700	2.4
139.03906	1.1
139.07555	0.9
145.02840	81.7
146.03204	1.6
148.97360	3.8
149.02350	0.8
149.05975	24.9
149.09589	1.5
149.13185	1.1
149.97206	4.0
153.05447	2.6
153.09128	0.8
153.97958	1.0
154.97783	0.9
158.05989	1.0
162.03110	2.4
163.03896	11.1
163.07535	1.4
165.05659	1.3
165.06970	6.7
166.07724	0.6
167.03317	1.0
167.07039	1.6
167.08585	2.5
167.98184	0.7
171.98958	1.7
172.98787	1.9
177.05458	100.0
177.12744	1.1
177.16396	1.4
178.05827	2.6
179.08557	1.3
180.09311	5.4
185.04427	0.7
186.05467	3.6
195.02872	4.1
195.06470	3.5
195.08101	2.4
195.10124	1.1
195.11690	9.5
195.13692	1.2
195.15663	0.9
195.17448	2.2
196.16911	0.7
213.07588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	6-Hydroxymellein
Peak:m/z	Relative Intensity
51.24692	0.5
53.03944	2.5
53.64069	0.5
54.74792	0.5
55.01870	0.7
55.05504	2.0
62.29510	0.5
65.03944	1.5
67.01855	2.0
67.05514	1.3
68.99785	4.7
69.03411	1.2
69.07051	0.7
71.04971	0.8
75.37254	0.5
79.05028	1.2
79.05486	19.0
79.05935	1.2
79.13897	0.5
81.07050	100.0
82.07389	2.0
83.01334	18.0
83.04977	7.0
89.06017	0.7
91.05475	2.9
93.07037	7.1
95.04957	3.7
96.05769	0.9
97.06543	3.6
98.20583	1.0
99.08094	3.3
103.05466	1.0
107.04966	3.3
109.06511	24.4
111.04436	6.2
121.06462	4.1
123.04440	1.1
124.05190	3.9
125.02345	0.6
125.05981	14.4
126.06384	0.6
127.07549	43.3
135.04402	2.5
135.08040	0.6
135.11713	0.7
139.03908	0.8
139.07526	1.0
149.05971	16.0
149.97191	1.1
151.03886	1.6
151.12016	0.6
152.04665	19.7
153.05464	10.7
157.19664	0.5
160.05730	0.5
163.03929	0.9
165.07034	1.5
167.03403	4.8
167.07048	6.6
169.04962	1.0
177.05450	13.2
180.04213	1.4
180.09273	1.1
185.92007	0.5
191.35347	0.5
195.02942	2.8
195.06520	92.9
195.11597	1.4
195.17427	0.8
196.06825	2.6
198.05240	1.5
213.07565	24.0
214.07910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Meconine
Peak:m/z	Relative Intensity
53.03944	0.7
55.01880	0.6
55.05494	0.2
61.23049	0.2
65.03915	0.3
65.20407	0.2
66.04707	0.3
67.05504	1.6
68.99789	0.2
69.03416	1.0
70.85177	0.4
70.85580	0.4
75.98697	0.2
78.04708	0.4
79.05490	1.7
81.03400	0.9
81.07047	2.8
81.95352	0.2
82.04182	1.6
83.01337	4.8
83.04965	1.0
91.05474	1.1
93.07046	0.7
95.04965	2.8
95.08587	0.2
96.05738	2.8
97.02888	0.2
97.06537	0.3
98.02725	0.2
106.04161	0.2
107.04946	0.4
109.02873	0.7
109.06508	4.7
110.03644	1.0
111.04449	0.5
111.08036	0.2
121.06506	1.0
122.36835	0.2
123.04424	1.8
124.05200	16.0
125.06039	1.1
127.07536	0.4
135.04414	0.2
137.05959	1.7
139.03889	5.7
139.04976	0.3
139.07504	0.8
149.05992	0.6
151.03867	0.8
152.04663	8.1
152.05925	0.4
153.05200	0.2
163.03954	0.3
165.05482	2.3
167.03389	35.6
167.07013	1.4
168.03700	0.7
177.05463	0.3
179.03325	0.9
180.04161	14.3
181.04572	0.3
195.06512	100.0
196.06851	2.6
198.05225	7.3
199.05544	0.2
201.25613	0.2
213.07489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
53.03935	3.8
55.05503	1.4
57.03434	0.7
57.07061	0.7
65.03943	1.3
66.90106	0.5
67.01850	1.8
67.05505	1.5
68.99786	4.6
69.00761	0.4
69.03430	1.9
69.07069	1.3
70.06561	0.5
71.02455	1.1
71.04971	0.9
79.05495	19.9
81.07053	100.0
82.07368	2.2
83.01339	20.2
83.04972	5.8
85.06519	0.6
89.03917	1.0
89.06014	1.3
91.05486	3.6
93.07044	7.5
95.04971	3.1
95.08600	1.3
96.05743	0.9
97.02878	0.6
97.06525	3.0
99.08088	2.8
103.05479	0.9
105.04507	0.5
105.07023	0.7
107.04953	6.5
107.08600	1.1
109.06517	21.1
110.06847	0.5
111.04438	5.3
117.03343	0.9
121.06490	3.1
123.04427	1.3
124.05209	3.2
125.02338	0.6
125.05989	15.8
127.07550	42.1
128.07919	0.5
131.96146	0.5
135.04410	6.4
135.08058	0.9
135.11699	1.1
139.03891	1.6
139.07460	0.7
141.06967	0.4
145.02855	2.1
149.05972	17.8
149.97198	1.0
151.03879	1.3
152.04684	18.7
153.05467	13.8
153.06776	0.9
157.04930	0.7
163.03905	2.4
165.06995	5.1
167.03416	3.3
167.07034	7.1
167.08539	1.5
169.04967	0.9
177.03984	1.0
177.05472	13.8
177.16440	0.8
179.08630	1.0
180.09319	4.1
195.02962	3.0
195.06525	78.4
195.11595	6.7
195.15678	0.7
196.06853	1.8
198.05222	1.0
213.07565	27.6
214.07954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	6-Hydroxymellein
Peak:m/z	Relative Intensity
51.02377	0.3
53.03939	3.0
55.01870	0.5
55.05510	1.2
62.65445	0.3
63.58916	0.3
64.50243	0.3
65.03934	1.1
66.04716	0.6
67.01848	1.7
67.05513	1.7
68.99781	4.5
69.03413	0.9
69.07056	0.8
69.12156	0.3
70.09457	0.8
70.09869	0.7
71.01348	0.4
71.04980	0.6
73.92219	0.3
74.01585	0.3
77.03928	0.5
79.05484	20.9
80.05785	0.4
81.03442	0.5
81.07048	100.0
82.07368	1.8
83.01332	22.5
83.04970	7.2
84.01693	0.6
89.06027	0.5
91.05459	3.2
93.07036	6.6
95.04964	3.2
95.08583	0.5
96.05752	0.8
97.06522	3.3
98.20856	0.3
99.08077	2.5
103.05463	0.5
105.04465	0.5
105.07027	0.5
107.04939	1.8
109.06506	24.9
110.03693	0.4
110.06857	0.3
111.04440	6.1
121.06496	3.8
123.04430	1.1
123.08070	0.5
124.05184	2.8
125.05982	15.6
126.06323	0.3
127.07539	43.1
128.07838	0.6
135.04391	1.6
139.03902	0.5
139.07527	0.9
149.04724	0.5
149.05960	15.8
151.03874	1.6
152.04666	18.6
153.05453	12.3
154.05765	0.3
157.04973	0.6
165.07011	1.0
167.03412	2.0
167.07024	6.1
167.08444	0.3
169.04941	1.0
177.05453	12.9
178.05797	0.5
180.04181	0.5
180.09462	0.6
195.06511	82.7
195.11443	1.9
195.92169	0.3
196.06822	2.3
198.05215	0.5
213.07556	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03943	1.0
55.05273	0.9
55.05508	9.9
57.07048	2.3
59.04986	2.0
63.91185	1.0
65.03917	1.9
67.05493	9.6
69.06695	1.3
69.07059	23.7
71.04987	14.0
71.45940	1.7
79.05492	8.0
81.03407	1.2
81.07053	18.5
83.08610	2.9
85.06539	11.6
91.05480	7.0
93.07037	23.8
95.04960	33.3
95.08012	1.4
95.08601	18.7
97.06504	3.0
97.10149	7.5
99.08087	3.8
103.05453	1.1
105.07017	13.3
107.04925	1.0
107.08586	31.7
109.06508	100.0
109.10159	12.9
110.06808	1.7
111.08076	8.2
111.11701	1.7
117.06989	1.3
119.08569	25.7
121.10133	7.2
123.08068	7.4
123.11694	19.5
131.08583	1.1
133.02832	2.8
133.06497	1.3
133.10120	20.2
135.11682	28.1
137.09627	11.5
147.11662	4.1
149.02367	1.1
149.13255	8.9
151.11189	6.1
161.05948	1.6
165.05400	1.1
175.14812	34.0
178.02580	1.8
193.04959	10.0
193.08600	1.8
193.10281	1.8
193.12187	1.6
193.15871	53.0
194.15363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.4
55.05510	15.1
57.07064	5.3
65.03932	2.7
67.05502	48.3
69.03414	2.3
69.07067	19.0
71.08616	2.0
79.05487	8.3
81.03416	5.2
81.07053	100.0
81.27072	1.1
83.04951	1.3
83.08622	11.3
91.05482	7.0
93.07027	5.0
95.04958	3.1
95.08600	99.1
96.08906	1.2
97.10158	8.0
103.05470	1.9
105.07021	13.2
107.04942	2.3
107.08584	2.6
109.06530	3.5
109.10149	67.9
111.11696	2.3
115.05449	3.1
119.04967	1.3
119.08601	3.8
121.06474	1.3
121.10088	2.2
123.04417	3.6
123.08082	2.9
123.11703	45.2
133.02850	4.6
133.06508	7.2
133.10132	2.7
135.11729	3.4
137.05975	3.9
137.13255	20.1
147.04390	2.4
147.08057	1.2
147.11641	1.9
149.02361	1.4
151.03989	1.1
151.14839	1.5
161.05989	6.1
165.05495	1.4
175.11142	1.7
175.14914	2.3
176.03430	1.1
178.02594	5.5
178.07759	2.8
193.04967	18.7
193.08556	2.5
193.10170	3.7
193.12256	8.5
193.15833	4.2
193.17807	1.7
193.19484	6.8
194.15410	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	195.0649
Annotation	6-Hydroxymellein
Peak:m/z	Relative Intensity
51.02377	0.4
53.03941	2.5
54.51743	0.2
55.01875	0.5
55.05498	1.2
65.03935	1.3
65.47746	0.2
66.04717	0.6
67.01848	1.9
67.05515	1.3
68.99777	4.4
69.03410	0.6
69.07050	0.8
70.07831	0.9
70.08250	0.5
71.04974	0.8
77.03953	0.3
78.04713	0.3
79.05483	17.6
80.05803	0.4
80.52505	0.3
81.03430	0.6
81.07047	100.0
82.07377	1.6
83.01331	23.0
83.04974	6.1
83.05393	0.2
84.01666	0.3
91.05466	2.9
93.07030	7.0
95.04951	2.9
95.08631	0.3
96.05746	0.6
97.06524	3.3
99.08084	2.8
103.05469	0.4
105.04539	0.4
105.07005	0.4
106.08994	0.3
107.04915	1.8
107.08598	0.3
109.06505	21.1
110.06833	0.3
111.04431	5.7
117.03378	0.3
121.06503	2.8
123.04421	1.0
123.07997	0.2
124.05202	3.0
125.05981	15.2
126.06277	0.4
127.07538	42.7
128.07866	0.8
131.04921	0.5
135.04390	1.8
135.08134	0.3
139.03874	0.7
139.07518	0.8
145.02815	0.4
148.97311	0.3
149.05965	14.0
149.97131	0.3
150.06270	0.5
151.03906	1.5
152.04669	18.2
153.05447	11.0
157.04936	0.3
165.06995	0.5
167.03336	2.0
167.07027	6.1
169.04907	0.5
177.05449	12.9
178.05847	0.5
180.04163	0.8
180.09216	0.5
195.06508	81.4
195.11601	1.2
196.06877	2.1
198.05206	0.7
213.07556	17.1
214.07922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.25082	1.9
53.03921	2.3
55.05508	27.9
57.07061	8.9
59.04983	3.6
65.03953	2.6
67.05495	25.4
67.97675	1.7
69.03429	15.7
69.07068	22.8
71.03463	2.3
71.03784	3.5
71.04975	4.7
71.08636	1.7
75.49017	1.7
79.05484	9.5
81.06614	3.0
81.07046	39.7
83.04968	39.8
83.08619	16.9
85.06513	5.4
91.05459	9.8
93.07035	24.3
95.04948	3.1
95.08595	72.2
97.06503	5.5
97.10161	4.0
99.08034	3.1
105.07018	19.8
107.08581	52.5
109.06503	22.8
109.10143	91.9
111.08096	12.2
117.07053	2.5
119.07752	3.5
119.08571	62.9
121.10126	37.5
122.10494	2.6
123.08054	53.7
123.11688	13.4
125.09589	2.3
133.10123	51.4
135.11676	92.0
137.09608	39.4
138.10368	5.8
147.11653	4.8
149.13258	22.7
150.10326	1.9
151.11182	15.0
151.14819	11.6
160.12466	2.5
165.16362	5.4
175.13416	3.6
175.14818	46.0
193.08620	2.8
193.15857	100.0
194.16141	2.8
213.50879	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03940	1.0
55.01871	0.9
55.05508	11.7
57.03426	1.6
57.07070	5.3
57.39891	0.7
59.04993	4.3
62.38042	0.7
62.59248	0.7
65.03934	1.4
67.05499	29.4
69.03431	1.0
69.07066	8.9
71.04999	1.4
71.07124	1.4
71.08624	0.8
76.58480	0.7
79.05495	9.7
81.07048	14.5
82.73933	0.7
83.04960	3.6
83.08616	4.4
85.06537	24.6
91.05480	7.3
93.06447	1.0
93.07037	19.8
95.04968	4.5
95.08599	18.4
97.06517	0.9
99.08087	100.0
100.08459	1.4
105.07034	8.4
107.08587	21.0
109.06528	7.6
109.10151	58.8
110.10452	1.6
111.08063	1.8
119.08570	11.6
121.10134	5.6
123.08047	6.7
123.11707	7.5
125.09687	1.2
133.02834	1.6
133.06477	1.8
133.10115	15.7
135.11688	24.0
137.05946	1.4
137.09599	18.3
138.10402	1.5
147.04428	1.8
147.11661	2.6
149.13271	1.1
151.11168	8.5
161.05966	1.1
165.05498	1.1
165.09288	0.7
165.16397	3.1
175.03824	1.6
175.14821	7.7
178.02570	1.0
193.04971	6.4
193.06760	1.1
193.08603	2.0
193.15875	59.1
194.16069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03933	2.1
55.01860	2.3
55.05503	13.4
56.60988	0.7
57.03435	1.7
57.07079	5.8
59.04991	4.6
62.77855	0.6
65.03942	2.0
67.05497	31.3
69.03425	1.7
69.07058	9.1
71.04989	1.9
71.06631	1.7
71.06973	1.1
71.08623	0.8
73.30569	0.7
77.03872	0.7
77.43369	0.6
79.05489	14.4
81.03403	2.7
81.07048	18.2
81.24365	0.7
82.07394	0.8
83.04957	3.8
83.08595	3.5
85.06532	22.1
89.28931	0.8
91.05476	10.1
93.07034	24.7
95.04958	8.9
95.08596	19.2
97.06520	1.2
97.10167	1.5
99.08084	100.0
100.08430	2.4
103.05456	4.7
104.06221	1.1
105.07018	41.2
106.07341	1.6
107.04958	2.0
107.08576	18.9
109.06510	10.0
109.10143	59.9
111.08038	2.1
115.05453	6.9
117.07008	1.1
118.04132	4.2
119.04964	1.1
119.08563	13.0
121.06497	1.0
121.10126	6.0
123.08060	8.6
123.11674	7.0
125.09624	1.0
129.06969	0.9
131.04912	2.1
131.08562	1.4
132.05688	1.8
133.02832	3.5
133.06474	28.6
133.10107	17.9
134.06877	1.8
135.08034	1.0
135.11674	24.3
135.12656	1.6
137.05980	3.9
137.09608	20.4
138.10381	2.1
143.04913	0.9
146.97452	1.9
147.04373	2.2
147.08075	1.2
147.11687	5.2
149.05995	1.4
149.09610	1.2
149.13208	1.8
150.03101	1.2
151.07513	2.3
151.11171	6.8
151.14793	0.8
152.54987	0.8
157.65608	0.9
160.05125	1.2
161.05977	23.7
165.05421	2.3
165.09065	1.3
165.16400	1.8
175.03946	1.0
175.07579	1.7
175.11147	1.9
175.14809	8.3
178.02612	3.5
178.06294	1.0
178.07712	1.3
193.04950	15.7
193.06839	1.2
193.08586	23.8
193.10204	2.6
193.12196	5.9
193.15863	56.2
194.15446	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	193.1586
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.51318	1.8
53.03933	2.8
55.01880	1.8
55.05291	2.3
55.05507	27.7
57.03405	1.5
57.07055	7.4
59.04983	3.6
61.13380	1.7
64.97504	1.6
67.05499	35.6
69.03432	17.4
69.06751	2.1
69.07062	26.4
70.21640	1.6
70.25607	1.5
71.04972	4.8
71.50575	4.6
73.91079	1.6
79.05496	11.0
81.07053	42.3
83.04518	3.0
83.04971	35.9
83.08601	15.1
85.06530	6.8
87.08086	2.4
91.05471	18.5
93.07040	26.2
95.04952	4.1
95.08598	70.2
97.06513	4.8
97.10151	4.2
99.08113	2.7
105.07021	26.3
107.07841	2.3
107.08584	50.3
109.06510	21.5
109.10148	99.5
111.08049	13.4
118.07607	2.1
119.08567	65.3
121.10135	39.4
123.08069	57.7
123.11696	14.8
125.09610	4.7
131.08635	2.0
133.06506	2.4
133.10120	54.3
133.50069	1.8
135.07967	2.0
135.11685	92.1
136.12010	2.1
137.09610	42.2
138.10349	6.6
139.11234	1.8
145.10159	2.4
147.04427	5.1
147.11635	6.7
149.13229	21.2
151.11176	17.8
151.14816	15.6
161.98155	1.7
165.05429	2.4
165.16393	4.0
175.03894	5.0
175.14812	46.3
176.15135	2.7
176.21373	1.6
193.04951	6.1
193.08621	2.6
193.15868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.30436	2.3
53.03936	10.0
55.01860	7.9
55.05509	13.1
56.96548	4.1
57.03168	3.6
57.03432	62.1
57.07063	3.8
65.03930	6.0
67.05496	32.2
69.03412	10.1
69.05331	2.0
69.07056	6.5
71.04980	5.0
71.30924	4.2
78.05864	2.0
79.05081	3.3
79.05491	30.0
81.03413	37.6
81.07047	24.0
83.04967	7.8
83.08603	5.4
85.06525	7.0
91.05471	64.5
93.07032	50.2
95.04955	34.5
95.08580	18.2
97.06522	7.5
99.08083	4.3
103.05470	11.8
104.06208	2.9
105.03349	2.6
105.07022	91.4
106.07365	3.9
107.04949	8.2
107.08606	16.4
109.06521	16.9
109.10152	19.2
111.08122	4.0
115.05447	9.6
117.06994	8.3
118.04128	4.1
119.04924	8.9
119.08569	100.0
120.05253	6.8
121.06496	53.4
121.10104	8.0
122.03645	3.9
123.04399	6.7
123.08064	5.4
123.11685	3.2
129.07001	8.0
131.04893	3.0
131.08554	7.5
132.05705	2.7
133.02849	14.7
133.06473	44.1
133.10117	62.7
135.08107	11.1
135.11664	8.3
136.07523	2.5
137.05968	13.4
137.09612	36.0
142.07741	7.9
143.87413	2.3
145.06435	4.4
145.10095	2.8
146.07266	5.1
146.97424	6.9
147.04356	5.1
147.08055	20.7
147.11679	49.3
147.12865	2.7
149.02298	5.3
149.05994	4.3
149.09578	4.5
149.13266	3.4
150.03127	3.5
151.07497	5.2
151.11194	2.5
157.10121	10.4
160.08827	9.5
161.05965	30.9
165.05452	5.8
165.12759	2.7
175.03795	2.3
175.07436	2.3
175.11157	54.1
175.14807	10.9
178.02585	15.1
178.07800	3.6
193.04955	71.2
193.06758	4.0
193.08578	40.2
193.10188	6.5
193.12244	32.7
193.14066	4.9
193.15865	11.1
193.17546	3.3
194.15407	7.4
204.08714	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	8.0
55.05489	16.8
56.96552	15.9
57.03420	5.6
62.53169	4.8
65.03925	16.4
67.04140	4.7
67.05508	24.4
68.99786	7.7
69.03423	64.7
70.65446	17.9
73.26831	5.2
79.05470	8.9
81.07016	6.4
83.04969	75.1
85.02892	20.7
87.00816	11.2
91.05475	15.3
93.03396	20.6
95.04957	100.0
95.08574	8.6
97.02808	7.0
100.02473	4.9
101.05978	5.1
103.05421	5.1
105.07008	21.3
109.06504	6.6
109.10123	5.9
111.04433	84.0
119.08560	12.1
120.99783	4.8
129.01816	16.9
129.05467	71.9
133.02831	9.3
133.06450	12.3
137.05937	6.8
139.00232	9.9
139.03946	24.9
142.20816	5.1
147.06499	21.6
149.01227	5.4
157.04868	8.9
161.05956	6.8
165.09067	4.9
175.11195	6.0
178.02611	14.7
193.04950	60.9
193.10152	6.4
193.12137	9.7
193.15875	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	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03943	1.8
55.01630	0.7
55.01864	4.1
55.05498	1.1
57.07064	0.8
65.03922	0.8
67.05495	2.7
68.05046	1.0
69.03435	1.2
69.07066	1.1
70.06570	1.0
71.70557	0.7
75.37457	0.6
79.05487	15.5
81.03408	1.9
81.07053	3.0
83.04973	3.2
83.06091	0.6
83.08607	0.8
84.76646	0.6
85.02911	0.7
90.04685	0.9
91.05473	9.1
93.07042	3.1
95.04955	3.8
95.06099	1.4
95.08595	2.3
97.07638	1.0
102.04697	0.7
103.05461	15.6
105.03396	1.2
105.07023	100.0
106.07370	2.0
107.04941	2.5
107.08583	1.8
109.06507	2.4
109.07626	2.2
109.10140	2.1
111.04469	1.1
111.09225	1.2
115.04642	1.1
115.05445	21.9
118.04154	11.8
119.04935	2.2
119.08582	4.3
120.75996	0.6
121.02930	0.7
121.06462	0.6
121.10097	0.9
122.03614	1.4
122.25486	0.8
123.08074	2.3
131.04915	4.2
131.08568	1.2
132.05681	1.5
133.02855	6.4
133.06480	82.9
133.10123	3.6
134.06987	2.2
135.08034	1.4
135.11667	2.0
137.05960	5.0
137.09573	2.1
140.31224	0.6
143.04961	1.1
143.06023	6.4
146.97440	2.3
147.04457	4.0
147.08029	1.7
147.11646	2.3
148.08641	1.0
149.02347	2.0
149.05972	1.6
149.09586	0.8
150.03073	1.6
150.10226	1.2
151.03935	1.0
151.07510	1.0
151.11134	0.9
153.01823	0.9
161.05971	82.8
162.06343	2.1
165.05489	3.2
169.99054	1.0
175.03905	2.1
175.07501	1.4
175.11165	2.2
175.14842	2.2
178.02600	5.9
178.06247	0.9
178.07643	1.5
193.04958	23.6
193.06859	0.9
193.08580	12.7
193.10605	2.3
193.12265	2.8
193.14368	0.9
193.15907	3.6
193.17563	0.7
194.08093	0.9
194.15428	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03928	2.4
55.05288	2.0
55.05510	26.4
57.07072	8.7
67.05493	24.2
69.03408	2.4
69.07063	45.8
70.35725	1.6
71.09132	3.4
71.09476	2.9
77.68962	1.5
79.05487	23.5
81.03342	1.8
81.07048	38.4
83.04952	2.6
83.08614	27.6
84.54253	1.6
91.05468	17.0
93.07035	74.0
95.04952	3.0
95.08596	84.5
97.10156	17.7
103.05431	2.6
105.07010	15.4
107.08582	97.2
108.08884	2.5
109.06490	4.8
109.10144	80.2
111.11661	2.4
119.08570	4.7
121.06481	2.8
121.10134	99.7
122.10439	2.4
123.08055	3.0
123.11665	11.5
131.08537	5.9
133.10126	6.6
135.04463	2.2
135.08011	4.6
135.11678	100.0
145.10133	5.4
146.05948	2.5
147.11710	3.6
149.09621	3.8
149.13237	24.2
150.02612	2.2
160.05026	4.2
163.11165	2.6
163.14850	2.8
173.09604	3.9
173.13295	4.4
176.04756	2.2
177.07794	2.2
191.03348	2.6
191.07014	6.0
191.10617	5.1
191.14275	22.8
191.17926	79.2
192.06532	4.4
192.10144	4.2
192.18257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.44586	2.6
54.67274	2.5
55.05505	15.6
55.81975	2.6
57.07037	4.9
67.05476	12.8
69.03409	5.2
69.06714	2.8
69.07063	40.2
71.71879	3.0
79.05489	19.9
81.07066	24.1
83.04968	4.6
83.08621	15.8
91.05468	12.5
93.07040	50.9
95.04949	3.8
95.08021	5.4
95.08600	74.1
97.10153	9.5
102.17812	2.9
105.07019	9.6
107.08588	60.7
109.06481	3.4
109.10133	36.8
111.11751	2.6
119.08542	6.1
121.02796	3.3
121.06538	5.5
121.10134	78.9
122.94823	3.1
123.11683	5.3
131.04868	3.7
131.08560	4.3
131.68268	3.3
133.10129	5.3
135.08023	6.0
135.11687	68.3
145.10106	4.7
147.11627	3.7
148.07500	3.3
149.13254	18.6
160.05016	5.7
173.13269	6.4
181.97249	3.0
191.06938	6.4
191.08569	2.8
191.10666	6.6
191.14331	26.4
191.17941	100.0
192.06532	5.7
192.10103	5.8
202.46806	2.8
213.45126	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	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
54.03462	10.8
55.05497	13.8
56.05040	19.6
57.02746	3.7
58.06582	5.7
59.06106	11.5
60.05653	6.5
60.55972	3.9
67.02994	5.5
67.05494	16.0
68.05022	31.8
69.04539	12.1
69.07069	37.4
70.06581	17.0
71.06100	6.3
71.71300	5.3
79.05472	15.4
80.05003	14.5
81.04541	31.5
81.07048	24.0
81.88080	3.5
82.04034	3.9
82.04882	5.5
82.06559	13.8
83.06100	29.5
83.08600	17.0
84.05655	6.0
84.08155	6.5
84.65031	3.6
85.07630	4.7
90.90344	4.8
91.05474	12.8
91.50246	3.6
93.04520	7.9
93.07043	46.4
94.04064	6.1
94.06552	18.6
95.06081	33.0
95.08600	79.3
96.04404	4.1
96.05603	8.3
96.08157	6.9
97.07630	21.5
97.10171	9.5
98.07179	11.1
105.04524	4.6
105.07020	13.5
107.06073	17.8
107.08597	60.6
108.05601	21.2
108.08089	4.7
109.04007	4.7
109.06470	4.2
109.07629	63.3
109.10136	42.3
110.07149	51.3
110.08414	20.5
111.06734	6.3
111.08024	25.4
111.09156	18.8
112.08723	16.3
117.06979	4.0
119.06034	5.1
120.05608	5.4
121.07615	12.8
121.10142	100.0
122.07136	26.6
123.06655	8.4
123.09206	21.5
123.11697	10.1
124.08710	22.8
125.08245	7.1
133.07582	25.7
134.07111	29.7
134.08209	4.2
135.06662	10.0
135.07968	12.8
135.09171	9.9
135.11688	64.7
136.08675	21.1
137.08191	10.1
137.09320	4.7
138.10242	8.2
145.06468	3.8
146.06038	4.0
147.09186	8.0
148.08665	27.7
149.08217	43.3
149.09402	5.3
149.10756	5.6
149.13266	14.4
149.94080	5.2
150.06618	6.7
150.07649	6.3
150.09021	5.2
150.10245	49.0
151.06087	5.2
151.08649	5.5
151.09746	36.3
151.11031	19.8
152.10464	8.1
160.05069	12.5
163.09801	4.9
163.11151	5.7
164.11836	8.2
165.11380	12.6
174.05240	5.3
174.10249	18.9
175.09793	16.0
176.10559	6.2
177.07834	10.4
191.07034	6.3
191.09126	11.5
191.10420	22.9
191.12920	77.6
191.14297	12.0
191.17920	94.5
192.10371	6.4
192.12421	77.2
194.31187	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Damascenone
Peak:m/z	Relative Intensity
53.03944	1.3
55.01859	1.8
55.05508	7.6
57.03421	0.8
57.07066	3.3
59.04996	1.0
65.03925	1.8
67.05502	12.5
69.03426	12.9
69.07063	15.5
71.04977	2.3
77.03929	0.8
79.05487	13.5
81.07053	16.5
83.04983	9.0
83.08624	5.2
85.06519	2.1
91.05480	15.9
93.07040	18.3
95.04963	14.3
95.08598	22.4
97.06529	8.9
98.21451	2.9
103.05448	3.2
105.07020	22.2
106.06557	8.2
107.04948	5.2
107.08588	43.8
108.08914	1.0
109.06508	10.6
109.10164	5.9
111.08047	2.8
115.05450	1.8
116.06263	1.3
117.06966	4.4
119.08575	11.7
121.02776	0.9
121.06493	21.6
121.10139	41.2
123.08075	9.1
128.06175	0.9
129.06985	2.8
130.07733	1.9
131.04910	1.0
131.08562	17.6
133.06458	2.4
133.10124	20.1
135.08044	21.1
135.11685	11.3
137.09589	1.8
143.08556	5.0
144.09319	2.0
145.06445	1.7
145.10132	11.7
147.08046	4.0
147.11685	18.8
148.08788	7.9
149.09612	87.2
149.13216	14.2
150.10027	2.5
150.96805	1.0
155.08611	0.9
158.10889	9.4
161.09601	2.4
162.10268	0.9
163.03883	1.6
163.07552	1.5
163.11157	3.7
163.14818	12.2
171.11496	1.0
173.05888	1.3
173.09593	1.8
173.13251	35.2
176.11946	1.0
191.03380	1.8
191.06981	3.0
191.10631	3.8
191.14296	100.0
192.06555	1.2
192.14661	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.80490	0.9
53.03931	1.5
55.01853	3.0
55.05500	4.6
57.07059	1.7
59.04970	1.3
65.03935	1.8
67.05162	1.4
67.05499	25.3
69.03419	5.1
69.07070	7.2
70.02259	6.7
71.04629	1.5
71.04990	22.1
71.50308	1.0
79.05486	16.0
81.07050	12.6
83.04943	2.9
83.08593	3.5
85.02909	1.0
85.06526	7.6
85.74046	1.1
89.03910	2.0
91.05467	20.1
93.07039	13.7
95.04961	17.7
95.08606	14.6
97.06535	8.1
98.82609	0.9
100.73177	1.3
103.05418	1.6
105.07027	34.3
107.04949	2.8
107.08589	44.6
109.06515	35.2
109.10149	94.4
110.10479	1.5
111.08092	2.8
113.51260	1.0
115.05436	2.9
116.06251	1.1
117.03398	2.1
117.07018	8.0
119.08581	14.3
121.06525	6.2
121.09279	2.2
121.10137	38.1
123.04438	8.3
123.08064	20.0
129.07007	3.3
130.07756	1.5
131.04918	2.4
131.08560	51.1
133.06502	1.6
133.10121	22.7
135.08047	83.6
135.11690	3.8
143.08527	6.1
144.09366	2.2
145.02777	1.5
145.06487	1.3
145.10114	12.0
147.04414	1.7
147.08008	3.5
147.11676	12.3
148.08791	3.3
149.09616	15.6
149.13249	9.3
150.10376	3.8
158.10902	11.1
160.05110	1.3
161.09572	4.0
163.11067	1.9
163.14767	1.4
173.13252	52.7
174.13646	1.1
176.04657	1.3
176.11983	3.1
191.03395	10.6
191.06976	2.6
191.10631	3.9
191.14296	100.0
192.14699	2.6
195.42700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03945	2.2
55.05508	5.5
57.03428	2.2
57.07061	2.0
59.56827	0.6
65.03942	1.1
67.05508	4.5
69.03426	21.0
69.07079	5.1
69.40115	0.7
70.99445	1.3
70.99825	1.5
71.04996	1.2
73.02703	0.7
73.37653	0.7
74.00131	0.7
77.43729	0.9
79.05491	12.7
81.07054	12.3
81.07506	1.2
83.04977	4.9
85.06529	0.8
89.03923	0.7
91.05472	10.6
93.07048	8.1
95.04964	1.8
95.08598	5.3
97.06515	1.0
103.05457	1.4
105.07027	17.8
107.04971	7.2
107.08588	31.3
109.06516	2.5
109.10148	8.3
110.34090	0.7
115.05453	2.3
116.06244	1.0
117.06984	4.5
118.07857	0.7
119.08577	7.1
121.06504	3.3
121.10137	20.2
121.36483	0.7
122.07291	2.7
123.08082	2.0
129.07016	2.2
130.07794	1.0
131.08557	10.7
133.10121	100.0
134.10490	1.5
135.04428	1.2
135.08025	7.2
135.11678	4.6
137.09607	13.4
137.35736	0.7
143.08534	6.4
144.09366	2.1
145.06462	15.1
145.10118	8.3
147.08006	0.8
147.11687	4.0
149.09593	3.8
149.13249	14.0
158.10901	9.0
163.03891	4.5
163.14825	3.8
171.11771	0.8
173.05988	13.0
173.13249	29.6
191.03349	4.9
191.07001	4.3
191.10721	1.6
191.14296	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01860	1.4
55.05509	6.4
57.03434	1.8
57.07055	1.9
65.03916	1.1
67.05495	7.5
69.03060	1.7
69.03423	28.5
69.07062	8.4
69.10224	0.7
70.99136	2.1
71.04972	1.9
71.60091	0.7
77.03912	0.8
79.05489	15.3
81.03411	0.9
81.07056	13.0
83.04972	9.5
83.08614	2.7
85.06527	1.8
91.05473	13.4
93.07043	12.3
95.04968	2.9
95.08607	8.4
97.06520	2.2
103.05490	4.0
105.06361	1.4
105.07027	21.9
107.04942	7.8
107.08586	36.6
109.06500	6.9
109.10153	9.9
111.08070	1.7
115.05476	2.0
117.07001	4.5
118.04156	0.8
118.07836	1.1
119.08569	10.1
121.06503	6.6
121.10139	22.4
122.07294	2.5
123.08038	3.0
129.07008	2.4
131.04909	1.9
131.08560	18.6
133.10121	100.0
134.10443	1.3
135.04425	1.2
135.08043	14.2
135.11685	8.0
137.09608	13.1
143.08543	6.3
144.09329	2.8
145.06519	1.3
145.10117	11.3
147.11684	8.3
148.05197	1.7
149.04558	0.8
149.09615	8.5
149.12138	1.4
149.13252	16.0
150.10353	0.7
158.10925	11.1
160.05048	0.9
161.09599	2.2
163.03888	1.4
163.07533	2.7
163.11160	2.7
163.14812	3.5
167.05548	2.8
171.11697	1.1
173.06047	1.2
173.13252	34.9
174.13651	0.8
176.04662	1.0
176.11931	1.4
191.03322	1.4
191.05574	1.1
191.06996	4.4
191.10707	3.9
191.14301	62.5
192.10110	1.0
192.14766	0.9
193.88870	1.0
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	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01857	2.2
55.05510	6.0
57.07064	1.9
58.40957	0.9
59.04992	1.3
65.03925	2.4
67.05504	10.7
69.03422	8.8
69.07061	10.1
70.78801	2.6
71.01267	0.9
71.04994	11.8
79.05486	14.3
81.07050	11.1
83.04966	4.6
83.08596	2.0
83.21446	0.9
85.06534	8.5
91.04930	1.9
91.05478	25.5
93.07042	21.1
95.04954	7.8
95.08597	15.3
97.02872	0.9
97.06526	15.3
103.05453	4.8
105.07022	31.9
107.04938	4.5
107.08587	38.2
108.08911	1.5
109.06502	11.5
109.10149	7.3
111.08068	4.8
113.32883	1.0
115.05460	5.4
117.07014	11.1
118.04103	1.5
119.04967	1.1
119.08572	19.6
121.06510	6.5
121.10134	37.2
123.08063	4.8
129.06993	4.5
130.07796	2.4
131.04912	3.5
131.08560	21.7
132.05681	3.7
133.06407	1.3
133.10130	27.0
135.08044	30.4
135.11674	3.9
143.08562	6.2
144.09294	1.6
145.06482	4.6
145.10114	16.6
147.08025	2.1
147.11681	21.1
148.05235	1.3
148.07648	1.0
149.05971	3.1
149.09644	5.9
149.13223	13.4
158.10933	10.7
160.05006	2.0
161.09630	1.3
163.07562	6.2
163.11194	3.3
163.14824	1.3
173.06044	1.5
173.09618	3.2
173.13257	33.4
173.98819	1.1
176.11926	1.9
191.03375	2.7
191.07018	39.7
191.10619	6.2
191.14299	100.0
192.14647	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	191.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.8
60.04520	6.8
61.01142	12.4
67.05489	1.5
72.04507	52.8
78.03789	29.4
79.05496	2.1
81.07043	2.0
86.06065	6.5
91.05457	4.5
93.07026	3.6
95.04922	1.1
95.08569	1.8
102.03750	27.9
103.02157	100.0
103.05427	1.6
105.06999	4.2
107.04929	1.6
107.08580	6.3
109.06448	1.3
109.10185	1.9
114.03756	15.9
114.05515	91.8
115.02132	1.3
119.08559	2.6
120.04790	72.9
121.06504	2.2
121.10109	3.2
131.06358	13.0
131.08510	3.6
132.04782	20.9
133.10132	2.6
135.08020	4.2
138.60518	1.1
143.08595	1.3
145.06473	1.9
145.10085	3.9
147.11685	2.8
148.08659	1.7
149.07423	50.2
149.09421	2.6
162.05823	2.8
167.51942	1.2
173.05986	1.3
173.09599	1.4
173.13336	2.7
174.05843	11.4
176.04599	1.6
177.75900	1.3
191.03427	3.5
191.06972	4.0
191.08476	28.5
191.10602	3.6
191.14278	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	190.1258
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99071	0.8
51.02380	0.5
53.03942	0.5
57.07071	25.3
59.99100	3.3
62.99055	0.7
65.03926	0.6
67.05496	0.9
67.08102	0.5
68.99816	0.4
69.07055	0.5
71.71331	0.7
78.00145	40.3
79.05473	1.6
81.07040	0.9
84.08111	0.9
86.09705	10.1
91.05463	2.3
92.01688	1.0
93.07040	0.6
95.04958	1.4
95.08595	0.6
102.04642	0.7
103.05457	1.4
105.07013	1.3
107.04939	1.4
107.08609	0.9
109.10150	0.5
116.05274	0.7
117.07001	0.9
119.08565	0.5
121.02911	0.5
121.06547	0.6
121.10120	1.1
123.04457	1.2
130.06540	1.3
131.04945	1.0
131.08553	1.1
132.05684	0.6
133.10124	0.9
134.06337	47.7
135.08055	1.5
144.07936	0.7
144.08931	1.1
145.10097	1.4
147.04428	4.2
147.06628	1.0
148.07858	3.9
149.02335	2.5
149.08232	0.8
160.05159	0.6
162.05452	0.8
163.07510	1.0
163.11188	0.5
169.03363	0.5
173.09624	0.5
173.13132	0.8
175.03917	1.5
184.57333	0.6
190.06375	4.2
190.08949	2.6
190.12589	100.0
191.03410	2.6
191.06987	0.9
191.10596	0.7
191.12880	2.1
191.14325	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49612	0.5
53.03924	0.9
55.05510	12.2
57.07072	20.5
61.01145	1.2
69.07051	0.6
72.22279	0.6
79.05497	1.1
87.02684	3.2
87.08104	100.0
88.02206	2.0
88.08442	1.4
89.71825	0.7
91.05486	1.7
93.07066	1.0
95.04935	0.6
95.08611	0.6
98.09681	1.0
103.05457	1.8
104.05323	4.4
105.07031	1.3
106.07317	0.6
107.04934	0.8
107.08588	1.8
109.06481	0.6
110.07156	0.8
115.05809	3.2
118.06551	1.4
119.08627	0.7
121.10219	0.6
129.06580	1.6
130.04213	0.7
130.06537	4.1
130.07413	1.1
131.04916	1.6
131.08586	1.2
133.10141	0.8
135.08093	1.0
144.04446	0.6
144.08031	2.9
144.09038	0.6
145.06488	0.7
145.10150	1.0
146.06044	0.7
147.04399	1.2
148.05156	1.3
149.02312	0.9
149.09633	0.9
158.09993	2.2
162.05533	1.9
162.09966	2.2
163.03848	0.7
163.07547	1.3
166.54532	0.6
172.11928	0.7
190.03517	0.7
190.04883	1.2
190.06445	1.2
190.08513	1.3
190.09523	1.8
190.11099	0.7
190.12547	3.3
191.03459	1.3
191.05463	0.6
191.07047	2.2
191.14262	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	190.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.3
70.51492	0.9
72.93784	0.3
89.03915	1.0
93.82474	0.2
95.19175	0.3
111.46352	0.2
116.04961	3.2
134.05998	0.3
135.08116	0.3
144.04390	0.5
147.96904	0.3
150.96970	0.3
160.09985	0.2
162.05484	100.0
163.05875	2.1
164.05878	0.3
185.84151	0.2
190.04970	30.5
191.05420	1.1
208.01071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0496
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
51.77157	0.2
62.06310	0.2
70.06009	0.9
70.83920	0.2
89.03904	1.0
92.79258	0.2
94.25363	0.2
116.04964	3.0
122.00990	0.2
134.06010	0.4
144.04355	0.4
162.05486	100.0
163.05850	2.5
190.04971	28.6
191.03459	0.2
191.05257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.22610	1.0
53.03953	1.3
55.05505	6.4
65.36019	0.9
67.05502	5.6
69.03416	1.3
69.07066	9.5
79.05475	5.1
81.07050	10.3
83.08614	4.4
84.04472	2.0
85.02912	1.4
85.04833	2.6
91.05473	15.2
92.84669	0.9
93.07039	6.2
95.04980	1.2
95.08022	1.9
95.08604	28.9
103.05458	1.4
105.07024	38.8
107.08592	13.0
107.09271	1.8
109.06480	1.2
109.10147	4.8
112.70584	1.0
115.05480	2.5
117.07010	5.8
119.08572	54.6
121.10140	5.1
121.75373	1.1
128.06232	9.6
129.07030	1.3
130.07779	1.3
131.08562	10.2
133.06422	2.3
133.10121	43.7
143.08539	13.6
145.10101	11.6
146.10863	4.5
147.08055	1.2
147.11679	40.4
149.02319	2.7
156.09344	3.2
159.11661	3.1
160.12404	2.3
161.05980	2.4
161.09630	3.5
161.13271	8.5
171.07999	2.2
171.11641	3.8
174.10422	1.6
174.14052	3.9
185.03561	1.1
189.05473	2.5
189.09134	8.9
189.12775	8.9
189.16373	100.0
190.08575	1.9
190.16678	2.2
193.66510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
65.03935	0.8
67.05494	2.1
69.03428	5.3
69.07044	1.3
69.38461	0.6
70.97197	2.0
79.05486	1.7
81.07047	2.0
83.04976	0.9
87.88336	0.7
89.20817	0.6
91.05472	7.0
93.07027	2.9
95.04955	1.2
105.07023	15.4
107.05007	0.9
107.08575	3.1
109.06493	1.0
115.05441	1.9
117.06993	3.8
119.07745	1.5
119.08574	25.9
120.08865	0.9
121.06497	1.8
121.10144	1.4
128.06235	3.3
129.07007	2.4
130.07759	3.0
131.08548	7.3
132.05673	0.7
133.06482	3.0
133.10124	9.7
135.08026	2.7
141.06978	7.3
143.08545	6.9
144.09312	2.0
145.06462	2.2
145.10126	13.8
146.10927	1.2
147.08043	13.3
147.11671	14.1
148.08536	0.7
149.09482	0.9
155.08536	2.8
156.09346	44.1
157.09723	1.3
159.08070	12.0
159.11694	11.5
160.08887	3.5
161.09615	6.0
161.13258	14.0
171.11685	57.7
172.12041	1.7
173.09593	1.3
174.10405	21.1
189.05399	1.4
189.09143	2.3
189.12738	100.0
190.13034	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1234
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
53.03922	0.5
55.01859	1.1
55.05491	1.1
56.05028	1.0
56.96560	13.8
57.03419	1.3
58.06592	0.5
58.96165	0.7
59.06100	0.4
60.04519	0.8
60.08159	1.9
61.02911	0.7
65.03934	0.6
67.05487	1.4
68.99796	0.9
69.03431	2.0
69.07062	12.6
70.06579	1.7
71.04996	0.7
71.12849	0.9
71.13187	0.6
71.24348	0.4
71.95247	0.6
72.08146	0.9
72.93782	0.5
73.02907	1.5
74.97604	0.8
79.05482	1.3
81.03433	0.7
81.07055	1.2
83.01363	0.4
83.04974	1.5
84.04501	4.8
84.08135	2.3
84.96004	0.7
85.02879	3.2
85.04819	1.5
86.01449	0.4
86.06057	0.7
86.09698	100.0
87.04449	1.2
87.10027	1.0
91.00498	0.5
91.05482	2.6
93.03391	0.5
93.07034	0.6
94.06536	0.5
95.04968	1.6
95.08619	0.8
97.02893	1.6
98.97577	7.3
99.04409	0.5
101.02380	1.0
102.05515	0.5
103.00523	0.6
103.02383	0.6
105.07024	4.1
107.04949	1.6
107.08590	0.6
109.07648	0.8
110.97564	0.6
111.00802	1.2
111.04433	1.6
112.01031	1.7
115.03923	0.5
115.05411	1.3
116.98608	8.2
117.06984	1.9
119.00230	0.5
119.01914	2.0
119.04874	0.6
119.06882	1.5
119.08576	2.0
121.01521	2.2
121.02790	0.4
123.01218	0.6
125.05976	0.4
127.03905	0.6
128.02243	0.5
128.06186	3.3
128.98613	1.2
129.01868	0.7
129.06995	1.3
130.05023	1.1
130.07761	1.0
130.08661	0.9
131.00192	0.8
131.08563	0.7
131.99683	0.8
133.01767	0.4
133.10107	1.7
134.99651	10.0
137.02965	1.2
139.00255	1.2
140.00233	0.6
143.04921	0.8
143.08548	4.6
144.98116	0.5
145.03491	0.5
145.06485	1.0
145.08469	0.7
145.10161	2.1
146.06075	1.0
146.07161	0.5
146.99605	2.4
147.06357	2.2
147.08049	1.1
147.11713	1.1
147.96852	1.1
147.99168	0.5
148.08611	0.6
148.97455	0.4
149.01251	0.9
149.09526	0.6
150.00763	1.7
150.96857	1.3
153.00734	1.4
153.79379	0.4
156.09343	1.4
157.01329	0.7
158.01320	0.8
158.99721	0.7
159.11739	0.6
161.01187	1.0
161.05978	0.9
161.09631	1.7
161.13246	0.8
162.05469	2.5
162.10158	0.6
162.99129	0.8
163.04471	0.5
165.00731	1.0
165.97923	0.9
166.00215	1.4
171.08104	1.3
171.11684	2.6
172.09668	1.2
177.00713	0.7
181.00165	0.9
185.02950	1.0
189.00766	0.8
189.02403	0.5
189.05428	2.6
189.07062	1.6
189.09059	3.3
189.11118	0.6
189.12651	5.4
189.16275	0.9
190.04987	0.6
190.08649	0.6
191.02280	0.5
201.92897	0.4
207.01753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17219	1.2
55.05511	9.6
57.03426	2.6
61.02918	3.3
63.71062	1.1
67.05508	3.8
69.03424	42.5
71.01339	3.4
71.04978	3.9
71.31374	2.8
82.36243	1.1
83.04977	50.5
84.05327	1.7
85.02899	100.0
87.04478	1.9
91.05479	3.6
95.08590	1.3
99.85995	1.1
105.07018	5.4
111.04433	29.5
117.06995	2.1
119.08546	3.9
128.06226	6.2
128.88121	1.1
129.05469	13.0
129.06982	1.9
130.07826	1.5
131.08559	1.7
133.10135	3.7
134.81311	1.1
141.06952	1.2
143.08554	7.0
144.14323	1.3
145.10081	3.2
147.11671	2.5
151.07011	1.3
156.09363	2.5
161.06001	2.0
161.09636	3.5
171.06538	7.3
171.07930	1.6
189.05453	2.1
189.09070	7.1
189.12657	6.8
189.16403	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.7
57.03437	2.9
61.02910	1.7
67.05473	3.0
69.03418	2.1
71.46497	2.9
77.20754	1.2
79.05435	1.7
83.04973	47.2
85.02896	100.0
86.03200	1.7
91.05447	2.2
105.07018	4.3
111.04432	24.9
119.08567	3.8
128.06215	3.2
129.05486	9.5
130.06526	2.9
133.10069	2.9
139.08899	1.2
142.31522	1.2
143.08531	2.8
144.08034	1.4
145.10143	1.4
147.08020	1.4
161.09618	2.6
171.06581	7.7
174.06844	1.4
189.05302	1.5
189.09113	3.7
189.12689	4.7
189.16194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11670	3.8
51.26285	4.2
55.05502	22.2
57.03421	9.0
59.05020	4.8
61.02925	9.4
67.05508	6.5
69.03429	9.9
70.97354	11.9
71.04620	6.8
71.04986	100.0
75.04466	10.3
77.98645	5.4
79.05485	5.4
81.07037	5.3
83.04973	86.4
84.04509	9.3
85.02904	54.4
85.04865	7.2
87.04462	15.9
91.05450	21.8
93.07059	5.8
95.04996	5.4
95.08587	9.6
98.79621	4.2
103.05459	6.9
105.03387	7.0
105.07029	33.1
107.04939	6.5
111.04434	61.8
113.05977	5.7
115.03927	4.3
115.05449	9.3
116.06268	5.2
117.05505	9.5
117.06980	9.4
119.08568	23.1
121.10114	5.8
121.18224	4.4
128.06224	33.4
129.05481	45.5
129.06969	45.0
130.07758	7.8
131.04918	5.3
131.08569	12.3
133.06488	8.1
133.10133	18.1
141.07018	4.9
143.08559	32.5
145.06482	5.0
145.10107	14.4
146.07271	9.9
147.08084	5.5
147.11673	9.2
151.86461	5.6
156.09358	8.5
157.06494	14.7
158.07326	6.1
158.44383	4.8
159.08067	8.0
161.02383	4.6
161.05989	20.8
161.09604	23.0
161.13292	6.7
171.06552	7.9
171.08047	8.3
171.11665	12.2
174.06744	51.7
189.05444	12.6
189.09094	82.6
189.12660	30.1
189.16368	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	189.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80681	4.3
55.05513	25.9
61.02913	7.5
67.05476	5.0
69.03407	11.9
70.07088	16.6
71.04988	100.0
72.36295	4.2
75.04459	8.1
79.05473	4.9
79.58143	4.1
83.04980	77.8
84.04479	8.4
85.02896	51.7
85.04839	10.6
87.04461	14.6
91.05465	11.5
93.07024	7.4
105.07045	31.0
107.04943	16.4
107.08592	5.0
111.04436	62.4
113.05992	7.2
115.03908	5.5
115.05415	12.8
115.09650	4.2
117.05470	6.1
117.06995	5.2
119.08569	17.3
128.06209	19.3
129.05473	43.9
129.06985	14.2
130.07829	5.3
131.08542	8.6
133.06490	8.8
133.10077	15.1
143.08560	24.2
145.10092	7.5
146.07245	4.4
147.11662	8.1
156.09334	6.9
161.05963	15.0
161.09633	14.0
161.13286	10.2
171.06583	8.6
171.07945	5.6
171.11656	12.0
174.06734	6.8
188.67682	5.1
189.05484	17.1
189.07518	5.8
189.09113	25.0
189.12740	32.9
189.16345	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	188.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96976	1.1
53.03936	1.4
55.01869	5.2
55.05497	6.0
56.05031	8.0
56.96560	36.4
57.03424	5.8
58.02932	1.2
58.06589	2.4
59.04985	2.2
59.06105	1.6
60.04519	6.5
60.95847	1.4
61.01136	2.6
61.02921	11.1
65.03923	2.0
67.05493	5.3
68.05010	2.9
69.03416	5.9
69.07061	2.4
70.02942	4.8
70.06572	3.6
70.76711	2.4
70.95850	2.0
71.04980	5.1
71.95261	1.1
72.04496	4.2
72.08147	3.7
72.93764	2.5
73.02913	6.4
73.06551	0.9
74.06073	1.3
74.54070	0.9
74.97605	1.6
75.04463	1.5
79.05462	1.4
80.02528	1.1
81.03409	4.0
81.07027	1.9
82.02950	2.4
82.06571	8.1
83.04967	10.0
83.97610	1.6
84.04497	100.0
84.08146	5.9
84.96023	2.1
85.02895	22.7
85.06531	1.8
86.06049	4.0
86.09707	7.3
87.04463	8.6
88.03964	2.1
91.05473	3.6
95.04942	2.2
95.08594	1.1
96.04476	2.3
96.08121	2.3
97.02903	4.9
97.07655	1.1
98.01286	1.7
98.06041	3.7
98.97574	15.2
99.04456	3.3
100.03963	2.4
100.07597	4.4
100.99115	2.5
101.00665	1.1
101.02355	3.3
101.05984	2.2
102.05531	1.4
105.02040	1.8
105.07002	2.7
107.05003	1.4
109.02845	1.6
110.01250	2.5
110.06039	6.6
111.00779	1.8
111.04440	4.7
112.07596	1.5
113.06020	1.2
114.05505	2.0
114.09135	2.2
115.03916	2.3
115.05413	4.1
116.07071	1.6
116.98612	14.8
117.06979	4.7
118.06533	37.2
119.00131	2.6
119.01816	7.8
121.02814	1.1
124.07571	4.3
126.05518	5.9
127.03983	1.1
128.00238	1.1
128.02296	3.2
128.03416	11.9
128.06206	2.4
128.07071	14.4
128.88161	0.9
128.98570	2.7
129.05540	1.8
129.06467	1.1
130.08656	1.8
132.08914	1.8
134.01292	2.6
134.99649	15.9
137.02861	1.2
139.02740	1.6
141.56381	1.0
142.06487	2.3
142.08626	12.7
143.07271	6.4
143.08540	4.8
144.01070	2.5
144.08058	12.9
145.01646	1.2
145.10075	1.6
145.97681	1.3
145.98895	1.8
146.01282	1.7
146.05997	47.7
146.08116	5.6
146.99620	4.2
150.00726	2.1
150.96869	3.6
153.00703	3.4
153.01822	2.5
154.01878	1.2
155.04527	1.1
157.01430	1.8
158.01192	1.7
158.99646	1.5
160.09712	3.2
160.12047	1.1
161.01285	1.7
164.02180	1.5
164.98372	1.4
165.00705	3.9
170.01616	3.2
170.06050	5.6
170.08046	6.5
171.11496	1.7
173.01157	1.4
174.01103	1.6
175.02585	1.1
177.00674	1.3
183.01697	2.3
185.01268	1.8
188.03755	7.5
188.07074	9.8
188.09154	16.0
188.11662	6.0
189.00708	2.2
189.05409	2.5
189.06981	1.3
189.09131	1.8
201.00682	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	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.81405	0.3
55.55750	0.3
56.00571	0.3
56.05025	0.8
56.96554	0.5
57.03434	0.5
59.05001	0.5
60.04527	0.6
61.02921	1.1
69.06998	0.3
70.63057	0.7
70.63452	0.7
71.04972	0.4
72.93769	0.3
82.06564	0.9
83.04955	1.1
84.04498	14.9
85.02895	3.1
87.04466	1.1
91.05467	4.8
99.02624	0.4
100.07580	0.4
105.06999	0.6
110.06037	0.8
115.05439	6.3
117.05761	1.8
117.07014	5.2
118.06532	76.5
119.06881	1.0
126.05515	0.7
128.03369	0.4
128.06201	0.6
128.07082	0.8
132.08025	0.5
142.06502	6.3
143.07297	13.1
143.08354	0.5
144.04425	1.1
144.08081	26.0
145.06474	0.9
146.05995	100.0
147.06354	2.5
152.39865	0.4
155.06006	1.3
160.07556	1.1
160.09639	0.7
160.11931	0.4
161.09558	0.4
170.06004	9.2
170.08121	0.4
188.07057	18.7
188.09091	2.1
188.11531	1.1
189.07326	1.1
189.08977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
57.59204	0.3
69.84433	0.3
70.87981	0.5
70.88361	0.6
84.04498	2.3
85.02918	0.5
91.05465	3.9
97.19680	0.3
103.05458	0.6
105.86224	0.3
115.05450	5.7
116.06247	0.5
117.05750	1.4
117.06223	0.3
117.07014	4.8
118.06535	66.2
119.06876	1.7
125.61385	0.3
128.04979	0.4
132.08070	0.4
142.06516	6.3
142.08589	0.5
143.07298	10.9
144.04454	0.8
144.08081	22.9
145.06494	1.0
146.06000	100.0
147.06332	2.9
155.06047	0.7
160.07599	1.1
170.06007	7.8
185.41626	0.3
188.07059	19.9
189.05730	0.3
189.07436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1327
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03934	1.3
55.01873	2.4
55.05502	10.9
57.03419	5.6
57.07058	6.1
57.38737	1.3
61.02909	1.9
65.03910	1.6
65.65468	1.3
67.05499	65.0
67.35601	1.4
69.03412	4.2
69.07070	10.7
69.82750	8.7
69.83164	1.8
71.04986	76.1
79.05485	18.2
81.03382	1.8
81.07046	52.5
83.04972	9.0
83.08613	2.7
84.04487	16.6
85.02885	5.3
85.06532	100.0
86.06853	2.0
88.02201	5.3
91.05468	41.6
93.07047	15.0
95.04969	2.7
95.08593	4.1
97.06522	2.9
98.21452	3.0
99.04430	2.1
99.55839	1.6
105.07023	52.5
107.08584	36.6
109.06506	8.6
109.10144	58.7
111.66012	1.4
115.05405	1.7
117.06991	4.5
123.08070	1.6
123.11702	7.9
127.07568	2.8
128.06206	6.2
128.07066	1.8
129.06958	4.3
130.07721	1.6
131.04915	2.4
131.08562	13.3
133.10117	70.9
141.06950	4.0
143.08548	4.5
144.05690	3.8
144.09335	3.2
145.06447	3.8
145.10085	4.4
151.11166	32.7
154.07764	2.6
155.06017	1.6
157.10129	1.7
158.07292	1.6
159.08061	6.1
159.11676	9.8
169.10065	3.8
169.12230	9.8
172.05347	1.7
172.08707	2.2
173.00781	1.6
187.07510	8.7
187.11153	32.9
187.12973	2.2
187.14844	3.8
188.09151	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	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.05495	0.3
65.98095	0.2
67.05499	1.5
69.03415	0.4
70.38649	1.5
71.04977	0.7
74.30395	0.2
79.05476	0.5
81.03406	0.4
81.07037	0.9
83.08600	0.5
84.04483	1.1
85.02873	0.6
85.06529	1.0
88.02192	1.3
91.04926	0.5
91.05463	4.1
91.62940	0.3
93.07052	0.8
103.05440	0.6
105.07021	6.3
107.08544	0.4
109.10130	0.6
115.05425	2.0
116.06216	1.2
117.07007	5.1
119.08574	10.0
128.06223	3.4
129.07001	12.6
130.07838	1.6
131.04887	0.5
131.08562	11.1
133.10114	1.0
140.15999	0.4
141.06955	1.6
142.07776	0.9
143.08580	2.9
144.05699	1.4
144.09335	18.9
145.06450	2.1
145.10153	2.5
147.07979	0.6
153.06967	0.6
154.07805	2.1
157.06398	1.5
157.10110	1.8
158.07199	0.7
159.08078	5.1
159.11684	27.8
160.12024	1.1
169.10155	3.2
171.08025	1.0
172.05092	0.4
172.08827	10.6
173.00885	0.3
186.10457	0.4
187.07672	6.5
187.11169	100.0
188.11525	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	187.0752
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
53.03933	1.2
55.01868	16.4
55.05488	2.7
56.05014	1.6
56.96547	0.8
57.03420	1.5
65.03934	5.4
67.05492	2.7
69.03423	5.5
70.02924	1.2
71.01331	1.2
71.04957	1.1
71.72764	1.1
77.03916	0.8
79.05455	1.6
81.03405	4.4
81.07050	2.5
82.06541	0.9
83.04975	1.3
83.08619	2.2
84.04495	17.4
85.02909	5.2
87.60360	0.9
88.02203	6.5
91.05474	23.1
93.03376	1.8
93.07005	1.6
95.04964	1.4
96.37656	0.8
103.05447	3.5
105.07007	6.6
107.04948	9.2
111.04427	1.4
114.74831	0.9
115.05441	23.0
116.06248	8.5
117.07025	11.3
119.04959	1.7
119.08579	2.3
121.02861	14.5
127.03813	1.0
128.06239	7.8
128.07072	1.7
129.05484	1.1
129.06993	11.9
130.07779	2.2
131.04913	13.6
131.08556	46.4
132.05687	0.9
132.08919	1.1
133.10130	1.5
137.98296	0.9
141.06975	46.9
142.07556	1.0
143.08519	7.3
144.05688	48.3
144.09300	3.7
145.06494	19.2
145.10117	11.3
146.06032	0.9
154.07762	5.8
155.06041	1.9
157.06473	2.4
157.10101	1.1
158.07256	3.7
159.04417	2.5
159.06973	2.8
159.08047	58.4
159.11678	15.1
160.08438	1.4
168.05730	1.5
169.04962	1.9
169.06473	26.1
169.07652	6.1
169.10075	5.3
172.05173	2.2
172.08803	3.8
172.12476	1.0
173.00783	1.4
187.04062	4.3
187.07536	100.0
187.11147	51.5
187.14748	8.7
188.07858	3.6
188.09361	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	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
58.24781	0.3
60.70184	0.3
63.09813	0.3
67.05495	0.7
69.03432	0.7
70.87869	0.9
71.05003	0.3
79.05461	0.9
81.03410	0.5
81.07041	0.8
83.08610	0.3
84.04500	1.5
85.02898	0.4
88.02202	1.1
91.05470	3.5
93.07054	0.5
95.08597	0.4
103.05448	0.5
105.07030	6.1
109.02866	0.4
110.03853	0.3
115.05424	1.9
116.06234	0.9
117.07014	4.6
119.08572	11.1
128.06209	3.7
129.06999	12.7
129.18527	0.3
130.07742	1.3
131.04884	0.7
131.08563	10.6
132.08881	0.3
141.06970	1.9
142.07745	1.2
143.08574	3.3
143.29547	0.3
144.05652	0.6
144.09331	18.6
145.06461	1.0
145.10121	2.6
147.07994	0.8
153.06972	0.4
154.07773	1.3
155.06007	0.3
157.06444	1.3
157.10158	1.5
158.07260	0.5
159.08078	3.0
159.11682	29.6
160.11981	0.7
169.10089	2.5
171.08054	0.6
172.08823	10.0
185.09572	0.4
187.07715	3.5
187.11171	100.0
188.11562	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	185.0443
Annotation	3,4-Dihydroxymandelate
Peak:m/z	Relative Intensity
52.29778	0.2
52.42677	0.2
53.03927	0.3
55.01606	0.2
55.01865	3.2
55.05495	0.8
56.05025	0.3
56.96548	0.8
59.06118	0.4
60.04513	0.2
65.03930	1.4
67.01846	0.4
67.05497	3.2
68.04996	0.2
68.99776	2.0
69.03410	0.6
69.07069	0.4
70.06573	0.5
70.51176	0.7
71.01340	0.2
72.08135	0.2
73.02888	0.2
79.05466	0.3
81.03413	0.3
81.07056	0.2
83.04966	0.9
83.06091	0.3
84.04516	0.3
84.08138	0.3
86.06055	0.4
87.04463	0.2
91.05485	0.3
93.03394	2.9
93.07032	0.3
95.04964	1.8
97.02877	0.9
97.07652	0.2
98.06034	0.4
98.97548	0.4
99.04455	2.0
105.07013	0.5
106.26010	0.2
109.02895	0.2
109.07635	0.3
111.04432	3.1
111.09179	0.3
112.07575	0.3
114.05548	0.3
115.03918	0.4
116.98627	0.3
119.01889	0.4
120.02002	0.6
121.01675	0.3
121.02852	0.7
121.06583	0.2
121.07561	0.3
125.02384	0.4
126.05500	0.7
127.08718	0.2
128.06201	1.1
129.06984	1.4
134.99683	0.3
138.03062	0.2
139.03885	100.0
140.04213	1.7
141.06979	0.6
142.07774	1.3
143.08554	2.6
153.00713	0.2
155.08540	0.4
156.03398	0.2
156.09341	0.6
157.10133	1.7
159.03329	0.2
163.01830	0.3
167.03381	7.4
167.08134	0.5
168.03612	0.2
168.11172	0.3
170.10899	0.8
174.04332	0.5
181.02875	0.4
185.02924	0.2
185.04436	0.7
185.09367	0.7
185.13219	3.6
186.07607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0443
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
53.03948	3.4
53.95868	0.3
55.01867	2.3
55.05498	1.2
60.13369	0.3
62.58970	0.3
65.03925	0.8
67.01852	0.7
67.05505	2.6
68.99788	19.2
69.03409	0.6
69.50101	1.0
69.50524	1.8
71.04980	0.8
81.03411	5.2
83.70896	0.3
95.04948	1.0
98.21491	0.6
99.04430	1.3
102.96818	0.3
105.07050	0.3
108.31995	0.3
111.04426	0.6
112.91718	0.3
112.98721	0.8
121.02820	0.7
122.66019	0.3
125.02379	0.4
126.05467	0.3
128.06204	0.8
129.07002	0.9
130.99762	2.5
139.03905	0.4
141.07005	0.3
142.07733	1.0
143.08546	2.3
149.02281	0.3
156.09312	0.5
157.10144	1.6
165.98297	0.3
167.03349	2.9
167.07091	0.3
167.83824	0.3
170.10899	1.1
185.04445	100.0
185.13231	2.9
186.04774	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	184.0603
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
53.03954	0.5
54.09386	0.4
55.01876	1.2
55.05518	1.4
56.05053	1.2
56.55579	0.4
56.96558	19.7
57.03435	2.7
58.06597	0.8
59.06131	1.0
60.04533	0.5
60.08162	1.0
61.02939	1.9
65.03933	2.0
65.92634	0.9
67.05479	2.2
68.05018	2.3
68.99780	0.5
69.03425	3.9
69.38047	4.9
70.06598	1.8
70.98120	0.6
71.05016	0.7
71.94098	0.4
71.95248	1.1
72.08122	0.9
72.93794	0.8
73.02905	3.6
74.06060	0.7
74.97615	0.8
79.05488	0.9
80.94970	1.9
81.03404	2.0
81.04538	1.0
81.07049	1.0
82.06574	2.0
83.00820	1.0
83.04984	0.9
83.06104	1.3
84.04498	3.5
84.08144	0.5
84.96040	0.8
85.02891	4.2
85.07667	0.7
86.06088	0.7
86.09702	2.1
89.00774	0.7
90.01563	1.7
91.00533	1.1
92.01295	1.1
92.05008	1.7
93.03417	0.6
94.06576	1.3
95.04961	2.3
95.06119	0.7
95.08582	0.7
96.01526	0.5
96.04482	2.1
96.05308	1.1
96.08143	0.7
97.02879	4.0
97.07648	1.1
97.99226	0.5
98.01289	1.0
98.06057	0.8
98.97577	7.1
98.98480	0.7
99.02125	0.6
99.04449	0.8
100.01005	0.5
100.07612	0.5
101.00848	3.6
101.95017	6.6
102.96905	0.7
103.00499	0.6
105.03394	1.0
106.03728	1.2
107.00217	0.4
107.01786	0.6
107.04951	1.7
108.04474	0.5
109.02894	0.8
109.07655	1.9
109.52096	0.4
110.01267	3.8
110.06034	3.1
110.07180	0.5
110.09681	1.1
110.97565	1.5
111.04442	0.7
111.05626	0.6
111.09199	0.7
112.01030	1.8
113.07134	0.6
113.96405	0.6
114.05534	1.9
114.52818	0.4
115.00552	0.6
116.00179	0.4
116.98603	7.5
118.01017	1.5
118.03539	0.4
119.01893	40.2
119.96053	3.6
120.02028	2.3
120.04435	2.1
120.97910	0.8
121.01536	2.6
121.02861	0.5
121.06492	0.5
121.07639	0.5
121.97556	3.2
122.06082	0.6
123.04424	2.8
123.05270	0.4
123.09131	0.6
124.00984	1.0
124.02467	0.8
124.03916	1.2
124.04746	0.5
124.93908	1.1
124.99981	1.5
125.02357	1.3
125.07126	1.2
127.01544	1.0
127.03920	1.6
128.02299	8.2
128.06256	0.6
128.98601	3.4
129.06973	0.5
130.04994	0.9
130.52551	0.5
131.00130	0.6
131.01866	1.0
131.97375	0.6
133.01559	1.8
133.02800	1.0
134.01289	0.5
134.99638	5.9
135.00606	0.6
135.04414	0.5
136.08638	0.4
137.02959	21.4
137.05945	0.9
137.97063	4.4
138.03055	1.4
138.05469	8.2
138.06468	0.6
138.09108	1.4
138.98930	1.2
139.01555	1.9
139.03889	15.8
139.08592	0.4
139.43555	0.5
139.53117	0.9
142.01833	0.5
142.03499	8.8
142.04948	1.9
142.94946	1.2
143.00140	2.0
143.03447	1.3
143.08502	0.8
144.98013	2.0
145.01559	1.4
146.99648	4.7
148.03914	71.8
148.97600	0.7
149.01215	0.7
149.02321	1.1
149.04256	1.2
149.05928	0.5
149.07121	0.6
150.52313	0.6
152.00101	0.5
153.00668	0.5
154.02045	1.9
154.07306	1.5
155.98190	2.7
156.08945	0.9
156.10162	0.7
157.10054	0.5
158.99649	1.7
160.00145	0.5
160.04507	4.3
160.96104	2.1
160.98763	1.2
161.01265	3.3
161.02946	3.7
161.04144	0.8
162.99159	2.4
163.02707	0.6
165.00658	0.9
165.05142	1.0
165.96532	1.6
166.04979	100.0
166.09737	1.3
167.03401	1.4
167.05377	2.5
167.06754	0.4
169.09619	2.0
170.99567	0.7
171.03105	0.6
173.01230	0.7
173.02849	0.5
175.02682	0.9
177.00699	1.4
178.99907	0.7
179.02304	1.0
179.03984	4.7
179.05396	0.7
181.00206	1.0
183.97575	2.5
184.02798	0.7
184.04594	1.1
184.06012	14.5
184.07402	1.7
184.09406	2.3
184.10844	1.7
184.12077	1.1
185.01099	0.7
185.04424	0.7
185.13202	1.7
186.99113	0.6
189.00630	1.2
201.00708	0.8
202.03801	0.7
202.05551	0.8
202.98416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57076	0.4
55.01868	1.2
55.05505	0.9
56.05012	1.0
56.96559	11.5
57.03423	1.5
58.33728	0.4
59.06096	0.4
60.04512	0.5
60.08153	1.4
61.02909	0.7
64.02731	0.4
65.03944	0.7
65.92607	2.0
67.05490	0.9
68.05006	0.9
68.99790	0.7
69.03407	1.2
70.06581	1.6
70.95848	0.6
71.01347	0.6
71.04974	0.9
71.07351	0.6
71.63456	0.9
71.95241	0.5
72.04513	0.6
72.08138	1.1
72.96079	0.4
73.02891	1.7
80.05001	0.5
80.94962	4.7
81.03429	1.3
81.04532	0.7
81.07024	0.5
82.06577	1.3
82.99821	0.5
83.06089	1.0
83.93630	0.6
84.04484	1.8
84.08152	0.6
84.96019	0.7
85.02901	3.7
86.03554	2.1
86.06055	0.6
86.09691	7.5
94.06554	0.6
95.04954	1.4
95.06098	0.6
96.04481	1.2
97.02893	2.2
98.06013	0.4
98.96007	0.7
98.97599	3.9
98.98443	1.5
100.02474	0.8
101.00863	10.6
101.95015	2.8
102.02224	1.3
102.96945	0.6
105.03355	1.1
106.03713	0.9
107.01302	0.6
107.04974	1.3
109.02878	0.9
109.07608	1.0
110.01234	0.6
110.06006	1.8
110.07157	0.6
110.09662	0.6
111.04439	0.5
113.04575	0.6
114.02981	1.6
114.05492	0.7
115.00626	1.0
115.02406	1.2
116.98623	3.7
118.03510	0.9
119.01907	100.0
119.96069	1.5
120.01994	4.3
120.03220	0.8
120.04504	0.9
120.97894	1.0
121.01639	1.2
121.02899	0.5
121.06518	0.7
121.97563	4.5
123.04416	1.1
124.02490	0.7
124.03933	1.2
124.04810	1.0
124.07554	0.6
124.08670	0.5
124.93884	1.9
124.99987	4.6
125.02393	2.2
125.06179	0.5
125.07127	0.8
127.03913	1.2
128.02290	1.2
128.98593	1.5
129.06978	0.9
130.04922	0.5
131.00000	0.5
131.01859	1.6
133.01628	6.0
133.03516	0.9
134.99635	2.4
135.03197	0.6
136.07576	0.9
137.02946	46.5
137.97089	2.0
138.01871	1.4
138.03046	1.8
138.05486	2.8
138.06470	0.4
138.09138	0.9
138.10225	0.7
138.98897	0.7
139.01465	0.4
139.03918	3.4
139.50729	0.5
141.96576	0.7
142.03494	22.9
142.04930	1.0
142.94923	1.4
142.96548	0.6
143.00146	0.7
143.01924	3.8
143.03551	2.3
143.08511	0.8
145.03429	0.7
146.99643	2.0
148.03920	1.4
149.01198	0.4
149.02289	0.9
149.05998	0.9
151.02710	3.8
151.04868	0.9
153.01816	1.2
154.07285	0.7
155.98119	0.8
156.03171	4.4
156.05089	0.6
156.08923	0.5
157.10094	1.0
159.97618	0.9
160.04533	8.3
160.95992	3.1
160.97575	1.5
160.98837	0.5
161.01256	2.7
161.02948	13.5
161.04558	2.1
162.03047	0.8
165.05104	1.5
165.96558	3.2
166.04953	3.2
166.08607	1.3
167.03403	1.1
169.09720	1.3
170.99612	0.5
173.02850	0.8
174.04332	2.4
177.00702	0.7
178.98607	0.9
179.02286	2.7
179.04007	10.7
179.05508	0.7
183.97585	3.7
184.02557	1.6
184.04533	2.3
184.06039	3.8
184.07362	6.0
184.09633	3.7
184.12108	1.0
185.00986	0.5
185.02882	1.1
185.04398	0.5
185.06010	0.5
185.13220	0.9
187.74129	0.5
197.03279	0.6
201.00661	1.7
202.01163	0.6
202.03764	2.3
202.05563	0.7
203.02289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36756	0.1
54.81292	0.1
56.05023	0.5
58.06586	0.2
60.00642	0.3
63.02600	0.1
63.95625	0.1
71.47083	0.2
82.99799	1.0
83.06103	0.2
84.04513	0.2
96.05264	0.2
98.98429	0.2
100.02467	0.5
101.00864	14.8
101.95016	0.9
102.00964	0.5
103.00688	0.2
109.07594	0.1
115.02478	0.2
116.05566	0.2
118.03512	1.0
119.01905	100.0
119.96077	0.5
120.01998	5.2
121.01646	0.4
121.02375	0.2
124.02409	1.3
125.07077	0.1
133.03459	0.3
134.03024	0.2
136.04552	0.5
137.02939	40.4
137.97105	0.5
138.03073	1.8
138.04208	0.2
139.03453	0.2
141.05125	0.2
142.03482	21.8
143.03703	2.4
143.08510	0.2
144.03235	0.3
154.07480	0.2
156.05048	0.2
158.06581	0.7
159.06125	0.3
160.04546	9.0
161.02934	6.7
161.04398	2.7
161.04645	2.7
162.03105	0.2
162.04224	0.8
165.05078	1.1
169.09657	0.3
169.35327	0.1
174.06195	0.2
176.07674	0.1
178.00896	0.1
178.03870	0.1
178.05527	0.4
179.03969	10.2
179.05461	1.1
180.04071	0.3
180.05423	0.2
183.06178	0.3
184.04536	1.2
184.06172	0.4
184.12047	0.2
186.02444	0.2
202.05595	1.0
202.07332	0.4
203.06781	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	184.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
54.02664	0.6
55.01861	2.6
55.05497	2.0
55.93555	0.6
56.05022	2.4
56.96560	25.2
57.03437	3.2
57.65493	0.6
58.06575	0.6
59.06106	0.7
60.04514	1.4
60.08147	1.3
60.95854	0.6
61.02905	2.3
61.04929	0.6
65.03933	3.7
65.92627	1.0
67.05517	3.4
68.05032	3.3
68.99779	1.5
69.03425	5.6
70.06578	2.8
70.95844	0.8
71.04972	1.2
71.07351	1.4
71.68568	1.2
71.68951	0.8
71.94086	0.7
71.95253	1.2
72.04487	0.8
72.08136	1.3
72.93795	1.3
73.02903	5.2
74.97610	1.0
80.04982	0.8
80.94964	3.3
81.03403	2.7
81.04510	1.4
82.06580	3.1
83.00780	1.7
83.04977	2.0
83.06075	2.3
84.04491	6.7
84.08154	0.9
84.96022	1.5
85.02894	6.4
85.20470	0.6
86.06044	0.9
86.09692	7.8
87.04456	1.2
87.97472	0.6
88.07589	0.7
90.01543	1.8
90.94811	0.8
91.00490	1.3
92.01279	1.9
92.04996	1.7
93.03410	1.3
94.94138	0.6
95.04953	4.3
95.06077	1.8
95.07391	0.7
96.01534	1.3
96.04471	2.9
96.05268	1.0
96.06857	0.9
96.08178	0.7
97.02884	5.5
97.07625	2.0
98.01287	2.0
98.97565	11.7
98.98458	2.0
99.04433	2.2
100.03939	1.1
100.07557	0.8
101.00854	5.6
101.95010	6.7
102.15354	0.7
102.96928	0.7
103.00493	1.0
104.01240	0.8
104.10735	0.8
105.03386	1.0
106.03699	1.7
107.01807	1.6
107.04940	1.5
109.00479	0.9
109.02861	1.7
109.07610	2.6
110.01279	2.7
110.03622	0.8
110.06039	5.2
110.09681	1.3
110.97569	2.0
111.01967	0.8
111.04420	2.5
111.05546	0.9
111.09185	1.1
112.00999	3.2
112.07594	0.7
113.07019	0.6
113.96400	1.2
114.05524	1.6
116.01305	0.8
116.98612	9.7
118.01000	3.7
118.03538	1.1
119.01900	52.9
119.96054	3.7
120.01998	3.1
120.04433	2.7
121.01550	3.2
121.02850	1.5
121.52020	1.7
121.97561	4.2
122.06037	1.4
123.04432	3.6
124.01028	0.7
124.03919	1.9
124.04774	1.8
124.07598	1.0
124.93886	2.0
124.99991	7.1
125.02348	3.3
125.07116	2.1
127.01520	1.5
127.03881	1.8
127.08677	0.8
128.02304	10.2
128.52463	0.9
128.98601	3.3
129.07016	1.0
130.04994	1.2
130.52574	1.7
131.01860	1.0
131.97427	1.4
133.01569	4.4
134.99652	6.0
136.07590	0.7
136.08664	0.9
137.02959	25.8
137.05881	0.7
137.97083	4.3
138.02925	1.6
138.05479	9.2
138.06461	0.8
138.09105	1.2
138.10196	0.8
138.98921	1.0
139.01526	3.8
139.03889	35.3
139.08676	0.9
139.53082	0.8
140.00262	0.7
141.96545	0.9
142.01720	0.8
142.02556	0.9
142.03506	10.6
142.04950	3.7
142.07646	0.8
142.09808	0.7
142.94952	1.4
143.00087	1.4
143.01917	0.9
143.03477	2.2
143.08560	1.4
144.98068	2.3
145.01509	2.3
146.99631	5.8
148.01990	1.9
148.03920	76.0
149.01190	1.1
149.02356	2.3
149.04196	1.4
153.00703	1.0
153.05521	0.9
154.02054	1.7
154.07291	2.2
155.98140	2.8
156.08929	2.6
157.10133	1.6
158.99654	2.2
159.97639	0.8
160.02797	1.1
160.04543	4.4
160.96072	3.7
160.97343	0.8
160.98782	1.5
161.01251	5.2
161.02921	4.6
161.04126	1.3
161.04669	1.1
162.99103	3.9
163.02589	1.8
165.00734	1.7
165.05154	1.1
165.96523	2.7
166.04990	100.0
166.09709	2.4
167.03406	3.7
167.05406	2.3
167.08260	1.0
168.08812	0.7
169.09651	4.2
170.99522	0.7
173.01169	1.1
174.53455	0.8
177.00728	2.3
178.99805	1.4
179.02356	1.2
179.03989	4.8
179.05469	1.2
181.00188	2.0
183.97659	3.2
184.02919	1.1
184.04369	1.0
184.04688	0.8
184.06020	17.1
184.07391	6.7
184.09630	2.7
184.10905	1.7
184.12132	4.2
184.13373	1.0
184.16875	0.7
185.01143	1.2
185.04497	1.0
185.09375	1.0
185.13272	2.9
189.00691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20182	0.2
50.41331	0.2
52.39463	0.2
56.05025	0.7
56.96567	0.3
58.99854	0.3
63.51955	0.2
64.55730	0.2
67.05504	0.2
70.69244	0.5
82.01426	0.4
82.99804	1.2
83.06098	2.3
95.04971	0.3
98.97575	0.5
98.98476	0.3
100.02478	2.0
100.97163	0.4
101.00867	17.7
102.00948	0.2
105.03385	0.6
116.98635	0.4
118.03516	6.3
118.11821	0.2
119.01910	100.0
120.01943	1.1
121.02355	0.5
123.04414	0.3
124.02426	3.1
136.04547	4.0
137.02945	36.4
138.03145	0.3
141.05058	1.0
142.03488	43.5
143.01868	0.3
143.03683	1.0
153.06938	0.3
156.05090	0.4
158.06592	0.3
159.06139	2.1
160.04541	47.1
161.02933	5.6
161.04591	1.6
165.05077	1.9
168.09322	0.4
174.06223	0.2
177.00932	0.8
178.05595	15.7
179.03998	8.6
179.05534	0.6
183.04576	0.3
183.06158	4.2
183.11588	0.5
184.04549	0.8
184.06105	0.2
201.07205	3.3
202.05589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
51.74626	0.5
53.03945	5.2
55.01860	1.5
55.05487	1.0
57.03412	2.2
57.07057	1.3
57.96570	0.6
65.03912	2.0
67.01843	1.2
67.05493	6.0
68.46835	0.7
68.99784	12.0
69.03412	2.6
69.07066	1.6
70.35490	2.8
71.04980	0.8
77.03933	0.7
79.05479	8.2
81.03011	0.7
81.03408	8.0
81.07047	15.7
85.02911	0.6
85.06522	0.6
91.05473	12.0
93.07021	1.5
93.66656	0.6
94.04186	0.9
95.04962	20.3
95.08566	2.4
97.02875	0.6
97.06499	1.8
98.21378	0.8
98.98452	11.5
99.04414	0.7
101.95022	3.5
105.03389	14.7
105.04466	1.4
105.06992	1.2
107.04935	2.3
107.08542	0.6
109.06509	16.2
109.10134	1.8
115.05430	0.7
119.04926	11.0
119.08556	1.8
119.96049	2.5
123.04420	16.3
123.08067	10.5
123.11683	1.4
125.02338	1.2
125.06052	0.8
127.01544	2.0
128.06265	1.0
129.06970	1.1
133.02859	1.1
137.05963	66.6
137.09570	2.0
137.97090	2.8
138.06339	1.6
140.04662	3.6
141.05452	10.2
141.06999	2.6
142.07767	2.7
143.08534	1.0
147.04410	2.2
149.68578	0.7
150.03120	3.1
152.04910	0.6
152.06119	0.9
153.01833	0.7
153.06969	10.8
154.07655	1.2
155.07031	2.5
155.08528	10.4
155.98058	1.0
163.03906	0.7
165.05464	100.0
166.05827	2.2
167.08551	2.4
168.09328	21.2
183.06519	71.8
183.07979	3.7
183.09998	1.8
183.11671	19.7
184.06918	1.2
200.27850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01873	17.3
55.05519	1.1
56.05011	1.1
56.96561	17.0
57.03431	35.7
58.03785	1.2
58.99850	4.2
59.05003	1.1
60.08173	1.9
61.02619	1.5
61.02922	24.9
65.03927	1.3
66.75085	0.9
67.05497	3.5
68.98273	0.9
69.03426	40.3
69.83712	3.9
69.84123	1.9
70.03752	1.4
70.99868	1.9
71.01345	3.4
71.04985	4.0
71.95262	0.9
73.02914	71.6
74.03237	2.5
77.00890	3.6
81.01901	2.4
81.03416	14.7
82.02667	1.5
82.99838	2.9
83.01335	1.1
83.04976	3.3
84.96010	1.8
85.02898	50.8
86.03247	1.3
86.03689	2.1
86.09702	5.0
86.99342	1.8
87.01882	2.7
87.04479	2.1
88.02666	5.6
89.00876	1.7
90.02415	1.1
91.03957	1.0
91.05437	1.0
92.01320	0.9
92.02966	1.1
92.05801	1.5
93.01888	6.2
94.01786	1.1
94.02676	4.9
95.04961	7.5
96.01545	1.0
96.02405	4.3
96.52588	1.1
97.01422	1.3
97.02253	1.9
97.02878	38.8
98.03207	1.9
98.97581	8.3
98.98447	3.0
99.01937	1.7
99.04447	8.8
100.02663	5.5
100.52731	0.9
101.00873	35.7
101.02388	1.6
101.03436	1.9
102.00977	2.9
102.02392	17.3
102.52482	2.7
103.02457	2.2
103.03186	2.5
103.03923	1.1
105.00343	2.3
105.02030	1.1
105.03452	4.3
106.02665	3.1
107.01836	1.0
107.03424	1.7
108.02390	9.5
108.52433	1.1
109.02955	6.4
109.03866	0.9
109.53325	1.3
110.01315	1.1
110.04023	1.1
110.97552	3.2
111.02108	2.2
111.02915	15.5
111.04427	1.3
111.53003	3.8
112.02675	1.9
113.00852	10.8
113.53204	0.9
114.00876	1.2
114.02413	5.3
114.52515	1.5
115.00607	1.3
115.02411	6.3
115.03181	3.9
115.03931	2.1
116.98637	5.8
117.02914	5.5
118.01109	2.0
118.03609	1.6
119.01908	100.0
120.01913	6.3
120.03443	2.6
120.53822	1.0
121.01665	2.0
121.03214	2.7
122.53699	1.7
123.02930	9.8
123.04402	4.5
123.53009	1.2
124.02472	1.7
124.03719	1.3
124.04759	1.7
124.99981	4.2
125.01771	1.0
127.02416	4.7
127.03213	0.8
127.03914	14.5
128.02309	7.3
128.98579	4.4
129.02898	7.1
129.03954	2.4
129.53009	2.4
130.03662	2.1
131.01894	56.5
132.01968	6.1
132.03435	8.4
132.53519	2.0
133.01624	3.4
133.03462	9.3
134.02216	1.0
134.53734	1.1
134.99623	2.8
135.02927	5.0
136.03720	2.1
137.02953	19.4
137.07941	6.6
138.03409	11.1
138.53572	2.1
139.00642	1.2
139.02438	2.2
139.04128	1.5
140.04640	1.0
141.03934	2.1
142.03488	9.9
143.01889	46.5
144.01888	5.8
144.03430	2.9
144.53580	1.1
145.01665	2.0
145.03435	27.7
145.04977	1.7
145.53160	1.1
146.03554	5.3
146.99648	3.4
147.01352	5.9
147.03947	4.2
147.05026	2.5
148.04749	1.1
149.02953	9.1
149.54210	2.1
153.03946	3.9
153.06989	3.5
154.03519	1.8
155.01883	41.5
155.07077	1.5
155.08531	3.5
155.54254	1.0
156.01950	4.5
157.01630	1.3
157.02074	1.4
157.03462	21.0
158.03598	3.1
158.54788	1.4
159.05067	1.5
160.04567	4.0
161.01434	2.1
161.02950	63.1
162.03110	8.0
162.04420	1.8
163.02655	2.0
163.04526	5.7
166.08641	4.1
167.01906	13.4
168.02107	2.0
168.05182	1.3
168.09344	6.1
169.01715	1.3
169.03459	3.6
169.31187	0.8
171.01198	1.0
171.05003	1.8
173.02957	68.8
174.03117	8.6
174.60565	0.9
175.02751	2.4
175.04533	6.1
178.05647	1.1
179.02011	1.1
179.04013	2.8
181.03523	1.7
183.02916	0.9
183.04939	0.9
183.06474	1.4
183.08376	3.1
183.11636	6.6
184.04594	4.3
184.07301	4.2
184.09685	0.9
185.02951	47.3
186.03053	6.7
187.02768	2.3
187.04514	4.4
187.06038	0.9
189.02405	1.8
191.04005	6.8
196.04541	3.7
197.02985	6.8
198.03297	1.4
199.04466	2.0
203.02347	0.9
203.03989	22.0
204.04152	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	183.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03741	2.4
53.03928	7.6
55.01870	20.5
56.96554	5.7
57.03168	3.3
57.03431	50.3
58.99846	5.4
61.02921	29.8
69.03423	40.4
70.02760	13.5
70.03148	4.2
70.99816	3.6
71.01329	3.6
71.04973	3.3
73.02911	92.2
74.13129	2.2
77.00907	5.5
81.03407	15.4
83.04910	2.4
85.02900	63.9
86.03192	4.7
86.99287	4.8
87.01888	3.8
88.02665	6.3
88.52683	2.5
88.75537	2.5
94.02660	8.4
95.04973	2.7
96.02351	3.6
96.82854	2.4
97.01402	2.3
97.02883	44.7
98.20785	4.0
98.97566	6.6
99.01848	2.8
99.04427	8.6
100.02647	5.4
101.00877	39.1
102.02412	20.4
102.52563	2.4
106.02650	3.0
107.03445	3.8
108.02405	5.5
109.02953	9.7
111.02914	27.0
111.52979	3.0
113.00877	12.1
114.01025	2.5
114.02394	3.1
115.02415	10.0
115.03170	7.8
115.03884	2.6
116.98646	3.2
117.02908	8.5
118.01070	2.6
118.03724	3.0
119.01913	100.0
120.02039	8.4
120.03400	5.8
121.01699	2.5
121.03170	5.0
123.02920	15.6
123.53030	2.6
125.00871	3.3
126.03384	2.8
127.02435	2.9
127.03921	18.4
128.02316	4.5
129.02888	7.3
129.03941	5.2
131.01898	58.5
132.01973	5.5
132.03401	9.9
133.03436	8.6
135.02934	6.7
137.02977	14.9
137.07928	8.2
138.03413	14.6
142.03482	8.5
143.01878	58.4
144.02097	6.6
144.03459	8.1
145.01706	3.4
145.03441	36.0
146.03575	4.4
147.01364	8.4
147.03908	9.4
147.04956	3.7
149.02922	9.7
150.03145	2.3
153.03937	7.5
153.53957	2.6
155.01874	50.1
156.02100	7.2
157.01567	2.7
157.03464	23.4
160.04533	5.3
161.02946	72.4
161.04276	4.0
162.03084	9.7
163.02702	2.9
163.04482	8.7
166.08611	9.0
167.01927	13.9
169.03432	5.2
171.04980	2.7
173.02950	87.0
174.03023	10.3
175.04497	5.1
179.03935	2.6
181.03456	2.8
183.11615	3.9
184.04501	5.2
185.02953	60.0
186.03113	8.7
187.04459	4.7
191.03986	7.1
196.04482	3.3
196.85353	2.6
197.02939	9.1
197.82846	2.2
199.04445	4.3
203.03999	33.6
204.04172	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	183.0286
Annotation	Fomecin B
Peak:m/z	Relative Intensity
50.01590	0.3
51.02364	0.5
51.47502	0.2
53.00300	0.5
53.03931	0.7
55.01862	0.8
56.96547	0.6
57.03426	0.3
57.07064	0.4
63.47669	0.1
65.03935	0.2
66.01097	0.2
67.01859	1.1
67.05493	0.3
67.59989	0.2
68.99783	16.2
69.03418	0.7
70.00184	0.2
70.00562	0.8
71.01345	0.4
71.04977	0.4
72.23282	0.1
79.01851	4.4
79.05482	0.2
81.03413	1.7
81.07035	0.5
83.01340	0.3
83.08614	0.2
84.02120	1.7
85.02889	0.3
85.06532	0.3
88.01611	0.2
91.05487	0.3
95.01321	0.7
95.04964	1.5
95.08598	0.3
97.02887	3.7
98.98464	2.0
99.04436	0.6
101.94994	0.9
105.03384	2.5
105.04487	0.1
105.06997	0.3
107.01312	1.1
109.02866	2.6
109.06484	0.2
112.01561	1.2
115.00471	0.2
115.05470	0.2
119.96042	0.5
123.00774	0.6
123.04411	1.0
123.07977	0.2
125.02329	1.8
127.01588	0.3
127.03040	0.2
127.03851	0.8
137.02315	1.6
137.05994	0.3
137.09625	0.1
137.97101	0.6
138.00790	0.2
140.01033	11.6
140.04611	0.3
141.01418	0.2
141.06990	0.6
142.07756	0.3
143.03378	2.3
153.01793	0.4
153.02940	0.7
153.06981	1.5
155.02242	0.4
155.03381	1.6
155.07231	0.3
155.08519	1.6
155.98155	0.1
158.87872	0.1
160.98808	0.2
165.01785	0.4
165.05492	0.2
165.06969	0.2
165.14526	0.2
167.08568	0.4
168.00528	15.5
168.09326	3.3
169.00919	0.3
181.06364	0.2
183.02876	100.0
183.11678	3.7
184.03214	2.9
186.01578	30.9
187.01961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03926	0.8
55.01856	1.3
55.05505	7.6
56.05035	0.7
56.96537	0.7
57.03421	1.3
57.07053	3.1
58.02957	36.8
62.16910	0.7
67.05154	1.4
67.05500	24.6
69.03422	0.8
69.07063	65.9
70.06573	3.3
70.07392	1.0
70.17757	3.3
72.08139	1.1
74.06066	1.7
79.05485	6.6
81.07050	21.9
83.04959	1.2
83.08611	8.8
84.08145	8.3
86.06059	1.6
91.05460	5.0
93.07039	10.9
95.04953	3.0
95.08596	7.7
96.08128	1.4
97.06528	4.2
98.06042	2.7
98.09669	2.5
98.97551	1.1
99.97884	0.9
100.07613	6.0
105.03372	2.3
105.06364	1.0
105.07027	14.5
107.08590	18.8
108.08125	0.8
108.08871	0.7
109.06510	3.4
109.10146	51.7
111.08079	0.9
112.07595	2.0
114.09157	15.5
116.98632	1.2
119.08575	2.3
121.10146	2.3
123.04448	0.8
123.08077	1.0
123.11693	9.7
126.09139	13.5
126.10065	0.8
126.12760	1.5
133.10121	29.9
135.11679	20.8
137.13237	1.0
138.12769	22.2
140.10632	1.3
140.14464	0.8
147.11674	5.9
151.11159	8.6
153.06963	1.0
153.12717	12.4
154.15862	1.7
164.14359	2.2
165.12724	3.5
168.09303	2.1
182.15398	100.0
183.06549	1.3
183.11685	2.7
183.15768	2.9
196.14311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03949	1.6
55.01865	3.6
55.05528	0.7
56.05032	5.9
56.96560	15.9
56.96825	1.0
57.03434	8.5
58.99870	0.6
61.02923	4.8
63.92939	0.6
65.03939	1.1
67.05517	1.8
68.05017	0.5
69.03423	8.2
71.01360	0.8
71.04967	1.2
72.93769	0.6
73.02911	12.6
77.00912	1.1
77.03938	0.5
78.95283	1.5
81.03410	3.1
81.07034	1.1
82.02650	0.6
83.00790	0.9
83.04976	2.5
84.04501	0.5
84.96039	1.4
85.02894	9.6
87.04456	0.8
88.02677	1.1
90.01551	0.6
91.05474	29.0
92.01254	0.6
92.05819	0.9
93.01945	0.8
93.07050	1.0
94.06599	0.8
95.04960	17.9
95.08579	0.6
96.02413	0.7
96.08127	1.1
97.02890	7.0
98.01230	0.6
98.06056	0.7
98.97575	9.2
98.98463	1.5
99.04455	1.5
99.97932	0.8
100.02563	1.9
101.00861	3.5
102.01550	0.9
102.02403	2.8
103.02471	1.2
103.03124	0.6
103.05475	1.0
105.00340	0.6
105.03410	2.4
106.02689	0.7
107.04950	1.6
108.02405	1.4
108.04498	0.5
108.08087	3.8
109.02899	1.8
109.06514	1.7
110.01268	2.4
110.06046	0.6
110.97572	1.7
111.02064	1.7
111.02932	2.1
111.04440	1.2
112.07557	0.7
113.00846	1.2
113.02352	0.6
113.05987	0.5
114.02393	1.4
115.02445	1.2
115.03209	0.8
116.01212	0.7
116.98622	7.7
117.02963	0.6
118.03529	1.3
118.06528	2.2
119.01888	14.3
119.04932	33.8
119.97890	1.1
120.03450	0.7
120.05255	1.1
120.41810	0.5
121.06515	1.3
122.05981	0.7
122.94215	0.8
123.02950	2.6
123.04418	46.1
124.07580	1.2
127.02384	0.6
127.03921	2.6
128.02281	4.5
128.98564	3.2
129.02914	1.6
131.00282	0.5
131.01886	10.4
131.02783	0.8
132.03450	0.6
133.01727	0.7
133.03426	1.5
134.99663	4.0
135.03058	0.5
135.99928	0.7
136.07564	100.0
137.01823	0.9
137.02917	2.7
137.06029	0.6
137.07939	2.6
138.03418	1.8
138.05473	1.0
139.03969	1.2
139.62553	0.5
140.04588	0.8
141.06955	0.7
142.03548	1.1
143.00130	1.4
143.01888	6.5
144.03445	1.2
144.98000	0.6
144.99783	1.2
145.01643	1.0
145.03436	7.1
146.03389	0.6
146.99634	3.3
147.01329	1.3
147.04388	10.9
148.04730	0.9
149.02876	2.4
153.06969	2.1
154.03473	2.7
154.08624	0.8
155.01877	5.1
155.07050	1.1
155.08527	2.2
157.03467	2.3
158.96251	0.8
158.99626	2.4
159.01482	0.7
159.03130	0.8
159.05063	0.6
160.04556	0.9
161.01254	1.5
161.02940	8.3
162.99161	1.2
163.04489	1.7
163.96889	0.7
164.04248	0.9
164.05656	1.2
164.07042	3.1
165.00647	0.6
165.05460	21.0
166.05849	0.6
166.08649	0.6
167.01978	1.4
168.09312	3.5
170.99716	0.5
171.05226	0.5
173.02950	9.4
175.04512	0.7
176.98395	1.0
177.00690	4.5
177.02377	1.7
181.97845	1.2
182.01080	0.9
182.02921	1.5
182.04649	1.8
182.08095	18.4
183.06378	0.5
183.08116	1.2
183.11690	3.6
185.02931	6.2
187.02861	0.5
187.04466	0.7
189.00691	1.4
189.02390	0.6
191.04036	1.2
195.01744	0.6
196.04514	1.2
197.02908	1.2
199.04442	0.6
200.04060	0.7
201.00656	2.1
203.03969	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	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
50.87120	0.4
50.96054	0.4
53.03931	0.7
55.05502	0.5
55.71885	0.4
56.96561	9.1
56.96827	0.7
57.03442	1.4
61.02942	0.6
62.21700	0.4
63.92942	1.1
65.03926	0.6
69.03441	1.5
70.19512	1.9
71.04993	0.6
73.02912	0.9
78.95266	2.7
81.07060	0.9
82.01436	0.4
83.06133	0.6
84.05820	0.4
84.96031	1.1
85.02909	1.3
88.99158	0.5
91.05473	26.3
92.05840	0.5
94.06547	0.6
94.81255	0.4
95.04957	11.6
97.02903	1.3
98.97588	4.9
99.97923	0.4
100.02485	1.5
101.00869	1.1
103.05475	1.1
105.03359	0.6
107.04946	1.2
108.08095	3.2
109.06505	1.2
110.97540	0.9
113.00813	0.7
115.00643	0.5
115.02461	0.5
116.98631	4.1
118.03532	0.6
118.06543	1.2
119.01913	2.7
119.04935	27.3
119.97857	3.0
120.05227	0.7
121.06516	0.7
122.78150	0.5
122.94205	1.9
123.04423	34.8
124.04761	0.8
127.03931	0.5
128.98564	0.9
131.01891	5.0
134.99648	2.0
136.07565	100.0
137.02928	0.8
137.05907	0.8
137.07895	3.0
139.96825	0.8
140.95279	1.3
140.98608	1.2
142.03485	1.7
143.00177	0.6
144.99911	0.9
147.03206	0.7
147.04395	12.0
148.04747	0.5
149.02940	1.3
153.00804	0.4
154.03476	2.4
158.96281	1.9
158.99614	2.8
159.03299	0.7
160.04596	2.1
161.01251	0.8
161.03084	0.6
163.96841	1.7
164.05652	4.3
164.07060	3.6
165.05458	17.0
167.08458	0.5
167.18414	0.5
168.01466	0.6
170.05275	0.6
172.04541	0.7
173.01456	0.5
173.02974	0.6
175.20485	0.5
177.00676	4.1
177.02338	1.6
177.53180	0.5
181.97897	1.7
182.06725	1.5
182.08107	17.0
183.11620	1.1
189.00740	0.7
189.56020	0.6
200.04034	1.1
201.00697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03936	3.5
55.01865	2.1
55.05505	37.8
56.05836	0.7
56.96549	3.0
57.03434	2.2
57.07072	14.3
59.04980	1.0
65.03926	2.3
65.12394	0.6
67.05501	17.8
69.03414	3.3
69.07061	5.7
69.43690	0.8
69.44093	5.9
71.01349	1.5
71.04990	2.9
71.95242	0.8
79.05484	13.2
80.32523	0.6
81.07048	13.1
82.40650	0.6
83.04973	18.6
83.08591	1.9
85.06528	5.4
91.05472	16.2
93.07035	39.8
94.07349	0.8
95.04958	8.6
95.08598	25.4
96.08937	0.6
97.06519	18.7
98.21534	1.3
98.97575	22.5
103.05463	0.7
105.04535	0.8
105.07026	12.9
106.07834	0.9
107.04923	3.3
107.08585	47.4
109.06502	8.8
109.10143	4.6
111.04431	100.0
111.08067	12.8
112.04774	1.4
113.05987	4.7
116.98607	18.0
116.99419	1.1
117.07025	3.8
119.06065	0.7
119.08553	5.2
120.09370	0.9
121.06507	7.6
121.10117	6.9
121.37369	0.6
122.07249	3.2
123.08036	3.6
125.05981	85.4
125.09605	1.6
126.06342	0.9
127.07560	3.3
129.06985	1.2
130.07784	4.7
134.99658	13.7
135.08037	31.8
135.11685	38.0
136.08420	0.9
136.12045	0.7
137.09602	1.1
137.13232	1.1
138.06729	7.5
139.07513	4.9
140.00148	1.1
143.08522	1.0
145.10103	25.8
146.10413	1.0
148.08835	1.2
153.00673	1.9
153.12737	8.7
158.01231	1.7
163.03902	1.0
163.11174	26.7
164.11501	0.8
165.07005	1.2
166.07761	0.7
172.15955	0.6
181.04951	11.6
181.12218	97.6
182.12593	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	181.1221
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03967	0.7
55.01892	2.1
55.05531	1.9
57.07072	20.7
58.55939	0.7
59.05016	2.9
62.02945	0.8
67.05528	2.3
69.03450	1.0
69.07053	3.6
69.50485	3.8
69.50920	3.0
71.05002	0.8
71.34466	0.6
73.66303	0.6
79.05492	8.1
81.03416	6.8
81.03843	0.8
81.07049	4.4
83.04974	46.4
87.55856	0.7
91.05468	4.3
93.07038	7.4
95.04964	15.6
95.05525	1.4
97.06526	24.5
98.12593	0.9
98.21484	1.4
98.97575	4.1
105.07021	5.0
107.04960	2.2
107.08590	10.6
109.06540	1.3
111.04479	1.5
116.98616	4.3
117.07018	1.9
119.08584	3.3
121.06522	3.3
121.10136	12.5
125.05984	60.6
126.06320	1.9
130.07759	2.3
134.99655	5.5
135.04420	1.4
135.08038	1.0
135.11665	6.7
140.00204	1.0
144.53362	0.7
145.10121	10.3
146.88313	0.7
153.00621	1.1
154.35934	0.7
158.01250	1.9
163.03894	1.1
163.11172	100.0
164.11516	2.5
165.06992	1.8
166.07756	2.2
181.04898	3.3
181.06401	0.9
181.08652	1.0
181.10123	3.1
181.12216	31.4
182.05814	1.2
182.12576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03935	0.7
55.01869	1.0
55.05492	1.8
56.96558	1.0
57.03442	0.8
57.07056	1.8
59.04997	3.7
67.05504	2.6
69.03413	1.7
69.07060	3.3
70.39106	2.2
71.04986	0.7
72.30663	0.5
73.02866	0.5
79.05492	6.6
81.07054	7.4
83.04965	0.8
83.08609	0.7
91.05492	3.0
93.07034	18.2
95.04974	0.7
95.08598	17.0
97.06531	2.6
98.97574	10.2
105.07031	3.0
107.04958	1.1
107.08586	32.2
108.08898	0.7
109.06512	0.8
109.10130	2.4
111.04417	1.4
111.08064	1.2
116.97272	0.6
116.98618	9.0
117.06998	0.8
119.08559	4.0
121.06500	4.0
121.10139	16.6
123.08052	4.4
125.05973	3.7
130.07756	0.8
134.99631	3.7
135.08086	1.2
135.11682	42.9
136.11995	0.7
137.09604	0.7
137.13232	1.4
139.07530	8.0
145.10117	12.5
153.12733	2.0
163.11172	28.6
164.11575	0.9
173.92740	0.5
181.12221	100.0
182.12575	4.0
198.43724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.38107	0.5
53.03962	1.7
55.01900	1.8
55.05523	1.8
56.06744	0.6
56.96565	0.8
57.03442	1.3
57.07069	24.4
59.05000	3.6
65.03958	0.7
67.05521	2.5
69.03441	1.9
69.07070	3.9
69.55487	5.7
71.05000	1.0
79.05484	10.5
81.03400	6.2
81.07050	5.6
83.04973	51.9
84.05297	0.7
85.06555	1.0
87.08254	0.5
91.05464	3.8
93.07037	11.5
93.07588	0.9
95.04958	17.3
95.08611	1.6
97.06521	26.8
98.97578	3.4
99.18032	0.6
105.07005	5.9
105.07516	0.5
107.04961	3.4
107.08585	13.8
109.06542	0.8
111.04449	1.1
111.08105	0.9
116.98598	5.8
117.06979	3.2
119.08576	4.0
121.06541	4.0
121.10120	14.6
123.08106	0.9
125.05978	67.2
126.06297	1.2
128.06195	0.7
129.07054	0.7
130.07770	2.2
133.10097	1.1
134.98692	1.0
134.99638	7.6
135.04456	1.0
135.08028	1.8
135.11696	7.1
140.00185	0.7
143.08539	0.9
145.10117	11.7
145.96872	0.6
152.07353	0.6
153.00659	1.2
158.01190	1.9
163.03850	1.9
163.11165	100.0
164.11554	3.2
165.07005	1.7
166.07642	1.7
176.02376	0.6
181.01205	0.6
181.04898	4.0
181.06427	1.4
181.08614	1.1
181.10162	3.2
181.12204	29.7
182.05753	2.2
182.12463	1.1
191.01500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03934	0.4
54.04719	0.2
55.01866	1.1
55.05507	0.2
56.96552	0.6
64.03152	0.3
65.03924	0.5
67.01865	0.3
67.05500	2.2
68.99771	1.2
69.03425	1.6
69.07072	0.2
71.01351	0.3
71.02032	0.4
71.02392	0.2
72.91903	0.1
79.05492	1.1
79.58343	0.1
81.03416	0.3
81.07037	0.2
82.04201	0.9
83.01337	9.9
83.04977	1.2
85.06523	0.2
91.05490	0.3
93.03400	0.3
93.07009	0.4
95.04958	2.0
96.02121	0.5
97.02889	0.6
97.06510	0.5
98.97577	4.1
107.04932	0.7
107.08595	0.2
110.03655	2.5
111.04443	1.0
116.72608	0.1
116.98611	3.5
121.02881	0.2
121.06625	0.1
121.10133	0.4
123.04425	0.3
124.89466	0.1
125.02372	0.8
125.05968	1.4
127.86877	0.2
134.99651	2.2
135.04384	0.5
135.08110	0.1
138.03110	20.8
139.03436	0.4
139.23871	0.1
140.00183	0.3
141.05470	0.8
151.03903	1.3
153.00745	0.3
153.01814	1.5
153.05482	0.8
153.06642	0.1
158.01242	0.3
163.03894	0.4
163.11211	0.4
165.06927	0.2
166.02612	9.4
166.07805	0.3
167.03027	0.2
179.03436	0.7
181.04948	100.0
182.05289	2.8
184.03662	16.8
185.04005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
51.02371	0.3
53.03942	1.2
55.01857	0.7
55.05520	0.4
56.05042	0.4
56.96554	0.6
59.06104	0.4
59.95286	0.2
65.03922	0.6
67.01868	0.4
67.05495	0.4
68.05020	0.5
68.99790	0.8
69.03416	0.7
70.39778	0.9
77.03931	0.6
79.05027	0.5
79.05486	8.9
80.05802	0.3
81.03398	0.7
81.04532	0.4
82.06549	0.4
83.04989	0.4
83.06101	0.7
84.04520	0.4
85.02890	0.7
85.07668	0.3
89.03903	4.0
89.32961	0.2
91.05453	0.9
93.07047	0.7
95.04954	2.9
95.06087	0.4
97.02876	0.9
97.06501	0.8
97.07668	0.2
98.97555	2.4
99.05537	0.4
105.04514	0.5
105.07013	0.3
107.04944	28.8
107.08569	0.8
108.05257	0.4
109.06490	0.3
109.07657	0.3
111.04428	0.9
116.98616	2.5
117.03362	6.4
119.04908	0.5
121.02831	0.4
121.06508	0.5
121.10114	0.7
122.07162	0.5
123.04415	1.3
123.09176	0.3
124.08687	0.3
125.05984	1.7
125.06767	0.3
134.99651	2.1
135.04401	47.0
135.11671	0.4
136.04712	1.3
136.08635	0.4
137.05963	1.4
139.03870	1.1
139.07529	0.4
140.08151	0.6
145.01697	0.5
145.02837	8.1
146.03200	0.3
151.03874	1.9
153.01886	0.3
153.05457	11.9
158.01247	0.3
163.03885	100.0
164.04247	3.7
164.08183	0.8
165.01826	0.4
165.06917	0.4
166.07713	0.3
181.04947	18.6
181.08484	0.6
181.10762	0.9
181.12251	0.9
182.09518	0.2
204.06816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
51.02377	0.2
53.00293	0.3
53.03947	1.2
55.01858	1.0
55.05488	0.6
56.96559	2.5
57.03423	0.5
57.07060	0.7
58.91641	0.2
65.03910	0.4
67.01862	0.2
67.05488	1.1
68.99781	2.1
69.03421	2.4
69.07056	1.1
69.36939	0.2
70.03759	0.2
71.72398	0.3
71.95263	0.4
77.00275	0.8
77.03920	0.3
79.01853	0.2
79.05486	5.7
80.93031	0.2
81.03360	0.4
81.07038	0.7
83.01333	12.7
83.04974	1.4
84.01707	0.2
85.02879	0.5
87.94647	0.2
91.05460	0.5
92.99197	0.2
92.99754	3.0
93.07030	1.0
95.01323	0.3
95.04958	2.7
95.08581	0.4
97.02884	5.1
97.06519	4.5
98.97571	11.9
103.05421	0.2
104.99768	1.0
105.04535	0.3
105.07009	0.3
107.01297	0.5
107.04950	4.2
107.08591	1.1
109.02842	0.3
109.06586	0.2
110.03616	0.5
111.04433	0.6
116.98607	16.1
117.06970	0.2
119.08574	0.4
121.06471	0.5
121.10123	1.0
123.04429	0.2
123.08070	0.2
124.05206	0.2
124.07571	0.2
125.02341	4.8
125.05971	4.7
134.99644	15.7
135.04398	1.7
135.08003	1.0
135.11647	0.5
137.02328	0.5
137.05855	0.2
138.03104	0.7
139.03847	0.5
140.00168	1.7
145.06494	0.2
145.10135	0.4
152.06192	0.5
153.00673	2.9
153.01814	11.0
153.05443	1.3
153.06950	0.5
154.02113	0.3
155.03294	0.2
155.65660	0.2
158.01233	3.3
163.03873	0.9
163.11150	2.0
165.07018	0.4
166.02621	0.3
166.07759	0.6
167.94345	0.2
171.02852	1.4
176.02286	0.5
179.03421	1.3
181.04936	100.0
181.12132	2.2
182.00815	0.2
182.05292	3.0
184.03615	0.5
197.04388	0.5
199.02344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0491
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
51.02374	0.2
53.00291	0.2
53.03937	1.0
55.01853	0.9
55.05495	0.3
56.96557	1.5
57.03417	0.4
57.07065	0.1
59.00286	0.1
59.04997	0.1
65.03934	0.8
67.01842	0.3
67.05496	3.9
68.99789	0.5
69.03422	1.7
69.07061	1.3
71.95263	0.3
77.03925	0.3
79.05482	5.6
80.05805	0.1
81.03413	0.3
81.07043	0.4
83.01331	5.1
83.04974	1.0
84.17377	0.1
84.77079	0.1
85.02889	0.4
91.05464	0.3
93.07024	0.4
95.04957	3.1
95.08593	0.2
97.02879	4.8
97.05882	0.2
97.06521	3.7
98.97571	8.0
105.04520	0.5
105.07007	0.2
107.04939	4.0
107.08584	0.5
110.03642	0.5
111.04433	0.5
112.83212	0.1
115.03889	0.1
116.98609	9.3
121.06498	0.1
121.10113	0.3
123.04354	0.1
123.08091	0.2
124.05161	0.2
125.05978	3.8
134.99643	8.5
135.04393	1.4
135.08046	0.2
135.11649	0.3
135.90790	0.1
139.03864	0.2
140.00177	0.9
145.10098	0.1
151.03873	0.3
153.00716	1.5
153.01862	0.2
153.05443	1.8
158.01222	1.6
163.03871	1.0
163.11168	1.0
165.06984	0.2
166.07770	0.3
169.04926	0.1
176.02328	0.3
179.03374	1.1
181.04936	100.0
181.12048	0.8
182.05298	3.0
197.04491	0.6
199.06004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
52.69553	0.2
53.03925	0.4
55.01864	1.2
55.05491	0.5
56.90928	0.2
56.96557	4.2
57.07066	0.4
64.03133	0.3
65.03924	0.8
67.01832	0.4
67.05495	2.6
68.99785	1.3
69.03413	1.8
69.07059	0.6
70.77797	0.4
70.78180	0.5
71.01336	0.5
71.95235	0.8
74.33227	0.3
79.05492	2.3
81.03394	0.6
81.07034	0.8
82.04175	0.8
83.01330	9.0
83.04971	2.1
91.05474	0.6
93.03386	0.4
93.07017	1.2
95.04947	2.7
95.08575	0.7
96.02077	0.3
97.02856	0.8
97.06525	1.6
98.97569	17.3
105.06984	0.4
107.04927	1.0
107.08583	1.7
109.10129	0.4
110.03642	2.1
111.04428	1.6
116.98608	22.3
117.06992	0.2
119.58662	0.2
121.06503	0.5
121.10112	1.2
123.04491	0.3
123.07993	0.3
125.02327	1.1
125.05967	3.3
125.09592	0.2
134.99640	21.9
135.04332	1.2
135.08009	0.5
135.11661	1.1
138.03104	17.2
139.03847	0.6
139.07468	0.3
140.00180	2.2
141.05460	0.9
145.10091	0.9
151.03922	1.3
153.00697	4.3
153.01826	0.7
153.05463	1.1
153.06889	0.5
158.01222	4.4
163.03888	0.9
163.07541	0.4
163.11166	3.0
165.06897	0.4
166.02611	5.3
166.07759	1.0
176.02261	0.9
179.03413	0.9
181.04935	100.0
181.12111	2.1
182.05350	2.4
184.03648	16.6
185.04198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01870	18.7
55.05499	7.2
56.05029	3.6
56.96564	22.9
57.03421	11.5
60.04501	6.2
61.02919	10.2
65.84945	3.1
67.05491	10.4
69.03419	51.9
69.50605	35.1
70.06577	4.5
71.05003	4.9
72.04508	14.2
73.02898	11.3
74.06084	4.1
79.05489	18.9
80.05014	11.3
81.03397	9.8
81.07055	5.0
82.06588	3.9
83.03653	2.9
83.04972	10.1
84.04492	4.6
84.08134	4.4
85.02898	100.0
88.03970	4.0
91.05473	9.0
92.04975	4.4
92.05811	4.0
93.07033	7.8
94.06554	4.2
95.01316	4.4
95.04951	10.4
95.08602	3.2
96.04494	6.8
97.02895	27.6
98.21481	6.9
98.97566	5.4
99.04447	10.3
101.02375	7.8
106.06545	23.6
106.07223	4.4
107.04954	6.2
107.08590	5.1
108.04470	57.2
109.02865	5.5
110.06039	6.3
111.04419	7.0
112.07597	7.7
114.05507	3.9
116.98644	7.0
119.01915	10.3
120.05247	5.5
120.08091	7.3
121.02876	8.0
121.06483	5.7
122.05966	3.4
125.05938	4.4
127.03902	77.7
133.03461	4.0
134.05975	36.8
134.06743	3.3
134.99690	3.9
135.04378	6.9
137.05983	7.1
138.05423	4.6
138.09174	5.7
145.03465	3.4
145.04964	25.2
148.04718	10.6
152.07053	32.7
156.97452	4.3
157.03419	6.3
162.05505	12.0
162.09058	19.2
163.03902	10.5
163.07483	4.2
165.09137	13.5
180.03767	11.3
180.06433	46.5
180.08890	4.2
180.10199	8.1
180.17430	5.2
181.01160	4.5
181.02621	8.3
181.04927	12.5
181.06401	5.3
181.10077	5.3
181.12090	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03923	3.1
55.01858	4.7
55.05505	16.4
57.03440	5.6
57.07085	6.0
57.07320	1.0
59.04989	1.1
61.44318	1.0
65.03928	2.0
67.05499	88.0
69.03427	7.5
69.07061	14.5
69.69633	8.7
71.04993	7.4
72.75529	1.0
75.33873	1.3
79.05489	20.9
81.03407	5.2
81.07048	58.4
83.04952	4.3
83.08599	3.2
85.06552	2.0
85.10172	1.5
91.05474	20.2
93.07036	27.8
95.04961	22.9
95.08598	100.0
96.08929	2.2
97.06519	3.1
98.98440	1.5
105.07021	20.5
107.04955	2.1
107.08585	15.3
109.06519	10.2
109.10144	51.0
109.10892	2.5
109.65473	1.0
115.05439	1.0
117.06955	2.4
119.04966	6.1
119.08568	19.8
121.10123	7.0
123.04392	3.6
123.08059	18.4
123.11645	2.7
133.06485	3.0
133.10118	8.8
135.11646	5.3
137.09616	17.9
137.13234	2.4
146.03659	1.4
147.04376	8.6
151.03860	1.8
151.11234	1.6
151.14824	8.1
161.05937	4.4
161.13229	9.9
176.51834	1.2
179.03394	13.4
179.06837	4.4
179.10796	2.5
179.14299	51.8
180.08047	1.8
180.10294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.00307	0.7
53.03952	1.7
55.01869	4.2
55.05503	6.8
57.03431	8.5
57.07081	1.6
60.51968	0.6
65.03938	1.4
67.05502	39.3
69.03426	2.7
69.07064	10.1
71.04667	0.6
71.04974	3.8
71.49892	1.4
77.03935	0.7
79.05487	27.2
81.03392	0.8
81.07051	100.0
82.07388	1.7
83.04975	6.6
83.08618	4.1
85.06537	8.4
91.05476	33.4
93.07037	41.2
94.07340	1.2
95.04958	6.1
95.08600	75.7
96.08913	1.4
97.06524	19.7
99.08082	10.5
103.05443	0.7
103.36573	0.7
105.03391	0.9
105.07026	41.0
106.07409	0.7
107.08589	17.9
108.04464	0.7
109.06516	7.4
109.10149	6.8
111.08079	5.9
113.09615	1.3
117.07030	2.3
119.04932	4.0
119.08573	56.8
120.08936	1.3
121.09264	1.2
121.10139	18.5
122.10422	1.0
123.04425	2.8
123.08067	10.1
123.11716	1.2
130.31721	0.7
131.08548	1.4
133.02826	1.1
133.06544	1.6
133.10123	34.8
134.10475	1.0
135.11685	35.1
136.11966	0.9
137.09644	4.2
137.13245	2.2
147.04385	3.6
151.03906	2.2
151.11182	1.8
161.05957	2.4
161.13251	92.8
162.13507	3.1
177.44958	0.7
179.03345	4.9
179.06834	2.1
179.10805	1.9
179.14299	98.5
180.06482	1.2
180.14700	3.6
191.28601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	5.0
53.73465	1.3
55.01879	7.9
55.05509	20.7
55.72913	1.4
57.03431	3.8
57.07077	8.2
61.07674	1.2
62.31253	1.4
65.03932	2.0
66.04707	1.3
67.05501	60.4
68.16460	1.3
68.99783	1.2
69.03424	6.7
69.07063	13.4
71.04985	4.8
71.61898	2.6
79.05491	24.1
81.03403	4.9
81.07051	100.0
82.04203	1.5
82.07388	1.6
83.04989	2.0
83.08620	5.8
85.06551	2.9
85.10192	1.6
91.05479	19.6
93.07037	28.3
95.04968	28.0
95.08600	79.8
96.05746	4.6
96.08916	2.1
97.02846	1.2
97.06521	4.7
105.03381	1.5
105.07024	25.9
107.08578	13.0
109.06518	22.9
109.10152	24.2
117.07032	2.0
119.04953	6.7
119.08582	18.2
121.10155	8.3
123.04449	6.9
123.08059	22.2
123.11737	1.5
124.05216	17.7
133.02878	2.8
133.06505	3.5
133.10106	9.4
135.04335	1.3
135.11639	6.2
136.05202	1.5
137.06015	1.8
137.09634	8.1
139.03906	2.7
142.24472	1.3
147.04411	9.6
151.03882	3.5
151.07494	1.7
151.14828	4.8
161.05986	5.3
161.09555	1.9
161.13257	10.2
164.04050	1.7
167.03404	15.8
176.29208	1.4
179.03400	18.4
179.06577	4.5
179.08594	1.4
179.10721	4.3
179.14297	34.4
180.03868	1.6
180.06572	2.5
180.08002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03929	4.7
55.01632	2.0
55.01865	21.4
55.05497	4.4
56.05022	1.7
56.96555	1.5
57.03425	2.0
59.04998	1.4
65.03943	6.6
67.05190	1.7
67.05505	18.6
68.05009	3.0
68.99774	3.4
69.03397	2.9
69.07047	2.4
71.01328	1.5
71.04984	1.5
71.72391	1.4
71.72764	1.9
72.04501	2.0
73.60684	1.4
76.02208	4.2
77.03917	2.4
79.05486	18.4
80.05019	2.1
80.05791	1.5
81.03423	2.3
81.04521	1.6
81.07044	18.1
83.04990	3.0
83.06092	3.2
85.02890	1.3
85.06525	1.7
89.03897	1.6
91.05474	50.0
91.06049	2.7
93.07043	12.7
95.04962	25.9
95.06075	5.8
95.08603	15.1
97.02882	2.0
97.06464	3.7
97.07628	1.7
98.98470	1.6
99.08070	2.5
103.05456	5.9
105.03385	10.7
105.04474	1.8
105.07024	35.5
106.06571	2.5
107.04967	3.5
107.08573	8.4
108.04463	4.4
108.05712	3.7
109.02837	3.4
109.06518	5.5
109.07618	2.3
109.10179	7.0
110.03636	4.0
110.07175	1.6
111.04449	1.8
111.08105	2.1
115.05441	4.5
117.06994	1.7
118.04141	3.2
119.04937	50.2
119.08539	10.7
120.05656	1.7
120.08088	2.9
121.02853	3.9
121.06505	6.1
121.10136	4.8
123.04422	100.0
123.08053	12.9
123.11669	1.7
124.04765	2.0
131.08557	1.6
132.05666	1.3
133.02827	11.8
133.06488	17.5
133.10117	18.4
134.07103	2.1
135.04375	2.8
135.07961	1.6
135.11728	2.5
136.02150	2.2
136.05212	6.7
136.08749	1.8
137.05974	13.8
137.08197	8.4
137.09554	3.6
138.06567	2.2
139.01656	2.2
146.03621	6.2
146.07237	1.5
147.04404	62.2
148.04677	1.8
151.03900	34.6
151.06367	2.5
151.07533	35.5
151.11172	4.1
152.08115	2.3
158.03229	1.6
161.02362	2.9
161.05984	26.6
161.07150	3.2
161.09569	6.7
161.13239	7.2
162.06613	1.8
162.09155	1.8
164.04018	2.5
179.03398	76.0
179.07071	66.5
179.09296	4.5
179.10570	17.0
179.14256	11.4
180.03833	2.4
180.06473	2.4
180.10248	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	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
50.53507	0.6
51.14889	0.6
53.03902	1.5
55.01806	30.9
55.02104	3.3
55.05458	1.5
55.66185	0.6
56.05000	0.8
56.67792	0.5
56.91948	0.5
57.03385	1.1
63.65254	0.7
64.56194	0.5
65.03870	2.6
67.05499	5.7
68.04971	0.7
68.99738	1.7
69.03374	1.6
69.07031	1.4
71.04958	1.0
71.44035	1.4
76.02142	0.6
77.03893	1.1
79.05482	7.5
80.06194	1.0
81.04544	0.7
81.07051	10.6
81.68996	0.6
83.04939	1.4
83.06040	1.1
90.04662	0.6
91.05471	53.4
92.05753	1.2
93.07036	3.9
94.04144	0.9
95.04960	7.3
95.06075	3.0
95.08607	5.6
97.03964	0.8
97.06460	1.0
103.05480	6.3
105.03369	3.3
105.04475	0.8
105.07021	28.0
106.06561	0.9
106.07286	0.8
107.04922	3.8
107.08562	4.0
108.04440	1.0
108.05667	1.9
109.02857	1.3
109.06509	5.1
109.10094	2.6
110.06226	0.7
110.07093	1.6
111.04388	1.3
115.05447	4.4
118.04127	6.1
118.24526	0.6
119.04935	64.2
119.08570	5.2
120.05368	1.9
121.06483	1.6
121.10114	2.7
122.03622	1.2
122.07139	0.9
123.04420	15.5
123.08057	3.9
123.11674	0.7
131.04907	1.7
131.08575	0.9
133.02861	4.8
133.06477	26.0
133.10110	8.3
134.06984	1.2
135.04381	2.8
135.07982	0.7
135.11682	2.7
136.05180	11.1
137.05974	18.1
137.08217	5.9
137.09599	2.3
137.13251	0.8
138.06540	1.1
146.03612	14.6
147.04395	100.0
148.04752	2.7
149.05983	0.8
150.06706	1.2
151.03905	8.8
151.07545	4.5
151.11169	1.7
161.02357	1.8
161.05966	53.2
161.09509	3.7
161.13211	3.6
162.05342	0.8
162.06502	1.1
163.03859	1.3
164.04672	2.9
179.01799	0.9
179.03392	20.6
179.07051	39.3
179.09166	1.8
179.10513	6.2
179.12856	1.1
179.14270	7.7
180.03891	0.8
180.07529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.63873	0.3
51.02364	0.4
51.26655	0.4
53.03938	0.6
55.01871	3.7
55.05502	2.9
56.96567	0.6
57.03423	0.7
57.07075	0.8
59.05006	0.4
63.04867	0.4
65.03939	2.0
67.05494	6.5
68.05023	0.4
68.99783	0.4
69.03419	1.1
69.07056	1.1
70.48873	0.4
70.49221	1.4
71.04982	0.5
76.02211	1.2
77.03837	0.4
79.05491	4.4
80.04993	0.4
81.03437	0.6
81.07050	7.4
83.04970	1.0
83.08645	0.4
85.77457	0.4
89.03908	0.5
91.05470	26.1
93.07044	3.7
94.04140	0.5
95.04962	3.3
95.06071	0.9
95.08594	7.7
97.06499	0.7
98.98485	0.4
103.05451	1.2
105.03387	1.9
105.04488	0.4
105.07014	10.8
107.04955	1.1
107.08584	3.2
108.04521	0.6
108.05708	0.5
109.06509	3.0
109.10144	3.3
110.07157	0.6
111.08103	0.5
112.07607	0.4
115.05408	0.8
117.07017	0.6
118.04134	0.7
119.04932	47.6
119.08562	3.6
120.05324	1.3
121.06459	0.7
121.10123	1.4
123.04424	7.4
123.08051	3.4
123.11689	0.5
123.12955	0.3
131.08559	0.9
133.02847	3.3
133.06476	7.4
133.07402	0.6
133.10135	6.9
134.06972	0.5
135.04420	0.9
135.08051	0.3
135.11681	1.2
136.02170	1.0
136.05177	1.1
136.08833	0.3
137.05946	5.1
137.08237	2.1
137.09598	1.7
138.06572	0.5
138.09151	0.5
146.03607	1.2
147.04395	100.0
148.04750	2.4
151.03900	5.2
151.07516	3.4
151.11174	1.2
152.07040	0.5
161.02299	0.4
161.05971	6.0
161.09531	2.0
161.13205	1.7
162.06810	0.4
162.09019	0.4
163.07469	0.5
164.04039	0.4
179.03383	16.1
179.07123	12.5
179.08804	0.6
179.09357	0.6
179.10564	3.8
179.14273	3.9
180.03882	0.4
180.06401	0.5
180.07976	1.1
180.09969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03938	1.0
55.05506	10.9
57.07067	2.0
65.03939	0.7
67.05500	5.6
67.52560	0.4
69.07059	25.7
71.00196	1.4
71.08646	0.8
79.05482	12.9
81.07047	13.8
83.08611	14.9
89.03886	1.1
91.05463	6.8
93.07034	32.4
94.07348	0.6
95.04945	1.4
95.08593	37.2
96.08949	0.6
97.10143	2.4
103.05386	0.5
105.04501	0.7
105.07005	6.0
107.08580	66.6
108.08900	0.6
109.06508	1.4
109.10138	12.2
112.70953	0.5
117.03387	1.2
119.08570	2.2
121.10126	100.0
122.10406	2.4
123.08066	1.3
133.10101	0.9
135.11673	15.0
145.02855	1.3
149.05954	1.1
149.13251	5.4
166.01421	0.4
177.05399	1.0
177.16368	48.7
178.16711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03928	1.8
55.01868	1.4
55.05509	13.0
55.32955	1.4
57.07066	8.4
67.05507	8.9
67.83011	1.4
69.07061	26.1
71.08629	7.3
71.72559	2.3
78.56838	1.3
79.05483	21.2
81.07049	34.2
83.08611	16.5
88.02193	2.1
89.03924	9.5
91.05476	17.6
93.07038	53.5
95.04948	3.0
95.08599	48.6
97.10160	4.1
98.98460	35.2
103.05460	3.3
105.07030	13.6
107.04896	1.9
107.08585	75.1
109.02867	2.3
109.06493	3.5
109.10147	16.1
117.03365	12.2
117.06992	2.3
119.08572	8.1
120.14536	1.4
121.02900	2.0
121.06490	4.6
121.10133	100.0
122.10435	2.7
131.04909	2.9
131.08534	6.0
133.10107	3.7
134.03632	2.8
135.04355	2.5
135.08107	2.0
135.11682	23.4
145.02847	19.7
149.02306	9.2
149.05960	11.3
149.09613	2.4
149.13197	7.9
159.08092	1.6
159.11658	4.5
161.09554	1.4
162.03024	1.6
177.05437	16.2
177.07735	1.9
177.09090	5.4
177.12820	12.0
177.16368	58.1
178.04964	2.5
178.08644	6.2
178.15836	1.5
186.05521	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.43246	0.4
53.03936	1.9
54.43006	0.4
55.01868	1.2
55.05498	1.6
57.07067	0.5
59.04997	0.6
63.02372	1.6
65.03928	1.5
67.05497	2.3
69.03420	0.6
69.07056	3.9
71.71021	0.7
77.03927	0.6
78.04697	6.9
78.05119	0.5
79.05064	0.6
79.05486	5.3
81.03413	1.0
81.07045	4.3
83.04956	0.5
83.08607	1.8
85.04008	0.5
86.35349	0.5
88.02199	0.5
89.03905	46.7
90.04233	1.2
90.20820	0.4
91.05469	14.6
93.07030	10.9
93.07598	0.9
95.04970	4.9
95.08601	5.0
97.06522	0.5
98.04729	0.6
98.98458	15.5
103.05450	5.0
105.03353	1.0
105.04487	0.9
105.07011	3.4
106.04163	16.9
107.04951	2.0
107.08578	8.7
109.02873	3.1
109.07629	0.8
109.10144	1.7
110.08372	0.4
115.05465	0.9
117.03364	74.1
117.06993	2.9
118.03720	1.7
119.04921	1.4
119.08564	1.2
121.02861	0.6
121.05615	0.7
121.06493	8.7
121.09272	0.7
121.10134	12.1
124.05187	1.6
125.46172	0.4
128.11667	0.4
129.04506	0.5
130.06606	0.4
131.04893	1.9
131.08557	5.6
133.06462	0.6
133.10109	1.9
134.03624	11.6
134.07115	0.5
135.04408	8.6
135.06627	0.5
135.07996	1.2
135.11673	3.0
136.08641	0.5
137.09435	0.8
144.09271	0.6
145.02829	100.0
146.03166	2.8
147.04385	1.0
149.02333	4.5
149.05963	34.4
149.09602	1.5
149.13261	1.0
150.06339	0.8
158.06007	1.6
159.04375	1.0
159.08047	1.5
159.11668	3.2
162.03091	3.2
163.03915	3.1
177.05446	35.3
177.09018	4.8
177.11395	0.9
177.12737	5.3
177.16365	6.8
178.05888	0.5
178.08572	0.9
186.05493	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.89445	1.1
52.40036	1.3
53.03952	7.2
55.01852	5.0
55.05509	26.1
57.03431	8.9
57.07054	3.3
59.04978	1.7
65.03928	2.9
67.05499	22.7
69.03425	9.6
69.07060	33.7
71.04992	7.5
77.03918	1.8
79.05024	2.8
79.05486	52.7
80.05803	1.8
81.03439	1.8
81.07048	46.2
83.04970	5.0
83.08604	11.7
85.06560	1.7
89.03909	13.8
91.05472	56.5
92.05750	1.5
93.07034	100.0
95.04961	16.6
95.08596	20.7
97.06508	3.8
98.20670	2.6
98.98461	29.8
103.05444	5.8
105.06339	2.5
105.07021	38.5
106.04145	1.7
106.07328	1.3
107.04961	11.6
107.08584	70.8
109.02875	2.9
109.06512	14.5
109.10130	3.1
109.90582	1.3
111.32365	1.4
115.05444	5.2
116.06217	2.4
116.99556	1.4
117.03369	25.3
117.07005	34.7
119.08575	19.1
120.08926	1.1
121.02837	2.3
121.06493	27.2
121.10137	26.0
122.07273	3.0
123.08079	3.2
129.07001	10.1
130.07767	8.5
131.08559	44.3
133.06500	2.9
133.10118	12.7
134.03615	4.8
135.04404	3.0
135.08037	16.4
135.11690	12.8
144.09363	10.2
145.02827	29.6
147.11713	1.6
148.08809	2.3
149.02287	6.6
149.05946	11.0
149.09584	5.7
149.13255	16.7
159.08066	1.9
159.11678	34.7
160.11946	1.6
162.03003	1.3
163.03841	1.4
177.05423	16.4
177.09068	6.5
177.12735	62.5
177.16296	6.6
178.08629	2.2
186.05409	2.8
197.21837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.07484	0.4
50.44120	0.5
53.03934	1.1
55.01872	0.9
55.05490	0.6
63.02376	1.5
65.03930	0.7
67.05478	0.7
69.07059	1.7
70.41328	1.1
78.04699	3.9
79.05489	3.0
81.03408	0.7
81.07041	2.1
83.08636	1.1
89.03908	50.0
90.04221	1.0
91.05474	6.5
93.07040	4.4
93.81339	0.4
95.04964	1.4
95.08601	2.9
98.98461	6.5
103.05462	4.0
105.03405	0.7
105.07034	1.5
106.04158	4.8
107.04961	0.9
107.08585	5.5
109.02861	1.6
109.10119	1.1
115.05462	0.6
117.03367	78.1
117.07015	1.2
118.03699	2.2
119.04972	1.0
121.02885	0.6
121.06467	2.8
121.10120	5.6
124.05199	1.4
131.04935	2.5
131.08566	2.4
134.03616	12.6
135.04419	8.3
135.08047	0.8
135.11670	1.5
137.09561	0.6
145.02831	100.0
146.03180	2.9
149.02330	1.3
149.05965	30.6
149.09631	0.9
149.13248	0.6
150.06346	1.0
154.71495	0.4
158.05977	1.3
159.04453	2.1
159.07997	0.9
159.11630	0.9
162.03133	3.0
163.03889	3.7
177.05452	33.5
177.12685	2.0
177.16338	3.5
178.05849	0.8
178.08522	0.5
186.05515	4.7
186.45699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01593	0.3
50.92556	0.2
53.03938	0.7
55.01863	0.6
55.05506	0.7
63.02351	1.4
65.03937	0.6
65.78260	0.2
67.05484	0.7
67.93640	0.2
69.07059	0.9
70.21713	1.2
78.04706	4.2
79.05489	2.2
81.03422	0.3
81.07041	1.2
83.04964	0.3
83.08617	0.6
89.03909	54.3
90.04227	1.2
91.05477	4.8
93.07035	2.6
95.04972	1.9
95.08605	1.4
97.10203	0.3
98.98462	5.0
103.05462	2.6
105.03373	1.0
105.07015	1.0
106.04166	3.5
107.04944	0.8
107.08588	2.2
109.02887	0.6
109.10115	0.5
117.03368	87.1
118.03685	2.6
119.04928	0.7
119.08578	0.5
121.02863	0.4
121.06519	2.1
121.10125	3.3
124.05224	1.4
129.04492	0.4
130.06529	0.3
131.04918	0.7
131.08575	1.6
133.07523	0.2
133.10123	0.4
134.03616	10.3
135.04414	7.9
135.08008	0.5
135.11693	0.7
137.09474	0.3
145.02834	100.0
146.03156	3.8
147.04355	0.4
149.02354	1.6
149.05968	27.8
149.09612	0.6
149.13242	0.5
150.06314	0.8
158.05980	2.4
159.08011	0.5
159.11681	0.7
162.03105	1.6
163.03946	2.1
164.93239	0.3
177.05452	28.7
177.09103	1.1
177.12714	1.5
177.14674	0.9
177.16263	1.7
178.05830	0.8
178.08548	0.3
182.40750	0.2
186.05486	5.5
186.07068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01855	1.7
55.05500	1.4
56.04760	1.1
56.05030	16.6
56.96561	21.0
57.03436	3.7
57.93558	1.0
58.06586	0.7
59.04984	0.5
59.06103	0.9
60.04525	2.8
60.05646	0.8
60.95835	1.1
61.02906	1.4
67.05502	8.2
68.63542	0.5
69.03414	2.9
69.07061	8.0
69.07616	0.5
70.06588	59.9
70.75843	0.5
71.04987	66.1
71.06905	2.3
71.29431	1.3
71.95255	2.0
72.05315	0.6
72.08144	1.4
73.02894	1.7
74.02423	1.5
74.06052	1.5
74.97603	0.6
75.94596	1.2
77.00636	0.9
79.05487	0.8
81.03394	1.6
83.00786	0.7
83.04962	1.0
84.04503	0.5
84.96027	1.0
85.02909	2.8
85.08469	0.5
86.06050	0.5
88.07623	29.7
89.00723	0.6
89.03884	0.6
91.02357	0.6
91.05462	1.2
93.07022	2.3
95.01333	0.6
95.08598	41.7
96.01540	0.6
96.04482	0.5
96.08953	0.6
97.02858	3.0
97.99152	1.1
98.01251	1.3
98.06040	1.0
98.97575	39.7
98.98454	2.0
99.04447	5.2
100.03977	1.2
101.00819	1.1
102.96873	0.7
103.05441	0.8
106.04029	0.5
107.01801	0.6
107.04944	0.6
107.08571	0.6
108.05579	0.9
109.02872	1.2
110.01246	0.9
110.97585	1.2
112.07599	1.3
112.11231	16.0
112.99149	0.7
113.09638	6.4
116.00257	0.6
116.07078	2.7
116.97308	8.0
116.98611	37.4
117.03307	0.8
117.05476	5.6
117.07359	0.7
118.03522	0.6
119.01842	4.5
120.01999	0.9
120.08109	0.7
120.97922	0.6
121.01672	1.0
121.06507	0.8
126.02534	0.8
127.03893	2.7
128.02345	0.9
128.98595	1.3
130.04924	0.6
130.06573	0.6
130.08630	34.6
130.12270	100.0
131.00174	1.3
131.01849	3.1
131.04811	0.6
131.08934	1.0
131.09923	0.5
131.12602	1.9
131.99597	1.6
134.01259	0.8
134.03009	3.1
134.08125	14.5
134.95848	1.2
134.99648	31.4
135.06599	1.2
136.06161	1.3
138.03075	0.6
139.01682	0.6
139.02757	0.8
140.00188	1.3
140.02214	0.6
141.01205	1.0
145.02762	0.9
146.99631	0.9
148.06139	0.5
148.07523	0.8
148.96092	0.5
149.01190	1.4
149.02289	0.9
149.04590	2.1
149.05952	1.4
149.44556	0.5
150.49086	0.5
152.96974	3.4
153.00697	5.5
154.03531	0.7
158.01251	2.6
158.99623	0.6
159.09604	0.5
160.06189	1.9
161.01254	1.0
161.02942	0.7
163.02730	1.1
165.00746	0.7
171.01344	5.3
171.02623	0.8
171.04971	1.2
175.02740	0.7
175.98532	3.6
176.02292	1.8
176.04370	0.6
176.05658	3.0
176.07140	1.9
176.09222	2.6
176.12892	5.8
177.00737	2.4
177.04160	0.7
177.05487	1.1
177.08871	2.2
189.00868	0.9
189.02428	1.7
189.03748	1.0
194.03166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02370	0.4
53.03939	3.0
55.01869	2.8
55.05511	0.3
55.91604	0.2
65.03944	0.3
67.01870	1.1
67.05513	0.4
69.03431	0.9
69.07083	0.3
70.60046	0.6
70.60471	0.4
77.03933	0.8
78.04721	0.2
79.05492	1.4
80.94089	0.2
81.03400	1.1
81.07056	0.7
83.01318	0.2
89.03910	1.8
91.05474	15.5
92.05801	0.4
93.07037	12.7
94.07372	0.3
94.37013	0.2
95.04964	7.7
95.08561	0.3
96.37490	0.2
98.98479	2.0
103.05463	13.5
104.05817	0.4
105.04494	1.2
105.07030	3.1
106.04143	0.2
107.04949	8.3
107.08611	1.0
109.02858	0.3
109.06516	1.6
109.10157	0.2
115.05445	0.5
116.06219	0.3
117.03378	2.9
117.07038	0.2
119.04960	0.3
119.08584	0.3
121.06498	100.0
121.10108	1.4
122.06813	2.4
129.07065	0.3
131.04921	26.1
131.08582	1.9
132.05315	0.7
133.06470	0.8
133.10088	0.5
134.03612	0.7
135.04411	6.9
135.08051	0.8
139.34932	0.2
145.02844	3.0
147.04381	0.3
149.02513	1.1
149.05971	63.6
149.09581	3.3
150.06317	2.3
153.05446	1.4
159.04407	3.3
159.08060	1.2
159.11658	0.2
162.06763	0.6
167.07019	0.3
177.05473	14.3
177.09088	14.4
177.12691	0.6
177.16376	0.4
178.05913	0.3
178.09641	0.2
196.04201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31094	1.0
60.05640	1.9
70.06570	4.2
71.05025	1.1
71.06916	4.9
84.44015	1.1
84.97036	1.1
86.06728	1.0
88.03947	1.5
98.20691	2.5
112.07610	2.2
113.07912	1.8
116.07130	1.5
130.08606	2.4
131.01926	3.3
132.02106	100.0
133.02464	2.8
158.08060	1.3
171.05034	1.1
176.01080	22.5
176.09088	1.7
180.42520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.7
53.03945	34.1
54.04730	1.8
55.05276	1.5
55.05510	18.9
57.02481	1.2
58.99576	4.9
59.06112	1.2
59.74726	1.0
59.96722	1.8
61.01147	30.4
62.99069	14.4
65.00636	13.7
65.03941	6.0
67.04263	1.1
67.05499	6.7
68.05016	6.7
69.03418	9.3
69.07050	4.3
69.61755	4.5
69.62177	4.5
70.04221	1.6
70.06571	1.9
71.04974	5.0
71.99100	13.1
73.01135	1.6
74.99049	3.1
75.02689	6.1
78.03449	14.7
78.96777	1.9
79.05506	1.7
79.28006	1.1
79.55657	1.1
80.05005	3.7
82.99555	4.9
83.06213	1.1
83.08618	1.2
84.00327	1.5
85.01124	58.2
86.01902	1.5
87.02686	50.2
89.00617	3.0
89.03877	6.8
91.05453	3.4
92.05787	1.3
93.07047	2.7
95.08575	2.4
96.04488	85.4
97.04804	1.5
98.20708	2.2
98.98460	10.4
100.02197	3.0
101.02957	1.6
101.04232	12.9
103.02166	31.8
103.05484	1.4
104.02934	4.4
106.04144	1.5
106.07357	2.0
107.04937	1.5
107.08568	2.1
111.13527	1.2
112.02186	100.0
113.03005	2.9
117.03613	15.6
117.07019	2.4
120.08116	1.7
120.08896	1.8
121.06498	1.9
121.10123	3.5
125.28986	1.1
129.10637	1.0
130.06499	2.3
131.04927	3.8
131.08568	1.7
134.10454	2.2
135.04431	2.1
145.02835	16.1
146.07246	1.2
148.03835	2.0
148.07574	1.4
149.02321	1.9
149.05994	7.5
158.00903	1.1
158.06035	1.1
159.04419	4.2
169.09015	1.1
176.01993	59.1
176.03336	2.1
176.06873	6.4
176.11589	1.5
176.14340	1.5
177.05475	12.5
177.09113	9.5
177.16397	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	0.7
55.05514	2.3
57.03425	0.8
65.81709	0.6
67.05490	2.1
69.03426	0.9
69.06727	0.7
69.07053	3.3
69.39589	2.4
69.40012	4.9
69.86778	0.6
70.06588	2.1
79.05486	2.9
81.07063	5.3
87.66821	0.6
91.05471	17.6
92.05844	0.6
93.07062	3.0
95.04973	1.0
95.08621	4.3
97.02911	1.4
98.98463	60.6
103.05473	0.9
105.07023	35.0
107.08567	3.0
111.04414	1.1
115.05400	0.9
116.99499	2.2
117.07005	4.4
119.04946	1.4
119.08573	100.0
120.08166	0.6
120.08925	2.4
121.06493	1.8
121.10149	0.6
127.98566	0.7
128.06224	1.7
129.07005	2.9
130.06470	0.6
131.08551	5.1
133.10123	76.4
134.10419	3.4
140.01064	1.4
142.07755	1.8
145.10118	1.5
147.04382	2.5
147.08075	1.4
147.11684	9.3
151.93840	1.1
157.10136	2.1
160.08801	0.8
160.12439	0.9
161.04747	1.1
175.03882	2.2
175.06129	1.0
175.07491	4.5
175.11200	6.3
175.13252	1.4
175.14807	33.9
176.07051	4.3
176.15150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1188
Annotation	L-Arginine
Peak:m/z	Relative Intensity
50.68390	0.2
55.01875	1.0
55.05484	0.7
56.05027	0.3
56.96562	4.2
57.03421	1.5
58.06586	0.6
58.99836	0.4
59.04996	0.3
60.04509	0.7
60.05641	12.9
61.02918	0.7
65.03936	0.4
67.05496	1.0
68.05016	0.5
69.03416	1.9
70.06584	100.0
71.01346	0.3
71.04984	2.4
71.06915	1.1
71.68652	0.3
71.93637	0.2
71.95232	0.3
72.04549	0.3
72.08151	2.6
72.93784	0.5
73.02915	2.7
74.02440	0.2
74.06084	0.3
74.97591	0.3
81.03407	0.5
82.06587	0.4
83.04969	1.0
83.06915	0.5
84.01559	0.2
84.04494	0.4
84.08138	6.2
84.54711	0.2
85.02901	1.8
85.06570	0.4
86.06074	0.3
86.99295	0.2
87.04496	0.4
88.07616	1.4
90.94823	0.5
91.00523	0.3
91.05466	1.3
92.90095	0.7
94.02704	0.3
94.06562	0.4
95.05001	0.5
96.01540	0.2
97.02888	1.4
97.07642	0.3
98.01279	0.3
98.06043	1.0
98.97588	2.3
98.98474	6.7
99.04456	0.6
100.07617	0.6
101.00888	0.9
101.02445	0.3
102.02405	0.3
102.09202	0.4
102.53052	0.2
103.00586	0.3
103.02444	1.0
103.03054	0.2
105.02065	0.3
105.07052	0.9
109.02906	0.3
111.02930	0.4
111.04450	0.6
111.53632	0.3
112.02837	0.3
112.07594	32.8
112.08688	1.2
113.02401	0.2
113.07953	0.5
114.05521	0.3
114.10285	0.3
115.03969	0.3
115.08690	1.0
116.07080	15.3
116.10739	0.4
116.97250	0.3
116.98631	1.7
116.99379	0.3
117.07492	0.2
118.03545	0.2
119.01908	3.6
119.08561	1.1
119.20802	0.2
120.02106	0.5
120.03450	0.4
121.01674	0.8
121.03526	0.5
121.06536	0.4
127.03931	0.4
128.02306	0.5
128.98634	0.7
129.07378	0.8
129.10229	1.4
130.06534	0.3
130.08675	3.8
130.09789	5.5
130.12253	1.0
131.00140	0.3
131.01935	0.9
132.02100	0.7
132.95815	1.4
133.01715	0.8
133.03462	1.0
133.10132	0.6
133.92706	0.2
134.08159	0.4
134.99681	0.8
137.02974	1.1
139.03978	0.3
140.03230	0.3
140.07082	0.3
142.07797	0.3
143.01912	0.6
144.01892	0.2
145.01695	0.4
145.03394	1.1
146.99686	0.6
147.03259	0.3
147.04320	0.3
147.08109	0.4
149.01277	0.4
150.96942	0.9
150.99120	0.4
151.04565	0.4
151.93843	0.8
155.01944	0.4
156.02025	0.3
157.03522	0.4
157.06477	0.3
158.08105	0.6
158.09314	2.6
159.03194	0.3
161.02928	1.0
163.02818	0.3
163.04408	0.2
169.01714	0.3
171.05026	0.5
173.03053	0.4
174.03122	0.5
174.04469	0.3
174.99144	0.3
175.02678	0.4
175.04408	0.6
175.06212	0.3
175.07483	1.2
175.10837	1.0
175.11998	7.3
175.14592	1.4
176.07118	0.5
176.09206	0.7
177.00620	0.2
185.03058	0.3
186.04475	0.3
187.02946	0.3
189.00777	0.3
193.00316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1077
Annotation	N(5)-Acetyl-L-ornithine
Peak:m/z	Relative Intensity
55.01861	1.0
55.05497	0.6
56.05006	0.3
56.94303	0.2
56.96561	4.2
57.03431	1.8
58.06579	0.7
58.99856	0.3
59.04983	0.3
60.04511	0.5
60.05643	13.6
60.95863	0.4
61.02918	0.9
65.03936	0.3
67.05490	1.2
67.93002	0.2
68.05020	0.7
69.03416	2.3
69.07071	0.3
69.59924	1.7
69.67344	0.2
69.77104	0.2
70.06586	100.0
71.04987	2.0
71.06917	1.4
72.08146	2.6
72.93790	0.6
73.02919	2.6
73.91898	0.2
74.06074	0.4
74.97607	0.3
81.03397	0.6
81.07042	0.3
82.06556	0.4
83.04965	1.5
83.06911	0.5
84.04501	0.6
84.08135	6.1
85.02900	2.4
85.06543	0.3
85.07668	0.3
86.06059	0.2
87.04471	0.4
88.07619	1.1
90.94820	0.8
91.02383	0.2
91.05483	0.9
91.79105	0.2
92.01298	0.3
92.90075	0.7
93.03390	0.3
94.06546	0.4
95.04987	0.6
95.08563	0.2
97.02871	1.9
97.07648	0.4
98.01282	0.3
98.06046	1.2
98.97599	2.1
98.98474	6.8
98.99091	0.5
99.04460	0.6
101.00877	1.1
101.92387	0.2
102.02428	0.3
102.09184	0.5
102.53133	0.4
103.00640	0.3
103.02433	1.0
104.96430	0.3
105.07061	0.8
105.96381	0.3
106.01879	0.3
108.95895	0.3
110.01254	0.3
110.97593	0.4
111.02083	0.2
111.02956	0.5
111.04438	1.1
111.52987	0.3
111.53667	1.3
112.07596	32.1
112.08689	1.2
113.02402	0.3
113.07169	0.4
113.07904	0.5
114.05514	0.4
114.09175	0.3
114.10302	0.2
115.02409	0.3
115.03957	0.3
115.08704	1.4
116.07080	15.6
116.10742	0.4
116.98619	1.9
119.01904	5.3
119.08603	0.7
120.02022	0.8
120.03455	0.6
121.01668	1.4
121.03500	0.7
121.06516	0.4
127.03934	0.5
128.02304	0.5
128.98639	0.9
129.03998	0.4
129.07404	0.8
129.10178	1.6
130.02884	0.2
130.05069	0.2
130.08672	4.8
130.09789	5.2
130.10674	0.4
130.12302	1.2
131.00162	0.2
131.01921	0.8
131.08600	0.4
132.02071	1.3
132.95799	1.5
133.01698	0.8
133.03474	1.0
133.10133	0.6
134.08142	0.2
134.99615	1.2
135.03131	0.3
137.02922	1.2
138.54181	0.7
139.02736	0.3
139.03918	0.4
143.01941	0.6
144.02177	0.3
145.01701	0.4
145.03459	1.3
146.03632	0.5
146.99693	0.8
147.01405	0.3
147.03250	0.5
147.04333	0.5
149.01241	0.4
150.96851	1.2
150.99088	0.5
151.02711	0.3
151.04608	0.5
151.93819	0.5
153.03984	0.4
155.01930	0.4
156.03372	0.4
157.03505	0.5
157.10902	0.5
158.03593	0.2
158.08112	0.6
158.09209	3.1
158.11841	0.2
158.99745	0.3
159.04948	0.3
161.01277	0.3
161.03018	1.6
162.03175	0.4
163.02711	0.5
165.00719	0.3
168.03346	0.3
171.01550	0.4
171.05112	0.7
173.03033	0.6
174.03166	0.5
174.04466	0.7
174.99095	0.2
175.02782	0.4
175.04568	1.6
175.07706	0.7
175.10817	1.2
175.12003	8.3
175.14594	1.4
176.07094	0.4
176.09251	0.7
176.12744	0.3
179.04001	0.4
185.03038	0.4
186.03021	0.3
186.04529	1.0
187.02847	0.7
187.04565	0.2
189.02536	0.2
193.00220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0752
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
53.03930	1.6
55.01865	3.3
55.05489	1.4
56.96559	0.7
57.03415	1.4
59.05008	0.4
65.03912	0.7
67.01860	8.6
67.05474	1.2
69.03421	4.6
69.07052	1.7
69.39233	1.8
69.39664	2.3
70.06580	2.1
73.87648	0.4
75.72898	0.3
77.03884	0.4
79.05486	9.1
81.07042	1.5
83.04951	0.7
83.08577	0.5
85.02860	0.6
87.04405	0.6
91.05472	36.5
92.05799	0.7
92.90002	0.6
93.07029	3.0
93.96281	0.4
95.04967	2.8
95.08590	1.5
97.02890	2.6
98.03709	0.5
98.98457	40.1
103.05457	3.6
104.06227	2.6
105.03390	2.7
105.04500	0.4
105.07017	14.9
106.07343	0.4
107.04943	32.5
107.08574	1.3
108.05293	0.8
109.06503	0.4
111.04429	0.8
115.05412	3.0
116.06200	1.6
116.99471	1.5
117.07012	11.3
119.04919	1.3
119.08569	33.7
120.08910	0.8
120.41782	0.4
121.06490	3.7
121.10109	0.4
125.02337	0.5
127.03881	0.5
128.06213	7.9
129.06995	27.7
130.06482	0.4
130.07332	0.5
131.04906	3.9
131.08553	8.3
132.05704	19.3
133.06514	5.3
133.09196	0.7
133.10109	9.4
133.92691	0.4
135.04401	15.6
139.03967	0.4
140.01028	0.4
142.07762	3.7
145.06506	2.5
145.10098	0.9
146.07298	0.6
147.04407	2.6
147.08037	13.1
147.11656	2.8
148.08507	0.4
151.93860	1.3
153.05460	3.6
155.06015	0.9
157.04320	0.7
157.06485	3.4
157.10112	6.1
160.05180	8.9
160.08818	0.7
174.06731	1.4
175.03998	2.2
175.07532	100.0
175.11058	9.7
175.14796	9.1
176.07838	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.5
53.03931	0.5
55.01866	1.6
55.05505	2.1
56.05025	0.6
56.94315	0.7
56.96561	84.1
57.03432	2.8
57.93547	0.6
58.96166	0.5
59.05004	0.5
59.06126	0.5
60.04506	1.2
60.05644	15.9
60.95848	0.8
61.02926	1.2
65.03938	1.2
67.05495	3.3
69.03423	6.3
69.07060	4.1
70.06586	47.5
70.66083	1.9
70.95872	0.9
71.04984	2.7
71.95267	0.7
71.95899	0.6
72.04487	0.8
72.08142	2.0
72.93789	3.0
73.02900	3.3
74.06077	0.7
74.97609	2.2
75.94610	0.7
76.03979	0.7
79.05501	1.3
81.03413	1.7
81.07037	1.2
82.02945	0.5
83.01328	1.4
83.04984	4.1
83.06070	0.5
84.01576	0.5
84.08137	3.9
84.96023	1.3
85.02908	4.2
87.04438	1.0
87.05547	0.5
88.39387	0.6
88.96911	0.5
90.94825	3.0
91.05482	6.3
93.07058	1.5
95.04962	3.1
95.08552	0.8
97.02878	6.5
98.03700	0.7
98.06082	0.8
98.97583	14.0
98.98459	44.5
99.04446	1.0
99.05558	0.6
101.02379	1.3
102.94848	0.6
103.02415	0.8
103.05445	0.7
105.03369	0.6
105.07023	4.5
108.95870	0.8
110.01267	1.0
110.97575	11.1
111.04429	2.8
111.53624	0.8
112.07594	1.5
112.08725	2.2
113.05975	0.6
115.02371	0.8
115.03958	0.9
116.03391	0.5
116.07078	13.2
116.97311	2.8
116.98620	13.5
116.99471	1.6
119.01856	5.8
119.04948	1.2
119.08579	5.0
121.01639	1.8
121.03514	0.7
121.06501	1.9
122.97448	0.6
125.02316	0.6
127.03933	1.6
128.02315	1.9
128.06238	0.6
128.07118	0.6
128.98596	26.8
129.01819	0.8
129.05484	0.9
129.07053	3.2
130.06509	5.3
130.08636	2.0
130.09749	6.5
131.00110	0.6
131.01871	0.8
131.08516	1.7
131.99637	1.6
132.04420	4.2
132.95822	6.8
132.96785	0.9
132.99165	1.2
133.01640	0.9
133.03481	1.1
133.06197	0.8
133.10107	4.0
133.95914	0.6
134.02982	1.3
134.99652	11.3
135.07938	0.5
136.04507	0.9
137.02943	1.3
139.03926	1.3
140.00146	0.9
142.07765	1.1
145.03398	0.9
146.99640	36.5
147.03217	1.1
147.04381	3.3
147.08026	2.2
147.11664	1.3
148.06238	0.9
149.01212	1.5
149.02904	0.6
150.00746	0.9
150.96884	8.9
150.97964	1.0
150.99077	1.2
151.00235	1.4
151.04454	0.6
151.93779	0.7
151.97156	1.8
152.00111	0.7
152.96950	0.9
153.00691	1.9
153.04845	0.7
156.98093	4.2
157.04924	0.5
157.06366	0.8
157.07599	1.4
157.10097	1.6
158.01233	0.6
158.05989	5.5
158.09245	3.7
158.99655	4.1
159.03279	0.8
160.08905	0.8
160.97624	0.9
161.01239	0.8
161.04675	2.4
162.99101	0.7
163.02733	1.3
165.00717	6.7
169.00172	0.7
169.97678	0.7
170.01224	1.7
170.99718	0.6
171.01477	0.6
174.04333	0.8
174.99136	48.5
175.04137	2.2
175.05859	1.2
175.07285	5.2
175.08600	0.9
175.12064	8.0
175.14786	4.0
175.98460	0.7
177.00745	5.8
177.04361	1.6
184.04829	0.8
187.02785	0.7
189.00737	0.7
193.00195	100.0
194.00529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.74014	0.4
53.03923	1.1
55.01851	0.6
55.05507	16.7
56.05027	0.5
56.96561	4.1
57.03424	1.6
57.07053	0.8
59.04989	3.7
60.04514	1.2
65.03938	0.6
67.05493	3.2
69.03414	1.4
71.06118	1.0
71.12691	1.0
72.93771	1.8
76.02208	2.0
79.05472	1.4
80.63482	0.5
81.03403	0.5
81.07046	1.3
83.04977	19.0
84.04507	1.2
85.02882	1.1
87.04454	1.9
89.02380	1.0
89.03893	0.5
90.90371	3.1
90.94838	2.3
91.05475	8.4
93.06997	0.6
95.93858	0.5
96.04453	0.5
97.02911	2.3
99.04444	1.6
101.06005	13.1
103.03279	4.4
103.05456	1.4
105.07024	9.1
106.07395	0.6
107.08582	0.5
108.95847	0.9
111.04436	16.1
113.05978	2.2
113.96373	0.6
114.05499	1.8
115.03928	1.0
115.05448	6.1
115.88639	0.6
116.06235	1.1
117.07019	9.6
119.08572	15.0
119.09416	0.8
127.07551	2.6
128.06198	2.3
129.03847	0.5
129.05481	10.9
129.06978	8.3
130.07820	4.0
131.04912	1.2
131.08557	38.4
131.97424	1.1
132.08871	1.2
133.10135	2.4
133.20515	0.5
137.05940	0.6
142.07747	1.0
143.08556	24.1
144.09328	7.6
145.05481	0.7
145.06494	7.2
145.10114	29.1
146.08101	0.8
146.10541	0.6
149.94052	1.8
149.96040	0.7
150.96945	1.0
155.05879	1.1
155.07033	13.0
155.08504	1.9
156.07462	0.7
156.09341	1.7
157.10133	1.1
158.06187	0.7
158.07295	5.8
158.10901	35.1
159.11307	0.7
167.97168	0.9
171.11610	2.6
173.06120	3.9
173.08194	20.2
173.09625	44.8
173.13245	100.0
173.98386	0.6
174.05402	0.6
174.07585	3.2
174.09970	2.0
174.13814	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03925	1.8
55.01860	0.6
55.05505	29.2
57.03431	1.4
59.05000	4.7
60.04507	0.9
67.05499	3.3
69.03413	1.2
69.07032	0.8
70.00044	2.8
70.00458	1.5
70.06560	0.8
70.95839	1.1
71.06089	0.7
72.08142	0.8
72.93784	4.0
76.02197	2.1
79.05505	0.8
81.07037	1.3
83.04974	27.7
85.06526	1.6
87.04453	2.3
89.02364	2.3
90.90360	2.2
90.94811	3.3
91.05473	9.1
93.07063	1.0
96.04484	0.9
97.02853	1.7
98.20700	1.1
99.04440	1.4
101.06008	19.0
103.03274	3.2
103.05445	1.1
105.07029	8.7
108.95827	1.3
111.04431	24.1
113.02342	0.8
113.05988	3.2
113.96414	1.1
114.05499	0.8
115.05429	5.7
116.06198	1.6
117.06997	9.7
119.07745	1.0
119.08569	14.7
120.08903	0.6
127.07516	3.4
127.20329	0.8
128.06201	2.2
129.05469	14.3
129.06963	7.6
130.07770	5.1
131.04909	0.7
131.08556	34.6
131.96187	1.0
131.97450	0.6
132.08890	1.2
132.95801	1.9
133.10133	3.0
137.05954	0.7
140.46370	0.6
142.07724	0.9
143.08548	24.8
144.09335	6.5
144.78131	0.7
145.06482	7.4
145.08977	1.4
145.10109	25.4
146.10487	1.0
146.87726	0.6
149.94022	1.3
149.96118	0.8
149.97214	3.4
150.96863	3.4
155.05067	0.8
155.05904	1.3
155.07037	20.1
155.08347	1.7
155.97440	1.0
156.09288	1.8
157.10098	2.0
158.07291	3.6
158.10896	38.8
159.11224	0.9
167.97142	1.4
171.11655	2.5
173.06070	3.0
173.08134	27.9
173.09615	44.4
173.13239	100.0
173.98476	1.5
174.07610	1.2
174.09964	2.0
174.13576	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	173.0596
Annotation	1-Hydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
50.64942	0.5
51.02386	0.5
53.03942	0.5
53.21860	0.4
55.01860	0.5
55.05506	9.0
56.69517	0.4
57.03420	0.5
57.29842	0.4
59.04993	1.8
60.04529	0.5
62.81683	0.4
67.05479	0.5
68.99786	57.4
69.03418	0.6
70.00104	0.7
71.06120	0.5
71.72208	0.5
72.93787	1.4
76.02232	0.8
77.03914	0.5
79.05498	1.2
81.03414	0.8
83.04975	11.1
84.04501	0.8
87.04459	0.6
87.24224	0.4
89.02378	0.9
90.90381	1.8
90.94817	0.8
91.05465	6.0
95.04977	1.5
97.02903	2.1
101.06009	7.8
102.04657	1.0
103.03276	1.9
103.05460	60.2
104.05798	1.5
105.03394	2.5
105.07037	3.5
107.04935	1.0
108.95853	0.5
111.03676	0.6
111.04434	10.9
113.06009	1.4
114.05523	1.2
115.05445	20.0
116.05771	0.4
117.07012	28.7
118.07375	0.7
119.08554	0.9
127.05433	6.2
127.07559	1.5
128.06207	13.2
129.05479	5.4
129.06995	3.5
130.04161	1.2
130.07756	0.5
131.04916	100.0
131.08562	6.2
132.05246	3.3
143.08560	1.6
145.06474	35.1
145.10138	3.5
146.06909	0.9
149.94044	1.0
150.97025	0.5
155.04893	23.8
155.06038	14.3
155.07053	5.9
156.05270	0.9
158.07272	0.5
158.10902	1.9
167.97176	0.5
173.05972	89.4
173.08142	12.1
173.13237	6.6
174.06273	3.1
174.07664	1.7
174.12737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0597
Annotation	1-Hydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
53.03951	0.5
55.05505	5.0
57.03434	0.3
57.78230	0.3
59.04990	0.7
63.79251	0.3
65.03938	0.5
67.05528	0.3
68.99785	23.7
69.03407	0.6
69.72252	2.2
72.93761	0.4
76.02226	0.3
79.01838	0.4
79.05473	1.1
83.04514	0.5
83.04974	5.4
87.04460	0.5
89.02374	0.4
89.03928	0.3
90.90385	0.8
90.94836	0.4
91.05469	4.3
93.78191	0.3
95.04957	0.8
97.02877	0.3
98.50751	0.4
99.04451	0.4
101.06010	3.6
102.04740	0.4
102.05578	0.4
103.03272	0.8
103.05457	26.6
104.05782	0.7
105.03375	1.0
105.04472	0.5
105.07025	2.5
107.04963	0.9
108.94685	0.3
111.04433	5.6
113.06015	0.7
114.05479	0.5
115.05444	12.1
116.06232	0.9
117.07009	22.2
118.07334	0.6
119.08572	1.2
121.02051	0.5
121.02850	5.4
121.03829	0.5
126.04604	0.3
127.05414	4.3
127.07526	0.6
128.06206	5.6
129.05489	2.5
129.06998	2.5
130.07733	0.7
131.04912	42.4
131.08549	10.1
132.05270	1.2
133.10149	0.3
143.08565	2.4
144.05698	1.0
144.09331	1.0
145.06471	28.2
145.10106	4.3
146.06810	1.0
149.94061	0.4
149.96085	0.3
149.97253	0.3
155.04878	9.3
155.06024	11.6
155.07057	3.2
156.06435	0.4
158.07292	0.5
158.10899	3.8
171.11636	0.5
173.05965	100.0
173.08055	5.3
173.13228	11.4
174.06329	3.0
174.07574	0.4
174.13324	0.3
191.03377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0596
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
53.03939	0.5
55.01854	0.8
55.05241	0.6
55.05507	11.5
57.03419	0.9
59.04992	2.2
65.03922	0.4
67.05486	1.1
68.99406	0.4
68.99784	7.5
69.03420	0.6
69.39113	1.5
69.39539	1.8
71.04999	0.5
71.06102	0.6
71.88335	0.3
72.93775	1.5
73.02925	0.3
76.02208	1.2
79.01823	0.8
79.05494	0.7
81.03398	0.7
81.07030	0.4
83.04976	12.9
84.05346	0.4
87.04449	1.1
89.02385	1.4
89.03896	1.4
90.90368	2.1
90.94809	1.1
91.05472	5.8
95.04969	0.7
96.04488	0.3
97.02876	0.8
99.04433	1.0
101.06010	9.0
103.03292	1.8
103.05460	11.7
105.03355	0.4
105.07012	1.8
107.04932	0.6
108.95871	0.6
111.04435	11.4
113.02377	0.3
113.06003	1.5
113.96410	0.5
114.05533	0.5
115.05447	13.5
116.06255	0.5
117.07008	20.2
118.07337	0.4
119.04943	0.4
119.08572	1.1
121.02856	8.1
127.03900	0.4
127.05456	3.4
127.07500	1.7
128.06252	2.3
129.03587	0.3
129.05472	7.3
129.06996	1.2
130.07790	0.8
131.04915	13.7
131.08562	5.1
131.93013	0.4
132.05196	0.4
137.05989	0.5
143.08543	1.3
144.05679	1.5
144.09299	0.6
145.06476	29.5
145.10098	3.9
146.06793	1.1
149.93993	2.0
150.03166	0.4
150.96773	0.4
155.04869	2.9
155.06004	10.1
155.07050	8.1
156.06328	0.4
158.07269	0.5
158.10901	1.9
167.97134	0.5
173.05969	100.0
173.08235	13.3
173.13231	6.2
174.06297	3.3
174.07629	0.7
174.08911	0.4
174.12756	0.4
191.03368	0.8
194.44252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0596
Annotation	1-Hydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
51.02373	0.7
53.03957	0.5
55.01860	0.4
55.05506	5.1
57.03450	0.4
59.04988	1.0
64.85514	0.4
68.99785	54.8
69.03400	0.4
69.37555	3.2
69.37969	0.9
70.00119	0.6
70.46891	0.4
76.39452	0.4
77.03927	0.4
78.97354	0.3
79.05485	1.5
83.04971	5.4
83.94368	0.3
89.02344	0.4
90.90392	0.8
91.05477	4.0
95.04953	1.0
95.94999	0.3
96.04491	0.5
101.06015	3.6
103.03326	0.8
103.05457	57.2
104.05787	1.2
105.03391	2.3
105.07033	2.2
107.04958	1.3
111.04435	5.7
113.05999	0.7
115.05444	10.2
117.07011	23.0
118.07360	0.5
119.08530	0.6
127.05442	4.2
127.07517	0.5
128.06216	12.3
129.05530	1.9
129.07013	3.2
131.04916	100.0
131.08557	3.5
132.05260	3.6
143.08528	0.6
145.06476	26.9
145.10114	1.2
146.06831	1.1
149.94093	0.4
155.04883	22.6
155.06033	12.3
155.07050	2.4
156.05273	0.8
158.10875	0.7
173.05968	86.9
173.08105	5.5
173.13264	3.4
174.06352	2.9
175.12720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
53.89759	0.8
54.93835	1.7
54.96481	0.9
55.01868	5.5
55.05504	30.6
55.93557	0.8
55.94605	2.9
56.05014	2.8
56.96561	58.5
57.03433	14.8
58.06584	2.1
58.99852	1.5
59.04999	6.0
60.04512	5.8
60.93944	0.8
61.02916	3.5
65.03936	1.0
67.05492	4.8
68.05000	0.9
69.03423	9.1
69.07066	1.3
69.60131	7.2
69.96170	13.1
70.06277	0.9
70.06585	8.0
70.95838	3.5
70.98088	2.0
71.01352	1.8
71.04982	2.6
71.06099	1.3
71.94095	6.5
71.95242	1.9
72.04502	1.0
72.08136	3.4
72.93786	9.3
73.02917	11.9
73.95654	1.6
74.06063	2.0
74.97591	2.3
76.02225	2.1
77.00867	3.3
81.03419	4.5
81.07051	1.6
82.06568	7.6
83.04975	31.8
84.01527	1.7
84.04485	2.2
84.08110	2.7
84.96021	3.4
85.02894	9.9
85.03971	1.0
85.06532	2.0
85.95641	1.0
86.06037	3.2
86.99337	0.9
87.04436	3.0
87.97201	1.5
88.07600	1.7
88.96899	1.4
88.99120	1.5
89.00777	1.3
89.02357	1.1
89.95131	2.2
90.90371	12.4
90.94825	5.0
91.05467	4.1
91.90384	2.5
92.01298	1.6
93.07035	1.0
94.02685	1.1
95.01340	0.9
95.04948	2.0
97.02888	7.3
97.64802	0.8
97.99153	1.3
98.06010	1.6
98.20687	1.0
98.97578	14.5
99.02008	1.2
99.04446	3.8
99.05549	6.8
100.02560	1.3
100.07594	2.3
100.99113	1.8
101.00869	12.2
101.06007	20.8
102.00922	1.3
102.02419	2.8
103.03274	4.2
103.96675	1.3
104.01276	1.3
105.07027	2.0
106.01041	1.3
108.95850	1.7
109.02867	4.1
110.01260	2.9
110.06036	1.7
110.97566	1.5
110.98819	1.4
111.00231	1.3
111.02084	2.1
111.02906	2.5
111.04433	25.4
111.98470	3.0
112.07594	2.3
113.00853	3.4
113.02358	2.8
113.06001	3.9
113.95103	1.8
113.96404	1.3
113.98634	0.9
114.05521	6.5
114.09143	1.4
115.02421	2.1
115.05420	1.3
116.00193	1.1
116.03854	0.9
116.07082	7.6
116.98617	11.3
117.01959	1.0
117.07004	2.9
117.98965	1.5
118.01036	1.9
119.00154	1.4
119.01902	46.2
120.01901	0.9
121.01623	3.4
121.02856	1.0
123.02927	1.5
125.01775	1.0
126.09124	1.3
127.01501	1.3
127.03935	4.4
127.05023	18.3
127.06936	1.2
127.07633	2.5
127.08593	1.3
128.02312	3.1
128.06158	1.5
128.07059	11.8
128.10739	1.6
128.98581	6.2
129.02869	1.1
129.03853	0.9
129.05461	13.4
129.06961	1.9
129.99513	2.1
130.97729	1.0
131.00192	2.0
131.01900	18.5
131.08534	7.4
131.92986	2.7
131.96138	47.8
131.99666	2.3
132.00629	1.5
132.05083	0.9
132.95819	4.2
133.01654	1.2
133.03439	6.6
134.02202	1.7
134.99652	11.2
137.02904	10.4
137.05951	1.4
137.07080	1.5
139.03825	1.1
141.01262	3.3
142.03461	3.4
143.01880	9.3
143.08542	2.8
143.11826	1.6
144.98097	1.7
145.03427	8.1
145.06467	5.2
145.10068	4.9
146.99620	8.3
147.01413	1.4
149.01183	3.2
149.02965	4.7
149.94041	10.2
149.97188	100.0
150.00702	2.1
150.01801	4.5
150.94008	1.2
150.96837	12.2
151.04535	2.9
152.52052	1.3
154.97722	12.0
155.01872	7.3
155.03183	1.7
155.07024	19.3
155.97403	3.1
156.06523	1.3
156.10225	2.3
157.03416	3.5
158.10893	1.4
158.99614	2.7
160.04610	1.3
161.01237	2.5
161.02914	18.1
162.99156	2.3
163.04503	2.2
165.00650	4.3
167.01945	1.3
167.95052	1.9
167.97032	1.7
167.98260	9.6
169.01697	1.5
169.03477	1.8
170.99609	1.4
172.95358	1.2
172.98801	18.8
173.01208	2.1
173.02991	14.7
173.04381	1.4
173.05717	3.7
173.08102	27.8
173.09598	1.5
173.13098	8.3
173.98506	3.3
174.06113	1.6
174.07626	2.5
174.11237	1.3
174.12674	1.5
175.04489	1.6
177.00711	1.8
179.03926	1.2
183.01857	1.3
184.04527	2.1
185.01469	1.3
185.02927	6.3
189.00700	1.9
189.02364	0.9
191.04037	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	171.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.0
56.96553	1.1
57.03435	4.0
57.07073	2.8
61.68457	0.9
62.73152	1.0
63.08723	1.0
65.03943	2.1
67.05495	5.2
68.99793	1.2
69.03426	2.4
69.07064	3.5
70.07417	1.2
70.35776	4.2
71.05035	1.2
72.04512	20.7
73.02891	1.2
77.95516	1.3
81.03415	2.5
83.04976	50.4
83.08627	5.8
84.62032	1.1
85.02899	100.0
86.03226	1.4
86.06889	1.5
86.09711	1.7
87.04460	3.7
89.07146	12.5
91.05430	1.2
107.08584	2.0
109.02870	2.4
111.04440	22.3
115.05467	3.0
125.02308	1.2
125.06032	1.1
127.03912	2.8
128.06221	8.7
129.05490	6.3
129.06992	3.0
141.07022	2.7
143.08537	9.1
145.06458	1.5
153.01846	4.1
155.05972	1.1
156.09308	5.7
171.02921	2.3
171.04338	2.3
171.06667	1.7
171.08057	6.7
171.11630	6.6
171.13687	1.9
171.14809	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	172.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93838	1.7
55.05508	10.1
56.05043	0.5
56.41024	0.4
56.96562	10.0
57.03440	0.6
59.04979	2.2
61.90903	0.4
69.96171	18.1
69.98306	1.5
69.98718	0.8
70.95856	1.2
71.06101	0.5
71.94097	6.4
72.93783	8.5
73.02887	0.4
73.06552	3.5
73.93060	0.4
77.00875	0.7
81.03403	0.5
82.01456	0.5
82.99825	0.5
83.04971	9.5
87.04456	0.7
87.97200	1.0
89.02378	0.5
89.95151	0.7
90.94830	5.5
91.05471	0.8
95.96536	0.5
98.97591	3.6
99.05581	0.5
100.02467	1.0
101.00891	2.7
101.06012	7.2
102.02233	0.5
102.66463	0.4
103.02463	0.5
103.03278	1.3
105.07027	0.7
108.95840	2.0
110.71348	0.4
110.98780	1.6
111.04436	10.1
111.98429	0.9
113.05991	0.9
113.95086	2.2
113.96375	1.1
113.98662	1.4
115.05463	0.8
116.01949	0.9
116.98622	3.6
117.06979	0.9
118.03507	1.4
119.01911	18.5
120.02016	1.0
120.03348	0.4
121.01666	0.7
127.07547	1.1
128.06212	0.5
129.05476	4.2
129.07010	0.5
130.97742	1.9
131.00237	0.6
131.01929	2.0
131.08569	2.4
131.96136	48.8
131.99689	4.3
132.01396	0.8
132.05037	3.9
132.95816	1.7
134.02980	5.0
134.99643	2.4
136.04550	1.2
137.02956	7.9
138.02998	0.5
139.02740	0.6
141.03792	0.4
142.03514	1.3
143.08572	1.3
145.03450	1.0
145.06470	1.2
145.10098	1.4
148.97731	0.4
148.98755	2.2
149.01166	1.1
149.03003	0.5
149.06587	0.6
149.60576	0.4
149.97188	100.0
150.00613	3.6
150.02457	5.6
150.06084	2.3
150.10443	0.6
150.96803	4.0
151.97659	0.6
152.04007	1.4
154.97729	11.0
154.99005	0.6
155.07043	6.2
155.97401	0.5
156.05035	0.4
159.05009	1.7
161.02921	1.0
167.97084	1.4
167.98283	9.5
168.03593	2.0
168.04897	0.4
172.98796	18.6
173.02817	1.1
173.04137	2.4
173.06522	2.5
173.08145	8.3
173.13240	1.9
173.98402	0.9
174.06100	4.3
177.06110	0.9
190.99812	1.2
191.05313	0.7
191.07607	4.2
192.07211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51038	0.7
53.03943	1.5
55.01860	3.3
55.05241	1.6
55.05505	28.9
57.03428	3.8
65.03931	1.2
65.60858	0.9
67.05504	4.4
69.03426	1.2
69.07059	1.5
71.01348	1.0
71.04983	1.7
71.47462	0.8
72.04508	10.9
79.05461	1.5
81.03381	1.5
82.07882	0.8
82.54490	0.7
83.04974	100.0
83.08617	2.4
84.05301	0.9
85.02896	82.2
86.03214	1.4
87.04445	2.8
89.07147	7.0
97.47079	0.8
97.47720	0.8
107.01318	2.0
107.08514	1.0
109.02866	1.9
111.04433	27.9
115.05464	1.0
125.02306	1.0
127.03897	1.9
128.06194	5.5
129.05495	5.9
129.06992	1.0
143.08508	4.2
153.01811	2.4
153.07013	1.1
156.09373	2.7
171.02936	1.1
171.06624	2.0
171.08031	5.8
171.10193	1.1
171.11684	2.9
171.14934	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	171.0652
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03942	1.0
54.10264	0.3
55.01870	4.9
55.05511	5.8
56.05035	0.5
56.19984	0.4
56.96566	3.3
56.96811	0.5
57.03434	0.9
57.07090	0.4
58.06596	0.6
59.06123	0.5
60.04515	0.4
60.57021	0.4
61.01160	0.3
65.03941	26.5
65.22128	0.4
67.05498	3.1
68.02645	0.5
68.05026	0.5
68.99790	9.1
69.03421	2.4
69.04556	0.6
69.07075	2.1
70.06589	1.7
70.94254	1.1
71.04993	0.7
71.06094	0.5
71.26711	1.0
72.04514	8.5
72.08157	1.5
72.93784	5.6
79.01875	0.8
79.05497	2.1
81.03416	9.4
81.04517	0.6
81.07050	1.1
82.06599	0.6
82.45124	0.3
83.01341	0.9
83.04977	11.9
83.06081	0.6
83.08611	3.2
83.28097	0.3
84.04498	1.1
84.05661	0.5
84.08135	0.9
85.02888	0.7
85.04015	0.5
86.06059	0.7
87.04464	0.7
87.05592	0.6
88.03973	0.5
88.93298	0.7
88.95290	1.1
89.07156	6.3
89.96417	0.7
90.94819	1.4
93.03400	5.1
93.07043	0.7
95.04958	1.4
95.08582	0.6
96.02079	1.9
96.04444	0.5
96.05606	0.8
96.08116	0.4
97.02875	2.1
97.03991	0.5
97.06517	1.0
97.07670	0.7
98.06065	0.8
98.07179	0.7
99.05585	0.5
99.94861	0.7
100.03978	0.5
100.08755	0.5
106.96352	0.4
107.01318	4.1
107.04977	0.4
107.08588	0.8
108.95864	0.7
109.02885	6.8
109.07632	0.5
111.04440	94.0
111.09167	2.2
112.04025	0.6
112.04788	2.1
112.07612	0.7
113.07135	0.5
113.96394	0.9
114.06583	0.4
114.60129	0.4
116.98631	0.6
117.95875	0.5
121.02887	1.4
121.03989	7.2
125.02345	4.7
125.05984	1.3
125.07038	0.5
125.09609	0.9
125.11549	0.8
126.05544	0.7
126.06606	0.5
126.09129	0.8
127.03924	6.0
128.04251	0.6
128.06238	4.8
128.98643	0.5
129.06996	0.9
131.97411	1.2
134.99643	0.5
135.04462	0.5
138.54137	1.0
139.00279	1.4
139.03899	100.0
140.04234	2.3
141.06940	0.8
142.07799	0.6
143.03407	1.0
143.05957	0.5
143.08571	4.3
145.06502	0.7
146.98544	0.4
146.99632	0.9
147.54636	0.6
147.69275	0.4
147.96916	7.0
148.97343	1.5
153.01826	5.5
153.05437	0.8
153.09033	0.4
153.12727	0.5
154.06111	0.6
156.03857	0.8
156.09341	2.3
157.01300	2.2
165.97987	5.7
166.00211	0.7
170.98531	1.4
171.01427	0.7
171.02910	4.3
171.06505	4.9
171.08055	2.8
171.10075	0.8
171.11746	2.1
171.14941	4.0
172.09660	0.5
173.98430	0.5
177.02991	0.5
183.52724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.3
53.03938	0.8
55.01870	4.0
55.05508	6.1
56.05032	0.7
56.79350	0.4
56.96561	4.6
57.04554	0.3
57.07066	0.6
65.03937	24.0
66.04285	0.7
67.05489	2.6
68.05022	0.7
68.96342	0.4
68.99787	8.8
69.03416	2.8
69.07069	1.1
69.31478	0.3
70.06588	1.3
70.94254	0.8
71.01357	0.8
71.04978	0.9
71.06084	0.5
71.25948	0.8
72.04509	6.8
72.08141	1.0
72.93787	4.6
73.04043	0.5
75.05602	0.4
79.01862	1.4
79.05478	0.9
80.05042	0.3
81.03413	8.4
81.07060	0.9
82.06582	0.3
83.01345	1.0
83.04974	12.9
83.06110	0.9
83.08606	2.0
84.04494	1.0
84.08152	0.6
85.02904	0.5
85.04012	0.4
85.06520	0.6
85.07690	0.4
88.93233	0.4
88.95303	1.0
89.07150	5.7
89.96390	0.5
90.94827	1.5
93.03404	4.3
93.07055	0.5
94.06532	0.5
95.04958	0.9
95.06107	0.5
95.08632	0.5
96.02113	1.4
96.04469	0.5
96.08118	0.6
97.02901	2.2
97.06490	1.1
97.07632	0.6
98.06091	0.4
98.97588	0.8
99.04491	0.6
99.05595	0.8
99.94827	0.4
107.01302	4.5
107.08631	0.7
109.02870	6.4
109.06547	0.6
109.07671	0.3
110.03652	0.6
110.97517	0.5
111.00811	0.8
111.04435	97.1
111.09197	1.4
112.04736	1.7
112.07574	0.6
113.10738	0.3
113.96335	0.6
114.06668	0.9
115.05461	0.8
116.98594	0.7
117.95883	0.5
121.02882	1.4
121.03985	6.8
125.02338	3.4
125.06006	1.3
125.07022	0.3
125.96060	0.3
126.05533	0.4
126.06532	0.4
127.03910	5.4
128.04283	1.1
128.06209	3.9
128.07088	0.5
128.98605	0.8
129.06987	0.6
129.97882	0.4
131.97429	1.2
134.99622	1.0
135.00630	0.3
139.00339	2.3
139.03889	100.0
140.04201	1.9
141.06978	0.7
142.07764	0.6
143.03383	0.6
143.05972	0.5
143.08568	4.2
145.06471	0.5
146.99631	0.9
147.96906	6.8
148.97379	1.1
153.00650	0.6
153.01830	5.3
153.03015	0.2
153.05405	0.8
153.09128	0.5
153.10263	0.5
154.08595	0.5
154.09747	0.4
155.08353	0.4
155.97440	0.4
156.03738	1.5
156.09306	1.6
157.01323	3.8
165.97952	5.7
166.00107	0.5
170.98468	1.0
171.02905	3.8
171.06454	5.6
171.08044	2.6
171.10043	0.7
171.11549	1.8
171.14917	3.5
171.98907	0.5
172.07396	0.4
172.09601	0.5
173.71396	0.3
173.98450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0288
Annotation	Gallic acid
Peak:m/z	Relative Intensity
51.02360	1.1
53.03942	6.8
55.01642	1.4
55.01868	15.1
55.05510	7.9
56.05032	2.2
56.96561	42.7
57.03418	2.7
57.04543	1.3
57.07052	1.5
58.06590	1.8
59.06098	2.0
65.03926	4.1
67.05491	3.0
68.99780	5.2
69.03415	8.1
69.07047	3.0
70.06574	4.5
70.94239	3.7
70.95825	2.7
71.04974	1.2
71.94086	2.1
71.95238	3.1
72.04508	18.6
72.08144	3.7
72.93784	12.7
73.02895	1.2
73.04057	1.1
74.06070	1.4
74.51446	1.1
74.97576	1.1
79.01848	10.6
79.05457	3.0
81.03410	76.1
81.04467	2.2
81.07040	1.5
82.03740	1.6
82.06567	2.3
83.01327	2.5
83.04957	4.6
83.06088	2.3
83.08607	5.4
83.97623	1.1
84.04482	1.8
84.08118	2.9
84.96008	1.7
85.02882	2.7
85.07674	2.3
86.06055	1.5
87.05564	1.2
88.95273	2.3
89.07148	13.7
89.90668	2.7
89.96396	2.5
90.94804	3.3
94.68289	1.1
95.04955	1.9
95.08599	1.1
95.19454	0.9
96.02097	3.1
96.05585	1.1
96.08115	1.0
97.02882	9.5
97.06484	2.7
97.07653	1.4
98.06059	2.3
98.07195	1.2
98.97581	10.1
99.05614	1.4
99.33326	1.5
100.02494	1.2
101.02368	1.5
102.01546	1.1
106.96267	1.0
107.01307	78.4
107.04978	2.5
108.01638	2.6
109.02868	100.0
109.07631	1.5
110.03206	2.8
110.07158	1.9
110.97566	3.9
111.00788	1.6
111.04433	10.6
111.05594	1.3
111.09172	4.0
112.07580	1.6
112.08762	1.1
112.96676	1.1
113.07175	1.3
113.96394	1.7
114.06628	1.3
115.02197	1.2
115.05424	1.7
116.98603	11.4
118.03465	1.5
119.01907	8.5
120.03331	1.1
121.02879	1.8
125.02345	59.3
125.05959	3.4
125.07050	1.9
125.09640	1.5
125.10715	1.2
126.02690	1.6
126.06652	1.1
127.03906	83.2
128.04224	2.3
128.06210	9.3
128.98613	9.0
129.06952	1.2
129.98032	1.2
130.96227	1.1
131.00075	1.1
131.97444	2.1
134.99637	13.1
135.00751	6.7
135.06314	8.0
136.06139	1.1
137.03436	0.9
139.00235	19.6
139.03867	7.2
141.06931	1.2
143.00066	1.3
143.01639	5.2
143.03360	3.8
143.08536	8.2
145.06436	1.1
146.99638	13.8
147.03186	1.4
147.96870	16.9
147.99066	2.7
148.94351	1.8
148.97357	3.5
153.00851	3.3
153.01813	83.0
153.07442	11.2
153.08604	1.2
153.09103	1.2
153.10187	1.6
153.97897	1.3
154.02115	1.6
156.09290	4.8
157.01318	23.5
160.12273	1.1
161.01176	2.5
165.00705	3.9
165.97961	13.9
166.00221	3.5
170.98488	3.0
171.01096	4.4
171.02875	41.3
171.04367	2.4
171.06488	2.2
171.08040	5.4
171.10046	2.0
171.11383	6.0
171.14896	7.8
171.98965	1.0
172.03085	2.2
172.10867	1.7
173.98558	1.7
189.00635	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	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.01994	0.2
53.03929	0.5
55.01869	1.3
55.05499	0.3
56.05037	1.3
56.96561	8.4
57.03428	0.8
58.06569	0.4
58.96109	0.3
60.04503	0.5
60.95838	0.2
62.45703	0.2
62.88051	0.2
64.25279	0.3
65.03937	0.4
66.78664	0.3
67.05470	0.3
68.05009	0.6
68.99784	0.4
69.03407	1.1
69.07056	0.3
69.92542	0.2
70.06570	0.5
70.98091	0.4
71.41833	0.5
71.94103	0.5
71.95271	0.4
72.04494	0.5
72.93779	0.3
72.96045	0.2
73.02903	0.4
74.97608	0.5
75.37353	0.2
79.01841	0.4
79.05488	1.7
80.04990	0.5
81.03411	3.4
81.05772	0.9
81.07040	0.3
82.06548	0.5
83.04970	0.7
83.06085	1.0
84.04478	0.7
84.08124	0.4
84.94895	0.4
85.02888	0.9
86.54285	0.3
87.04487	0.4
88.02238	0.4
88.99146	0.3
91.02329	0.5
93.05753	0.5
94.06564	0.7
95.04943	0.3
95.06057	0.4
96.06853	0.3
96.08112	2.3
97.02876	0.9
97.05122	0.3
97.06505	0.4
97.07603	0.4
97.99171	0.4
98.97588	1.5
99.06689	0.3
103.02405	0.5
106.06554	1.5
107.01305	3.1
107.04972	0.6
109.02871	4.5
109.07627	0.8
110.05998	0.3
110.07154	0.7
110.97554	1.1
111.00840	0.4
111.06689	0.4
112.99129	0.4
113.02364	0.3
114.05504	0.6
115.03904	0.3
116.00227	0.4
116.98609	1.2
118.03500	0.4
119.01862	1.9
120.02000	0.9
122.05994	0.3
123.06756	1.0
124.07573	7.4
124.08685	3.9
125.02367	2.5
125.04557	0.7
125.07045	0.6
125.10690	0.6
127.03912	4.4
127.06057	0.4
128.04539	0.3
128.98610	1.8
129.99033	0.2
131.00145	0.6
132.05109	0.3
134.06000	70.0
134.99640	0.5
135.00699	0.3
135.04434	0.4
135.06332	1.8
136.06175	2.8
137.04645	0.4
139.00255	1.6
142.05003	0.4
142.08623	0.6
143.03363	0.3
146.03526	0.6
146.97260	1.2
146.99646	2.0
147.01355	0.7
147.03189	0.7
147.04965	0.4
149.01216	0.5
150.05373	0.3
152.07053	100.0
153.00670	0.4
153.01831	3.6
153.05510	1.5
153.07448	3.5
153.10167	0.3
157.01309	1.6
164.98289	0.5
165.00702	0.8
165.02345	0.3
165.08447	0.3
165.97974	0.3
170.02985	0.6
170.08115	12.7
170.09439	0.9
170.12906	0.4
171.01553	0.4
171.02852	1.9
171.08478	0.5
188.02251	0.4
188.96979	0.3
189.00697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01634	0.7
55.01869	7.3
55.05504	3.7
55.93510	1.0
56.05023	4.4
56.96558	21.8
57.03424	2.0
58.06583	1.6
58.54446	0.6
59.04996	1.2
60.35492	0.5
60.95846	1.4
61.02916	1.4
65.03925	1.7
65.25713	0.6
67.05501	3.3
68.05020	4.6
68.98293	0.7
68.99780	2.1
69.03409	4.1
69.07037	1.1
70.06581	11.4
70.38634	0.6
70.98092	0.7
71.04972	1.3
71.71731	0.9
71.94085	0.7
71.95232	1.6
72.04508	3.2
72.08144	1.7
72.93812	0.6
73.02905	2.7
74.06036	0.8
74.97590	1.8
77.00874	0.7
79.01830	0.8
79.05492	2.9
80.04990	1.4
81.03409	7.1
81.04514	1.7
81.05797	0.7
81.07066	0.8
82.06576	4.3
83.01307	1.1
83.04992	4.2
83.06087	10.9
83.08592	0.6
84.04494	3.3
84.08120	1.2
85.02893	3.4
85.07636	0.7
86.06052	1.2
87.04452	1.7
88.96812	0.9
89.07139	1.8
90.94799	0.7
92.04985	1.8
93.03387	1.1
93.05797	3.8
93.07000	0.7
94.06551	1.0
95.04937	2.0
95.06082	1.8
96.04474	2.0
96.06868	7.3
96.07442	0.8
96.07568	0.9
96.08116	10.6
97.02864	3.2
97.07655	4.8
97.83082	0.7
98.01297	0.6
98.06053	1.1
98.97577	6.2
99.00761	0.6
99.04440	0.6
99.09245	0.7
100.02470	2.2
100.04013	0.7
100.07616	1.1
101.00822	1.8
102.00961	0.7
102.02320	1.4
103.02453	3.9
105.00380	0.7
105.53433	0.7
106.06538	4.6
107.00153	0.9
107.01292	6.8
107.04945	0.8
107.06075	0.8
107.08613	0.7
108.08083	1.5
109.02870	8.5
109.06454	0.7
109.07634	11.9
110.01247	1.2
110.03175	0.8
110.06011	2.6
110.97557	4.1
111.00806	1.3
111.02041	0.8
111.04436	5.0
111.05544	0.6
111.09221	1.2
112.07611	0.9
112.63177	0.6
114.05499	2.0
114.09138	2.2
114.69132	0.6
115.03938	1.1
115.05473	0.8
116.00287	0.7
116.97233	1.1
116.98595	5.9
117.02085	1.0
118.03512	2.6
119.01897	13.0
120.02010	2.2
121.01637	1.8
121.03471	2.5
123.06771	1.4
123.09156	1.1
124.04972	1.8
124.07596	17.9
124.08697	72.2
124.11192	2.6
125.02412	3.8
125.07132	4.4
125.09076	1.3
126.05488	1.0
126.09148	0.8
127.03925	6.9
127.08645	0.8
128.02505	1.1
128.06241	1.3
128.07074	1.3
128.95071	1.3
128.98592	10.9
129.00279	0.8
129.02165	0.7
130.04945	0.9
130.77391	0.6
131.01921	2.0
133.01645	2.5
133.03452	3.3
134.05998	67.2
134.99666	5.9
135.03169	1.0
135.06361	2.2
135.09236	0.6
136.06140	2.3
137.02905	2.9
138.03059	1.0
138.05443	0.8
139.00255	7.8
139.03876	3.6
140.23460	0.6
141.10258	1.1
142.03439	1.7
142.04945	1.8
142.05826	1.7
142.08626	6.9
143.08589	1.1
145.03502	3.6
146.03577	12.0
146.96135	1.8
146.97276	1.7
146.99628	20.0
147.01376	12.7
147.03157	9.5
147.05022	2.2
149.01083	0.8
151.02580	0.7
151.04355	0.8
152.07050	100.0
153.01805	6.7
153.07478	4.1
156.03137	0.7
156.05319	1.1
156.09338	1.2
157.01303	13.9
157.03412	0.8
158.01259	1.1
158.06596	0.7
161.01294	1.0
161.02808	0.9
164.04681	1.9
165.00703	5.5
165.02423	2.6
165.04266	2.3
169.05153	0.9
170.01236	2.0
170.02997	7.3
170.05806	1.8
170.08104	28.8
170.09436	10.5
170.11557	4.2
170.12772	0.9
171.01431	1.0
171.02840	5.8
171.05074	1.3
171.07771	1.4
171.14891	0.9
176.07587	0.8
183.01683	0.8
185.36102	0.7
188.07643	0.8
189.00769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03946	0.6
55.01875	1.4
55.05505	2.0
56.05030	0.9
56.96555	0.6
57.03435	1.1
57.07059	0.6
58.06599	0.7
59.05000	0.6
59.06123	1.6
62.65886	0.4
65.03940	2.4
67.01859	27.9
67.05495	6.9
68.05029	0.8
68.99781	7.8
69.00137	0.5
69.03428	1.3
69.07074	1.2
70.06590	1.5
70.22150	2.0
71.04991	1.2
71.07389	0.5
72.08143	1.4
79.05502	1.8
81.03419	5.5
81.07056	3.8
82.06561	0.9
83.04977	5.9
83.06101	1.4
84.08147	1.9
84.78329	0.4
85.02898	21.2
85.06556	0.6
85.07677	0.6
86.06086	0.5
86.08424	0.7
86.09694	0.4
91.05506	1.0
92.04998	0.8
93.03456	0.6
93.05761	0.9
93.07051	0.9
94.06562	1.0
95.04961	8.7
95.06076	0.5
95.08610	3.2
96.08112	0.6
97.02897	0.6
97.06557	0.6
97.07658	0.9
98.03685	1.4
98.07137	0.6
99.04462	1.7
105.07029	0.7
107.04960	0.6
107.08619	1.6
109.02869	10.9
109.06534	2.0
109.07638	1.6
109.10166	1.9
110.06046	0.7
110.07168	1.5
111.00803	6.6
111.04436	4.1
111.05568	0.6
111.08043	1.2
111.08478	0.5
111.09190	6.1
113.06006	0.7
113.10763	0.6
113.51022	0.4
116.51990	0.6
122.28645	0.5
123.04421	32.7
123.08075	2.0
123.11684	1.2
124.04750	0.9
124.07547	0.9
124.08698	1.1
125.06020	0.8
125.10761	0.7
126.03123	9.7
126.10283	0.8
127.03909	20.2
127.07548	0.9
128.04315	0.6
128.95123	0.6
129.01822	1.0
133.02838	1.3
137.02313	0.8
141.05453	24.8
142.05835	0.7
142.08597	0.7
146.96136	0.7
151.03894	71.2
151.07538	1.3
151.11209	0.7
152.04234	1.9
152.08157	0.6
152.11877	0.5
153.07031	0.5
154.02641	1.1
154.07726	2.6
163.97658	0.8
169.04953	100.0
169.10051	2.1
169.14473	1.1
170.05252	3.4
170.08212	0.8
170.09602	1.9
180.11238	0.5
181.98756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	3-Hydroxymandelic acid
Peak:m/z	Relative Intensity
53.03925	1.4
55.01842	1.2
56.05016	0.4
56.98503	0.3
63.52331	0.3
65.03909	1.6
67.05495	12.5
68.99778	3.7
69.03422	3.8
69.07040	0.6
71.04990	0.4
71.41495	0.8
77.03908	0.6
79.05482	2.7
81.03416	3.3
81.07027	1.3
83.04977	0.9
85.02879	0.5
88.27234	0.4
93.05746	0.5
93.06998	0.5
95.04957	27.4
95.08574	0.7
96.05245	0.5
96.05779	0.4
97.02872	0.3
97.06513	0.5
99.00812	0.4
99.04465	0.5
105.03378	1.0
107.04947	0.9
109.02876	4.0
109.03571	0.6
109.06509	0.8
109.10149	0.9
110.03185	0.4
110.07206	0.5
111.00786	1.8
111.04449	0.9
112.52423	0.4
115.05428	1.2
123.04416	100.0
123.11633	0.6
123.32825	0.4
124.04712	1.5
124.05317	0.9
124.07625	0.5
125.05978	3.6
126.03104	2.6
127.03906	3.3
133.02823	0.4
141.05446	9.2
141.07008	2.5
142.33977	0.4
151.03885	38.7
152.04251	1.4
153.06862	0.5
153.47449	0.4
154.07758	1.4
163.97734	0.6
169.04973	33.4
169.06450	4.7
169.08704	0.7
169.09958	1.8
170.05299	0.6
170.07188	0.7
174.04411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3,4-Dihydroxyphenylacetate
Peak:m/z	Relative Intensity
51.02372	1.1
53.03951	2.0
55.01854	1.9
55.05502	1.5
56.05024	0.6
56.96557	0.4
58.06567	0.4
59.06112	1.9
65.03936	2.3
67.01829	0.5
67.05503	8.0
68.04995	0.8
68.99792	2.7
69.03411	0.7
70.06577	1.3
70.62814	1.5
71.04974	0.7
72.08134	1.4
77.03923	4.9
79.05479	1.1
81.03407	4.2
81.07046	1.6
83.04984	3.7
83.06091	1.1
84.04538	0.5
84.08134	1.3
85.02885	3.5
93.03378	0.4
93.07015	0.7
94.06588	0.8
95.04965	21.6
95.08636	0.8
97.02863	1.0
98.07172	0.7
98.21307	0.5
99.04426	0.6
105.03391	11.9
105.04473	0.9
109.02876	7.7
109.06511	0.8
109.07641	1.2
109.10160	0.7
110.07211	1.0
111.00801	4.4
111.04441	2.5
111.09202	4.3
113.06002	0.4
123.04422	49.8
123.08022	0.8
123.11723	0.8
124.04787	1.4
124.07616	0.7
124.08700	0.9
124.11225	0.4
125.02341	0.9
125.05962	1.3
126.03127	7.4
126.10249	0.5
127.03933	1.7
128.95081	0.5
133.02844	100.0
134.03177	3.4
137.02304	0.7
139.03871	1.1
140.04391	0.5
141.04350	1.0
141.05455	18.9
142.05859	0.5
142.13461	0.5
146.96181	0.6
151.03896	15.5
152.08182	0.6
153.01852	0.8
154.02600	1.3
154.07793	1.2
163.97678	0.5
169.04964	16.2
169.10031	1.4
169.14453	0.6
170.08211	0.5
170.09622	1.2
172.62692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0656
Annotation	3-Hydroxy-4-methylanthranilate
Peak:m/z	Relative Intensity
50.58538	1.4
53.03954	6.9
53.66758	1.3
54.03465	1.4
55.01866	6.4
55.05495	6.1
56.05035	9.3
56.94300	2.0
56.96562	100.0
57.03424	7.4
57.04536	1.4
57.07047	1.6
58.06579	3.6
59.06115	3.0
60.04517	3.1
61.02917	2.9
65.03926	8.1
66.04227	1.7
67.05499	11.7
67.92506	60.3
68.05011	7.6
68.99784	4.7
69.03422	9.9
69.07044	6.1
70.06598	7.9
70.95802	1.5
71.01356	1.5
71.04965	4.8
71.06097	1.4
71.95232	2.6
72.04503	2.5
72.08126	2.3
72.93778	3.8
73.02923	6.7
74.97588	5.3
75.05563	1.6
78.39969	1.3
79.05474	5.9
80.05003	7.8
81.03412	24.6
81.04506	4.6
81.05789	1.6
81.07022	6.0
82.06580	6.7
82.94839	93.5
83.04976	7.7
83.06100	6.4
84.04497	6.9
84.08119	6.0
84.96033	15.8
85.02904	12.6
85.07663	1.4
85.93543	10.7
86.06051	4.2
90.94830	2.0
91.00517	10.5
91.05475	2.0
92.04970	4.7
93.03406	2.4
93.07022	2.6
94.06551	18.5
95.01309	2.8
95.04979	13.5
95.06048	4.7
95.08591	3.7
96.04455	3.4
96.08121	3.4
97.02885	10.7
97.06523	2.1
97.07676	7.5
97.99123	2.1
98.03647	1.9
98.06047	6.5
98.21456	4.1
98.97586	14.1
99.04444	9.1
99.05534	2.7
100.01016	7.2
100.02477	1.8
100.03989	1.5
100.95876	19.7
100.99168	2.7
102.94839	2.8
102.97024	2.8
103.00520	2.4
104.01240	1.9
105.02017	2.7
105.03367	4.2
105.07023	1.7
106.06532	3.0
107.04933	3.0
107.05997	1.4
108.04497	9.5
109.02875	47.0
109.07638	18.4
110.01258	2.4
110.03653	1.8
110.06048	7.6
110.07155	4.3
110.07838	1.3
110.97549	1.7
111.00780	7.3
111.02087	2.8
111.04444	11.0
111.05549	2.0
111.09213	8.4
112.01017	21.2
112.03990	2.2
112.07590	4.5
113.02344	5.3
113.52276	1.3
116.00165	3.3
116.98608	13.9
117.02085	1.5
119.00195	2.9
119.01813	7.5
120.98083	1.8
121.01557	25.9
121.99370	3.1
122.02040	1.7
122.06027	25.7
122.07004	2.1
122.09681	3.3
123.04408	18.6
123.05513	3.8
123.08061	1.8
123.09159	6.6
123.51778	3.5
123.97448	59.8
124.03873	1.7
124.07577	3.7
124.08543	1.8
125.06020	3.2
125.07060	4.3
125.95374	2.1
126.03156	15.8
126.05492	9.1
126.06475	2.5
126.10242	2.9
126.93771	30.7
126.97046	2.4
127.02431	2.0
127.03915	23.1
127.04911	2.1
127.08643	1.7
128.02292	5.3
128.98599	3.2
131.00255	2.3
131.01909	1.9
132.04454	2.3
133.02818	18.5
133.05118	2.6
133.07628	2.0
134.05980	2.1
134.99664	10.5
137.05946	2.8
138.10246	1.9
139.02707	2.7
139.03899	5.8
140.00316	3.0
140.03346	5.7
140.04254	5.1
140.07042	7.1
140.08041	2.4
141.05457	36.1
141.06528	1.7
141.10188	2.2
144.03271	2.4
144.94830	28.7
144.95836	6.9
144.98074	11.4
145.01764	2.6
145.03473	19.0
145.51201	1.9
146.99625	6.2
149.01189	4.5
150.05495	55.8
150.06577	2.4
150.09152	1.5
150.10268	2.2
151.03882	9.7
151.04941	2.2
151.06046	3.8
151.07466	2.2
151.08650	5.3
152.07005	2.7
153.06966	4.9
154.02631	1.9
154.04974	34.8
154.07657	2.1
156.03433	2.8
158.01196	1.8
158.99672	1.7
159.03268	1.6
161.01192	2.8
161.04810	2.0
162.95848	74.6
162.99104	26.2
163.00436	3.2
163.02753	5.4
163.04474	5.9
163.97630	2.2
167.96382	9.8
168.02725	3.5
168.04915	12.3
168.06532	89.5
168.11346	11.4
168.98059	1.5
169.01369	5.3
169.03543	2.1
169.04948	16.9
169.06409	2.4
169.06877	1.7
169.09741	2.5
172.95178	2.2
174.04349	4.6
177.04230	1.8
180.96922	3.8
181.00151	9.3
181.03714	1.3
181.98790	1.6
185.97432	17.1
186.00735	3.3
186.04396	2.1
186.99146	3.4
187.02766	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.44562	0.3
51.02376	0.3
52.03146	0.4
53.03931	1.2
55.01855	0.9
55.05497	1.6
56.05023	0.3
56.96548	0.9
57.03428	0.6
57.95044	0.3
65.03931	1.3
66.04701	0.9
67.01868	0.3
67.05508	2.2
69.03426	1.0
69.07058	2.5
70.06576	0.7
70.96960	1.0
71.04966	0.9
71.23288	0.3
77.03899	0.5
78.04707	16.2
79.05083	0.4
79.05484	8.0
80.05029	0.3
81.03400	1.1
81.04537	0.3
81.07053	5.0
81.07511	0.5
82.06545	0.5
83.04991	1.6
83.08602	0.7
84.96030	0.8
85.02898	0.6
85.06548	0.4
90.46224	0.3
91.05478	2.0
93.03390	1.4
93.07034	6.4
94.04178	1.0
94.06565	0.4
95.04961	4.8
95.08614	1.6
96.05743	1.3
97.02883	0.7
97.06528	2.1
97.07618	0.3
99.04432	0.5
102.94868	0.4
103.05464	0.3
105.03357	1.2
105.04478	0.4
105.07021	1.4
106.03522	0.5
106.04160	5.0
107.04945	4.6
107.08574	4.3
109.02876	2.6
109.06506	3.2
109.07591	0.6
109.10130	0.4
110.03658	0.3
111.04450	2.1
111.08045	1.0
111.09216	0.4
113.96391	0.5
121.01675	1.5
121.02882	1.7
121.06513	3.2
121.08355	0.5
121.10114	4.5
122.03640	1.2
122.06030	0.4
122.07084	0.9
122.09627	0.4
123.04420	27.0
123.08046	0.8
123.11702	0.6
124.05216	8.4
124.36163	0.3
125.02308	0.3
125.05995	2.5
125.08261	0.9
125.09596	0.5
126.05485	0.7
131.97513	0.3
134.03630	1.3
134.43001	0.3
135.04395	1.1
137.02315	0.8
137.05933	1.5
137.08086	0.4
138.03087	0.7
139.02678	0.9
139.03879	0.9
139.07538	1.1
139.11143	0.9
143.96684	0.9
144.03238	0.6
145.98987	0.5
149.02315	2.5
149.05984	0.9
149.09581	2.0
149.13269	0.8
150.05525	0.6
150.10243	0.4
151.03894	6.1
152.04683	5.3
152.06012	0.4
153.06993	0.7
155.07063	0.4
162.04257	0.4
167.03398	4.9
167.07027	100.0
167.10585	2.2
168.04123	0.7
168.07497	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	168.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03770	0.4
53.04016	0.8
55.01937	0.6
55.05563	0.3
56.96338	0.3
56.96640	1.7
65.03696	0.4
65.04023	0.8
67.05578	0.9
67.92192	0.3
67.92584	3.1
68.05102	0.8
68.05902	0.4
68.99836	0.5
69.03505	0.6
69.07126	0.5
70.06672	0.7
70.95940	0.2
71.05031	0.2
71.70550	0.3
72.04588	0.2
72.08208	0.3
79.05565	0.3
80.05084	1.3
81.03419	1.7
81.07114	0.5
82.06656	0.7
82.94392	0.3
82.94839	4.6
83.05035	0.6
83.06133	0.5
84.04572	0.7
84.08221	0.4
84.96049	0.4
85.02959	0.7
85.93626	0.8
86.06123	0.3
92.04998	11.1
93.03446	0.4
94.03763	0.3
94.06640	0.7
95.01390	0.8
95.05038	0.6
95.06140	0.3
95.08698	0.2
96.08188	0.3
97.02941	0.3
97.07725	0.7
98.06126	0.8
98.97630	0.4
99.04456	0.3
99.05658	0.2
100.95942	0.8
107.05003	0.2
108.04474	3.9
109.02864	3.1
109.07626	1.3
110.06087	0.8
111.00861	1.0
111.04447	1.1
111.05627	0.3
111.09262	0.8
112.04044	0.2
112.04866	0.3
112.07620	0.5
113.07169	0.3
119.01910	0.3
121.96725	0.2
122.06069	0.9
122.09683	0.3
123.04475	0.8
123.05644	0.2
123.09206	0.5
123.97440	2.6
124.03960	0.3
124.04781	0.2
124.07647	0.3
125.04642	0.3
125.06041	0.4
125.07127	0.3
126.03118	1.3
126.05524	1.0
126.06701	0.4
126.93783	2.2
127.03921	1.3
133.02895	0.9
134.05925	0.2
136.03914	1.6
137.02377	0.4
137.06049	0.3
139.03905	1.5
140.04228	8.9
140.07089	0.4
141.04445	0.2
141.05457	3.5
144.94833	1.5
144.95888	0.7
144.98082	0.2
145.03456	0.4
150.05479	1.3
151.03853	0.4
151.08690	1.3
151.10609	0.2
153.06987	0.7
154.04980	100.0
155.05371	2.2
156.03300	1.5
162.95833	3.8
162.96832	0.3
162.99141	0.5
167.96411	0.7
168.06529	11.4
168.11293	0.9
169.04948	1.4
169.06819	0.3
169.09793	0.4
174.04350	3.1
183.97908	0.2
185.97403	0.9
186.04326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	3-Ethoxy-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02387	1.0
53.03925	1.8
54.03462	0.7
55.01860	2.6
55.05506	3.9
56.05039	3.9
57.05791	0.7
58.06583	1.0
59.06113	3.4
61.14935	0.5
65.03931	5.4
67.05496	4.5
67.11421	0.6
67.92478	0.6
68.05032	4.4
69.03407	1.9
69.04540	1.3
69.07043	2.4
70.06580	3.3
70.84618	1.6
71.06078	0.6
71.07356	1.1
72.08141	2.3
73.02902	4.8
76.15374	0.5
78.04704	14.6
79.05482	9.5
80.04985	1.1
81.03403	3.0
81.04528	2.0
81.07048	3.6
82.02890	0.7
82.06565	5.9
82.94849	0.6
83.04974	5.4
83.06113	4.6
83.08615	1.3
84.04475	1.3
84.08131	2.3
85.02901	0.6
85.07653	3.2
91.05468	5.2
91.19265	0.5
92.05022	0.5
93.03400	1.5
93.07041	7.8
94.04169	1.4
94.06566	2.9
95.04963	6.8
95.06087	2.4
95.08590	1.9
96.04462	0.6
96.05718	1.5
96.06862	0.9
96.08105	0.7
97.02889	1.1
97.06524	3.0
97.07658	3.9
98.07157	1.4
98.09660	0.7
99.04495	0.7
99.09231	1.0
103.05450	0.9
105.03362	0.8
105.07025	1.4
106.04182	5.3
107.04941	5.6
107.06077	2.0
107.08575	7.6
108.04441	0.7
108.05627	0.8
109.02865	4.8
109.06512	3.3
109.07629	16.0
109.08389	0.8
110.03698	1.0
110.06035	1.5
110.07203	2.9
110.08436	7.9
111.04431	7.6
111.08020	1.9
111.09190	7.9
112.08689	0.8
119.04904	1.9
119.08566	0.6
121.01674	1.7
121.02859	54.6
121.06483	6.8
121.07669	1.0
121.10136	6.3
122.03210	0.7
122.03685	1.5
122.06033	1.4
122.07140	4.3
123.04417	26.3
123.08044	1.7
123.09212	3.0
124.05232	9.3
124.08708	4.8
125.05969	2.1
125.07130	0.8
125.08237	1.6
125.09649	1.2
126.05510	0.9
126.06575	0.7
126.10246	1.4
127.03914	1.4
127.07391	1.4
127.08691	0.7
127.11060	1.1
131.08582	1.1
133.07602	1.0
134.03653	1.3
135.04369	1.4
137.02333	0.8
137.05962	1.9
137.08160	0.9
138.03162	0.7
138.10234	0.6
139.02704	2.3
139.03885	7.6
139.07558	3.2
139.11182	0.8
140.07059	0.9
140.08159	0.8
140.11778	0.9
144.03233	2.3
149.02333	6.8
149.04924	0.7
149.05971	11.8
149.08241	0.9
149.09637	2.6
149.10693	0.5
150.05470	1.3
150.06569	1.7
150.10248	15.3
151.03888	4.8
151.08652	1.0
152.04674	6.0
167.03403	9.6
167.07027	100.0
167.10538	3.8
167.12943	5.1
167.14297	1.5
168.04225	1.2
168.06531	3.9
168.07573	2.2
168.11324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.93896	0.4
51.02357	0.4
52.03148	0.4
53.03946	1.7
55.01860	0.7
55.05489	0.8
56.05032	0.4
59.05611	0.3
59.06106	0.5
65.03904	0.8
66.04691	1.1
67.05491	1.3
68.05006	0.4
68.99792	0.5
69.03445	0.4
69.07063	0.6
70.06564	0.4
70.66209	1.1
76.24953	0.3
77.03964	0.4
78.04703	16.7
79.05045	0.6
79.05481	6.4
81.03414	1.0
81.04528	0.4
81.07037	1.6
82.06563	1.4
83.04971	0.5
83.06078	0.9
84.08144	0.4
85.02858	0.5
85.07630	0.5
91.05469	1.6
92.02632	0.4
93.03377	1.1
93.07034	3.0
94.04182	0.8
94.06548	0.4
95.04958	3.9
95.06030	0.4
95.08567	0.6
96.05767	1.7
97.06512	0.9
97.07638	0.5
103.39266	0.3
105.03369	1.4
105.04501	0.6
105.07011	0.4
106.04169	6.0
107.04976	3.1
107.06072	0.4
107.08582	1.4
109.02850	1.9
109.06493	1.5
109.07609	2.6
110.07165	0.6
110.08398	1.0
111.04404	1.3
111.09199	0.8
116.75590	0.4
119.04924	0.5
121.02885	2.7
121.06481	1.2
121.10116	1.5
122.03652	1.5
122.07140	1.2
123.04414	28.6
123.09206	0.4
124.05226	9.0
124.08706	0.8
125.05941	1.0
134.03615	1.4
135.04391	1.0
137.02319	0.6
137.05951	1.1
138.03174	0.5
139.03893	0.8
139.07571	0.4
139.11124	0.4
144.03229	0.6
146.19601	0.3
149.02304	1.2
149.05963	0.9
149.09544	0.6
150.03221	0.5
150.10239	2.9
151.03882	4.8
152.04686	6.0
165.05533	0.6
167.07018	100.0
167.12915	1.0
168.07417	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	167.0338
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
50.51263	0.2
53.03942	1.1
55.01864	1.9
55.05497	0.9
57.03417	0.2
58.99817	0.2
65.03941	1.1
67.01549	0.2
67.01858	1.7
67.05495	0.3
67.79630	0.2
68.02632	0.6
68.99783	8.3
69.03430	1.1
69.07085	0.2
69.55042	1.6
71.01337	0.5
71.04979	0.3
72.71149	0.2
79.01850	0.5
79.05496	0.4
81.03406	2.1
81.07027	0.3
83.01315	0.4
83.04973	1.7
83.08604	0.2
85.93546	0.2
91.05505	0.3
93.03391	0.7
93.07027	0.6
94.11855	0.2
96.02089	0.7
97.02883	1.2
97.06451	0.2
99.04439	1.4
107.04958	0.3
107.08562	0.6
108.04589	0.2
108.50901	0.2
109.02885	0.6
111.00800	0.2
111.04434	4.0
121.01646	0.4
121.02862	0.5
121.06485	0.4
121.10117	0.4
123.04401	0.3
124.01559	13.3
124.05173	0.3
125.02329	0.3
125.05968	0.3
127.03880	0.6
137.02332	1.5
139.03897	1.3
144.03151	0.3
149.02341	0.6
152.01033	6.2
152.06184	0.5
167.03383	100.0
167.14081	0.2
168.03725	2.8
170.02089	12.2
171.02419	0.3
179.22600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0338
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.03939	1.2
55.01869	2.3
55.05490	0.5
59.75026	0.2
61.87203	0.3
65.03925	0.8
67.01842	1.0
67.05495	0.8
68.02649	0.5
68.05009	0.2
68.99403	0.5
68.99784	8.8
69.03426	1.3
69.07053	0.4
71.01334	0.7
71.04972	0.4
73.31775	0.2
78.04731	1.2
79.01837	0.3
79.05484	1.2
79.85321	0.2
81.03417	2.9
81.07055	0.4
83.04964	0.9
91.05466	0.6
93.03393	0.6
93.07055	1.6
95.01309	0.2
95.04918	0.6
95.08596	0.4
96.02077	0.7
96.49921	0.3
97.02904	1.4
97.06519	0.4
99.04460	1.1
102.96964	0.2
105.07000	0.3
106.04160	0.5
107.04935	0.5
107.08584	1.5
109.02886	1.2
109.06522	0.4
111.04420	2.5
115.03938	0.3
121.01653	0.7
121.02859	0.7
121.06473	0.7
121.10120	1.0
123.04413	2.3
123.08024	0.4
124.01569	15.6
124.05180	0.7
125.02278	0.4
125.05972	0.5
127.03870	0.6
135.00755	0.3
137.02325	1.6
139.02789	0.4
139.03885	1.5
139.07509	0.6
139.09840	0.2
143.96750	0.3
144.03241	0.7
149.02332	1.0
149.05965	0.3
149.09590	0.4
150.10248	0.4
152.01031	5.5
152.04756	0.4
154.98631	0.3
167.03391	100.0
167.07036	8.6
167.10706	0.9
167.14246	0.2
168.03748	2.9
168.06543	0.3
170.02100	14.5
171.02338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0336
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.00288	0.3
53.03949	2.2
55.01873	1.7
55.05505	5.7
55.71005	0.3
65.03930	2.3
67.05489	1.0
68.99787	3.9
69.03423	1.6
69.07055	0.5
71.01334	0.4
71.71818	0.3
71.72244	0.3
79.05481	0.8
81.03410	2.7
81.07025	0.6
83.01338	3.9
83.04976	10.1
83.08588	0.3
84.96021	0.4
91.05473	0.5
93.03405	1.9
93.07026	0.9
95.04951	0.4
95.08595	0.4
97.02894	2.0
97.06548	0.4
99.04466	0.4
105.82411	0.2
107.04903	0.2
107.08583	0.9
109.02867	0.5
109.06542	0.3
111.04437	3.6
111.08029	0.4
113.22948	0.2
121.01656	0.8
121.02856	1.2
121.06477	0.5
121.10143	0.7
123.04375	0.5
123.08066	0.3
125.02344	0.2
125.06026	0.3
125.09727	0.4
137.02318	0.2
139.02747	0.4
139.03880	0.6
143.96596	0.2
149.02321	1.8
149.05009	0.3
149.09633	0.3
152.06262	0.3
165.01807	1.5
167.03387	100.0
167.10643	0.8
167.14285	0.5
168.03726	2.5
175.30215	0.3
183.02873	0.7
185.04445	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0337
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
50.79893	0.1
53.03945	1.0
53.04168	0.2
54.19049	0.2
54.40704	0.1
55.01864	2.4
55.05489	0.5
55.05756	0.2
55.85581	0.1
56.40134	0.1
57.03431	0.2
65.03929	1.0
66.81490	0.2
67.01856	1.0
67.05484	0.3
68.02631	0.5
68.99783	9.9
69.03431	1.1
69.07057	0.3
69.71226	1.3
71.01328	0.6
71.04967	0.3
78.01061	0.3
79.01830	0.5
79.05482	0.4
81.03025	0.2
81.03416	2.3
81.07039	0.6
83.04983	1.3
83.08595	0.2
84.96004	0.4
91.05486	0.3
93.03384	0.6
93.07031	0.6
95.04955	0.2
95.08583	0.2
96.02096	0.6
97.02890	1.7
97.06509	0.3
98.21461	0.3
99.04448	1.4
107.01319	0.2
107.04931	0.2
107.08558	0.6
108.02057	0.2
109.02887	0.4
109.06493	0.2
111.00777	0.5
111.04433	3.0
111.08049	0.2
113.02366	0.2
115.03963	0.2
121.01671	0.5
121.02850	0.6
121.10144	0.4
124.01563	16.3
125.02328	0.3
127.03906	0.8
131.03349	0.2
137.02315	1.6
139.02826	0.3
139.03889	1.4
139.07599	0.2
141.79622	0.2
143.96739	0.2
144.03238	0.4
149.02356	0.4
149.04854	0.2
152.01035	6.4
153.01314	0.2
167.03384	100.0
167.10626	0.5
167.14259	0.3
168.03732	2.9
170.02090	15.4
171.02478	0.4
185.04382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.03936	0.3
56.96552	0.2
65.92606	0.3
66.74544	0.1
70.83649	0.2
70.83988	0.2
77.03926	0.2
79.05491	1.4
80.94957	0.3
91.05475	1.0
93.06442	0.2
93.07040	2.6
95.04969	0.3
103.05459	12.9
104.05799	0.5
107.04950	2.4
109.07606	0.2
113.76378	0.1
120.08094	100.0
121.06507	0.1
121.07629	0.3
121.08429	3.0
121.97554	0.2
124.93903	0.1
131.04919	2.1
131.89713	0.1
142.94936	0.3
142.96719	0.2
149.05975	0.6
151.51968	0.1
160.96001	0.3
166.08571	1.0
166.09683	0.1
167.03462	0.1
167.06941	0.1
172.85304	0.1
183.97673	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	166.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01872	5.0
56.05029	25.0
56.96559	100.0
57.03425	17.5
60.04530	4.5
61.02932	8.0
65.00638	6.1
65.03933	11.3
65.92616	17.4
67.05492	16.8
68.90255	3.8
69.03429	14.5
70.06593	5.8
71.69523	4.7
71.95255	9.3
73.02917	5.1
74.02427	15.2
74.06107	4.9
74.88206	3.9
76.51576	5.2
79.05483	9.9
80.05009	7.0
80.94952	40.2
81.03400	7.1
81.07040	7.5
81.95075	4.4
82.06537	4.6
83.04973	11.7
83.93084	5.1
83.93640	3.7
84.08144	7.4
85.02895	12.2
91.05482	11.8
92.05782	9.3
93.07018	13.6
94.06555	6.9
95.04964	17.7
95.06071	5.0
95.45836	3.8
96.04491	7.0
96.05296	14.8
97.02859	8.3
98.97576	6.9
100.02514	6.3
101.00874	7.1
102.00985	15.4
102.05539	15.1
103.03934	8.9
103.05496	5.2
105.03722	5.2
106.06548	5.0
107.04965	4.4
107.08568	7.1
108.04450	5.3
111.04436	14.3
115.02423	26.6
116.98625	10.0
117.04005	15.5
118.03498	7.3
119.01909	66.6
119.04829	4.6
120.01994	86.3
120.04491	5.1
120.05281	15.8
120.08092	52.7
120.08903	6.7
121.01671	34.4
121.02494	4.0
121.02882	4.6
121.06535	10.1
121.97575	24.8
123.04443	11.4
124.03944	4.7
124.04737	19.8
124.93897	10.5
125.02399	5.7
126.48639	3.6
131.01907	17.6
133.03465	25.9
134.00497	3.9
134.99704	6.1
135.05043	15.3
137.02957	16.4
138.03046	49.3
138.04070	5.4
138.04456	4.7
138.05420	29.3
138.06381	4.2
138.10208	4.4
139.02695	17.3
139.03787	8.7
142.03494	12.2
142.94914	12.7
142.96664	27.4
143.00131	9.4
143.01888	12.9
143.03604	66.4
144.03241	22.1
145.03476	4.9
147.05025	4.0
148.03783	6.7
148.04767	14.9
148.07658	4.5
149.02390	12.8
159.05128	5.0
160.04587	4.0
160.96014	32.3
160.97572	12.0
161.01326	22.9
161.02948	42.7
161.04657	29.7
161.06403	3.7
161.97223	6.7
162.04332	7.3
166.04924	40.3
166.08649	28.1
166.09804	7.0
167.03404	14.8
167.07082	11.3
172.10748	4.2
179.02393	4.8
179.04007	9.1
183.97563	9.0
184.04539	9.8
187.01411	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	166.026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.5
56.05029	28.2
56.96556	58.0
57.03416	5.9
60.04529	3.7
65.03918	7.4
65.92635	15.1
65.92909	3.1
67.05487	11.9
67.60614	3.0
69.03406	5.3
70.06566	7.0
70.13231	3.0
70.13549	17.2
71.04958	2.8
71.95272	4.1
74.02435	31.0
74.06059	8.6
74.27567	2.9
75.02694	3.4
79.05473	11.3
80.94961	28.6
81.03394	3.7
81.07027	4.2
82.06570	5.7
83.00763	6.0
83.04967	7.1
83.93074	3.5
83.93653	3.9
84.04499	3.8
85.02888	7.6
91.05470	7.1
92.01278	5.5
93.03428	3.9
93.07018	12.7
95.04967	13.3
95.06083	10.2
95.08604	4.0
96.04494	9.5
96.05321	7.3
97.02864	4.8
98.21395	3.9
98.97543	4.5
99.00757	4.0
101.00858	7.0
102.00976	4.9
102.02252	3.6
102.05537	31.2
103.02345	3.8
103.05450	9.9
105.03725	9.3
107.04953	8.5
108.04462	5.6
109.02817	3.1
110.05979	6.2
111.04378	5.6
113.02361	4.2
115.02399	7.4
116.98576	4.4
117.03996	3.8
119.01911	28.0
120.01984	45.9
120.03279	3.0
120.04461	5.7
120.05280	14.7
120.08091	100.0
121.01649	13.1
121.02843	4.3
121.06500	7.1
121.97546	20.2
122.06015	5.8
124.04774	9.1
124.93874	12.3
125.02415	5.7
125.05976	3.7
131.01892	10.3
133.03468	13.0
134.99561	3.4
136.07576	3.1
137.02943	10.7
138.03011	23.2
138.05412	15.5
138.09143	3.5
138.10114	4.9
139.02731	8.1
139.03900	8.6
142.03439	5.7
142.94901	9.2
142.96675	11.2
143.00163	8.0
143.01895	4.2
143.03612	37.0
143.96140	3.7
144.03241	6.8
145.03421	3.9
148.04817	15.7
148.07475	5.7
149.02391	9.6
149.05977	4.6
160.96001	22.4
160.97519	7.9
161.01219	26.4
161.02884	17.6
161.04681	12.1
161.97217	8.3
162.04352	4.5
165.96469	3.8
166.04852	35.4
166.07147	6.9
166.08452	21.7
166.09843	15.4
166.12231	6.0
167.03366	14.8
167.07022	14.1
167.10704	3.2
170.84747	3.4
179.02477	3.5
179.03955	4.1
183.97668	6.4
184.04536	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1637
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
51.02365	0.8
53.03939	1.5
55.01855	1.0
55.05507	7.4
57.07071	7.1
63.53162	0.6
63.73662	0.6
65.03944	1.5
67.05499	39.7
68.05027	0.9
68.05834	1.1
69.03416	1.8
69.07064	8.2
70.06593	1.3
70.51548	2.5
71.08630	3.8
76.78362	0.6
79.05482	6.8
80.04996	1.1
81.03419	1.7
81.04546	1.0
81.07050	36.5
82.06577	0.7
82.07366	0.8
83.06100	1.4
83.08602	3.4
85.07659	1.1
85.10156	2.0
91.05476	10.5
93.07030	4.4
94.04215	0.8
95.04959	6.1
95.06093	1.3
95.08599	61.9
96.00545	0.6
96.04478	0.7
96.08926	1.8
97.02885	0.7
97.07635	1.2
97.10175	0.7
98.21521	0.7
100.93405	0.6
101.00864	1.3
101.94115	0.6
103.05457	1.5
105.03423	0.9
105.07014	3.8
107.06055	1.9
107.08568	3.9
109.06496	3.0
109.10146	100.0
110.10493	2.3
111.09209	0.7
119.01923	7.7
119.04939	12.4
119.08590	4.5
120.05295	0.6
120.08118	1.7
121.06506	1.1
121.10146	2.5
122.03641	0.9
122.07191	1.4
123.04445	3.2
123.06693	0.7
123.08077	4.0
123.11698	27.3
124.08703	1.7
125.02354	0.7
133.02834	2.2
135.08104	0.7
137.03006	4.1
137.05959	5.5
137.09636	3.6
137.13208	1.2
138.03018	0.7
138.05472	1.5
138.06528	0.6
142.03476	5.0
142.96695	2.4
147.04388	18.1
147.07982	2.7
147.11649	1.8
148.04759	1.2
148.08649	2.2
149.09607	1.0
150.10413	3.4
160.04486	1.8
165.01814	2.0
165.05507	8.3
165.07715	2.3
165.09108	3.9
165.11389	2.5
165.12730	26.2
165.16385	13.1
166.04892	4.0
166.08543	1.2
166.13116	1.2
166.16809	0.7
167.69821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03940	2.2
54.03463	0.9
54.19648	0.7
55.01861	2.2
55.05501	6.4
56.05023	2.4
57.03438	4.8
57.07065	5.2
58.06583	1.6
58.20753	0.7
59.04985	4.5
59.06109	0.8
65.03933	4.2
67.05498	39.7
68.05021	3.6
69.03101	1.0
69.03423	10.2
69.04507	1.1
69.07056	9.6
70.06591	3.7
71.04972	1.1
71.69848	0.9
71.70246	0.7
77.03880	1.0
79.05486	16.5
80.04995	2.1
81.03389	3.4
81.04536	3.8
81.07047	37.2
82.06557	3.0
83.04983	4.2
83.06092	5.6
83.08623	3.9
83.93030	0.9
85.06489	0.9
85.07655	1.6
91.05470	32.5
92.05787	1.5
93.07030	11.7
94.04177	1.3
95.01309	0.7
95.04959	57.1
95.06051	3.4
95.08597	32.5
95.09218	1.3
96.05282	1.3
96.08125	0.8
97.06516	1.0
97.07641	2.8
98.07166	2.0
101.00846	1.2
103.05469	2.5
105.03331	0.8
105.04508	0.8
105.07018	24.6
107.04937	6.8
107.06077	3.7
107.08585	44.3
108.04528	0.8
108.05695	2.2
108.08916	2.4
109.06509	32.6
109.07662	2.6
109.09374	1.1
109.10134	8.4
110.07240	3.3
110.10406	1.1
111.09184	1.5
117.07011	4.4
119.01908	12.9
119.04934	15.7
119.08569	46.4
120.02013	1.2
120.05531	0.9
120.08076	2.3
120.08850	1.3
121.06488	2.5
121.07625	2.9
121.10128	11.6
122.03616	1.6
122.07181	5.0
123.04402	3.1
123.08060	40.1
123.11694	28.9
124.05094	1.1
124.07704	0.7
124.08683	5.0
125.07054	0.8
125.09489	3.9
129.07021	2.8
132.05717	3.5
132.09262	0.8
133.02829	1.6
133.06462	1.8
135.07950	0.9
135.11638	1.0
136.08736	1.9
137.03009	5.3
137.05968	8.2
137.09589	9.8
137.12332	1.5
137.13226	5.4
138.05460	1.9
138.06500	1.3
138.10236	2.5
141.09117	0.8
142.03502	7.6
142.96680	2.2
145.53394	0.8
147.04401	30.8
147.08028	21.4
147.10591	1.3
147.11673	11.5
148.04770	2.0
148.08649	6.5
150.03073	1.1
150.10361	1.2
150.25163	0.7
160.04546	3.1
165.01799	2.3
165.05493	13.6
165.07671	2.1
165.09096	12.5
165.11418	7.2
165.12730	100.0
166.04971	2.9
166.08534	1.4
166.09772	1.5
166.13118	4.6
169.04984	0.8
178.37372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03939	1.8
55.01884	4.0
55.05505	7.5
56.96550	2.5
57.03428	6.6
57.07094	0.8
65.03935	2.0
67.05496	41.9
68.05830	1.1
69.03424	3.8
69.07062	8.2
70.37637	3.1
71.04968	2.9
74.20696	0.8
79.05482	37.1
80.05821	1.5
81.03405	1.5
81.07045	76.4
82.07376	2.4
83.04967	9.9
83.08611	0.9
83.93008	1.1
85.06519	5.7
91.05468	48.7
92.05813	1.3
93.07032	40.0
94.07365	2.0
95.04957	14.3
95.08591	25.2
97.06510	11.1
99.08095	1.8
101.00855	1.3
101.94102	0.7
103.05415	1.0
105.07016	70.7
106.07359	2.4
107.04974	0.8
107.08577	23.8
108.08868	0.8
109.06504	16.6
109.10126	6.2
111.08107	0.9
116.97221	0.8
117.06995	2.4
119.01912	8.3
119.04935	11.2
119.08565	56.5
120.05222	1.0
120.08105	1.4
120.08915	2.7
121.06533	0.8
121.10126	62.3
122.07214	1.1
122.10474	1.9
123.04391	3.4
123.08064	9.7
123.11684	8.7
125.36818	0.7
127.07513	1.0
133.02707	0.9
134.04976	0.9
137.02979	3.9
137.05980	2.0
137.09557	6.1
137.13257	2.5
138.05415	0.6
142.03444	5.0
142.96652	3.1
143.05341	1.5
145.10091	1.2
147.04382	22.3
147.11667	100.0
148.04776	1.2
148.11983	5.2
160.04567	1.6
165.01831	1.7
165.04260	1.5
165.05614	3.4
165.07707	1.7
165.09084	4.7
165.12733	89.1
166.04944	1.2
166.13071	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	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02389	0.2
51.92617	0.3
53.03941	0.2
56.05025	0.4
59.21162	0.3
65.03931	1.3
66.55251	0.3
67.05498	0.3
68.05025	0.4
69.35678	0.9
69.36110	1.8
70.06599	0.6
72.04521	0.2
77.00621	1.0
80.04996	0.3
81.04539	0.2
83.06101	0.4
91.05469	28.2
92.05800	0.4
93.07045	0.3
95.04950	2.9
98.07177	0.3
103.05434	0.3
107.06026	0.3
109.07645	0.5
119.01895	0.7
119.04929	51.8
120.05228	1.4
121.07589	0.4
122.07095	0.3
123.04419	4.0
124.08689	0.5
125.09478	0.7
137.03036	0.4
137.06004	0.6
142.03476	0.6
147.04390	100.0
148.04726	3.1
148.08698	0.5
148.34106	0.3
165.01750	0.4
165.05519	1.7
165.09033	0.3
165.11336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03942	1.1
54.43463	0.4
55.01852	0.7
55.05503	3.8
56.96557	0.5
57.03418	1.0
65.03923	1.0
67.05502	22.8
69.03405	1.3
69.07061	1.8
70.89109	0.9
70.89482	0.8
71.04981	0.4
78.34204	0.4
79.05487	5.1
81.03408	1.6
81.04539	0.4
81.07051	14.2
83.04976	5.0
83.08611	0.4
83.29224	0.4
83.58662	0.4
83.93024	1.0
91.05477	14.7
92.05810	0.5
93.07040	4.1
94.07833	0.6
95.04962	7.6
95.08600	5.5
97.06499	0.9
97.38768	0.3
101.00877	2.1
103.05457	0.9
105.03365	0.4
105.04484	0.4
105.07026	5.2
105.11845	0.4
107.04948	3.2
107.08569	3.4
109.02869	0.6
109.06505	4.6
109.10149	20.2
110.06025	0.5
110.10515	0.5
111.34538	0.4
117.07002	1.6
119.01101	0.7
119.01913	10.5
119.04934	9.2
119.08572	19.8
119.95144	0.6
120.02015	0.7
120.05286	0.3
120.08083	0.8
120.08893	0.9
121.06474	1.7
121.10131	3.1
122.03640	0.9
122.07283	14.1
123.04417	1.3
123.08097	2.8
123.11699	0.8
124.02444	0.4
124.05103	0.5
133.02818	0.7
135.08034	0.7
137.02991	5.1
137.05978	3.5
137.09604	48.8
138.03001	0.5
138.09952	1.8
142.03505	8.3
142.96701	3.2
143.03712	0.4
147.04401	17.0
147.08000	1.8
147.11682	4.6
148.04726	0.9
148.12086	0.5
150.03183	0.4
151.45688	0.4
160.04604	2.9
165.01819	1.1
165.05556	5.8
165.09100	100.0
165.12744	8.1
165.98309	0.8
166.04979	1.4
166.09573	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	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02386	0.2
53.03933	0.5
54.74033	0.2
55.01855	0.3
55.05509	0.3
56.96551	0.7
65.03925	1.6
67.01862	1.2
67.05496	1.8
68.99750	0.2
69.03433	0.4
70.02945	0.5
70.03365	0.6
70.06580	0.4
74.08885	0.2
74.99678	0.2
79.05489	1.9
81.03411	0.6
81.07046	3.1
83.04968	0.4
83.06121	0.2
83.93034	0.3
88.21825	0.2
89.47179	0.2
91.05472	29.1
92.05802	0.7
93.07030	0.8
95.04353	0.3
95.04957	4.6
95.06080	0.2
95.08601	0.9
101.00871	0.4
103.05432	0.5
103.16089	0.3
105.03394	0.2
105.07018	1.1
107.04938	0.5
107.08584	0.6
109.02850	0.3
109.06523	2.2
109.07629	0.2
109.10154	1.3
119.01926	4.8
119.04931	52.5
119.08555	2.0
120.02010	0.3
120.05221	1.6
120.08116	0.3
121.06506	0.3
121.10126	0.2
122.03643	0.3
122.07166	0.8
123.04422	4.8
123.06705	0.3
123.08035	1.0
124.05108	0.3
124.08688	0.5
133.02864	0.9
137.02991	2.2
137.05972	2.0
137.09586	1.5
138.02959	0.2
138.05492	0.3
142.03491	3.1
142.96706	1.2
147.04395	100.0
147.11678	0.6
148.04736	3.3
148.08636	0.6
160.04523	1.4
165.01831	0.7
165.05432	4.3
165.06979	2.9
165.09018	2.3
165.11404	0.4
165.12750	1.4
166.04968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.02383	0.6
53.03936	2.0
54.54902	0.4
55.01878	0.6
55.05516	0.5
56.05017	0.7
56.96561	9.1
57.03425	1.0
60.04512	0.4
60.95851	0.4
61.02916	0.4
61.92473	0.3
63.92922	0.7
65.03934	1.2
65.92622	3.4
67.05507	1.1
68.05043	0.4
69.03421	1.1
70.06613	0.4
70.51804	0.3
71.04987	0.6
71.69982	0.5
71.95261	0.6
74.02419	0.5
74.06073	0.4
75.68076	0.3
77.03935	0.6
78.95267	1.3
79.05461	0.6
79.95558	0.4
80.94955	7.7
81.03417	0.8
81.07040	1.4
82.01427	0.4
82.99841	1.1
83.04951	0.5
83.06081	0.7
83.93660	1.0
84.96021	0.7
85.02892	0.9
90.01534	0.4
91.05473	17.0
92.05818	0.3
93.07037	2.0
95.04958	67.1
96.05298	1.0
97.99157	0.6
98.95978	0.6
98.97591	0.9
100.02465	1.3
101.00869	13.3
102.00927	0.4
103.05443	4.8
105.04504	1.5
105.06997	0.5
107.04943	0.6
107.95971	0.4
109.06508	4.1
109.10162	0.5
109.28104	0.3
110.97520	0.5
111.04397	0.3
115.02456	0.7
116.00250	0.3
116.98579	0.4
118.03499	0.7
119.01910	76.7
119.04926	53.4
120.01990	3.4
120.05313	1.0
121.06496	2.6
121.97557	5.5
122.94186	0.3
123.04416	100.0
124.02428	3.8
124.04739	2.7
124.93890	3.8
127.03916	0.6
133.03482	0.5
137.02945	26.9
137.05931	2.9
137.09569	0.5
138.03026	1.1
142.03485	52.4
142.94911	3.6
142.96509	0.8
143.00145	1.0
143.01923	0.8
143.03603	2.5
146.99667	0.5
147.04388	20.4
148.04817	0.8
148.06169	0.9
148.08717	0.5
155.00162	0.4
158.96274	0.5
159.96648	0.4
160.04541	17.5
160.95993	6.0
160.97385	0.4
161.01183	1.4
161.02927	1.4
161.04660	0.9
165.05386	4.5
165.07661	0.3
165.09068	0.7
165.96535	1.1
166.07259	1.2
166.08568	0.7
167.91833	0.3
173.01202	0.4
183.06154	0.4
183.97575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03946	0.5
55.01860	0.3
55.05504	0.5
65.03936	1.5
67.05498	2.1
69.03407	0.5
69.07064	0.3
69.51464	1.0
69.51887	1.4
79.05475	1.5
79.17879	0.2
81.03419	0.4
81.07056	3.1
83.04963	0.5
83.71792	0.2
83.93046	0.3
86.86401	0.2
91.05474	27.1
92.05810	0.6
93.07031	1.3
95.04963	3.5
95.06171	0.2
95.08599	1.7
101.00874	0.9
105.07022	2.4
107.08588	1.0
109.06514	1.9
109.10150	0.9
111.44065	0.3
117.15624	0.3
119.01927	5.7
119.04934	51.6
119.08553	2.8
120.05235	1.4
120.08127	0.3
121.10126	1.0
122.07201	0.5
123.04393	1.9
123.06632	0.3
123.08073	0.9
123.11687	0.4
133.02792	0.6
134.06047	0.2
134.62675	0.2
135.03180	0.2
137.02951	2.4
137.05943	1.2
137.09607	1.0
138.05476	0.3
142.03494	3.5
142.96721	1.2
143.03583	0.3
147.04396	100.0
147.11670	2.6
148.04736	3.1
160.04506	1.6
165.01816	0.6
165.05539	3.8
165.07693	0.9
165.09113	2.0
165.12726	3.1
166.04909	0.5
169.04121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46700	0.2
53.03934	0.4
54.03478	0.2
55.01862	0.6
55.05493	0.6
56.05029	1.1
58.06588	0.4
59.06109	0.4
65.03925	1.7
65.92649	0.2
67.01859	0.3
67.05490	1.6
68.05030	1.4
68.99759	0.2
69.03412	0.4
69.04531	0.3
69.72149	0.4
69.72563	1.1
69.98634	0.2
70.06589	1.3
71.04976	0.3
77.00612	0.7
77.03926	0.2
79.05485	1.5
80.04998	0.6
81.03410	0.5
81.04529	1.1
81.05750	0.3
81.07035	1.7
82.05313	0.2
82.06569	0.8
83.04923	0.2
83.06101	2.6
83.93027	0.2
85.07656	1.1
91.05470	28.1
92.05792	0.8
93.07039	0.7
94.04186	0.2
94.06593	0.2
95.04962	3.7
95.06071	0.8
95.08587	0.8
97.07655	1.0
98.07161	1.0
101.00877	0.6
103.05440	0.2
105.03371	0.3
105.04514	0.3
105.07009	1.4
107.04951	0.4
107.06085	1.0
107.08573	0.3
108.04478	0.2
108.05629	0.2
108.06863	0.3
109.02867	0.3
109.06498	1.5
109.07637	1.4
109.08267	0.2
109.10121	1.2
110.07136	0.5
111.09166	0.4
117.07037	0.3
119.01920	4.3
119.04929	53.0
119.08570	2.5
120.01945	0.2
120.05234	1.3
120.08073	0.4
121.07644	0.9
121.10073	0.4
122.03667	0.3
122.07155	1.9
123.04419	4.9
123.08019	1.3
123.11730	0.4
124.08698	1.9
125.05892	0.2
125.09492	1.3
133.02841	0.6
133.06447	0.4
136.08720	0.2
137.03030	1.8
137.05957	2.5
137.09589	1.6
138.05600	0.2
138.06606	0.2
138.09201	0.3
138.10225	0.9
142.03490	2.7
142.96680	0.5
147.04391	100.0
148.04742	3.4
148.08661	2.1
149.07268	0.2
160.04536	1.1
165.01801	0.9
165.04102	0.3
165.05469	4.6
165.07668	0.6
165.09065	2.5
165.11328	3.0
165.12683	0.4
165.13889	0.2
166.05000	0.5
166.08568	0.5
166.09807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.3
65.03934	1.4
67.05502	0.2
69.76303	0.2
70.29685	0.8
79.05504	0.3
81.07053	0.6
83.62451	0.2
91.05474	27.2
92.05803	0.6
92.46012	0.2
93.07035	0.4
95.04958	2.4
95.08591	0.3
97.07761	0.2
101.00860	0.5
105.07033	0.4
118.03425	0.2
119.01958	2.5
119.04932	53.5
119.08563	0.6
120.05237	1.5
123.04433	1.5
137.02969	1.2
137.05963	0.7
142.03496	1.5
142.96667	0.4
147.04396	100.0
148.04738	3.1
149.22455	0.2
160.04552	0.5
165.05511	2.2
165.09071	0.6
165.12798	0.5
166.08562	0.3
168.04155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03927	0.3
53.27776	0.2
65.03932	1.6
67.05497	0.3
70.97128	0.5
79.05489	0.6
79.48600	0.2
81.03380	0.2
81.07042	0.8
83.01334	0.2
91.05472	26.7
92.05818	0.6
93.07075	0.2
95.04971	2.2
95.08586	0.3
101.00896	0.3
103.05515	0.2
105.07024	0.6
107.08559	0.2
109.06524	0.5
109.10164	0.2
119.01966	2.1
119.04932	53.5
119.08591	0.5
120.05235	1.3
121.10133	0.2
123.04430	1.8
129.52098	0.2
137.02951	0.5
137.05943	0.4
139.40701	0.2
142.03503	1.4
142.96669	0.3
147.04395	100.0
148.04747	3.0
152.31433	0.2
160.04521	0.6
165.01775	0.3
165.05519	1.6
165.06735	0.3
165.09077	0.4
165.11484	0.2
165.12756	0.9
174.77586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03939	0.3
55.01859	0.2
55.05501	0.2
65.03930	1.3
67.05499	0.9
68.75721	0.2
70.05922	1.0
79.05477	0.5
81.03433	0.3
81.07054	0.9
91.05471	26.5
92.05808	0.6
93.07047	0.5
93.81654	0.2
95.04962	2.9
95.08594	0.5
97.06493	0.2
98.20678	0.3
101.00869	0.4
103.05452	0.3
105.07031	0.3
107.08556	0.2
109.06505	0.4
109.10139	0.5
119.01963	2.3
119.04931	52.4
119.08523	0.9
120.05235	1.4
121.10114	0.2
123.04406	1.7
123.08096	0.3
133.02817	0.3
137.02936	0.8
137.05972	0.7
137.09596	0.8
142.03494	2.0
142.96684	0.6
147.04395	100.0
147.11705	0.5
148.04739	3.5
148.12401	0.2
160.04517	0.4
165.01869	0.4
165.05537	2.0
165.07701	0.3
165.09053	1.9
165.12680	1.3
166.08717	0.2
179.58836	0.2
184.63254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03934	0.5
55.05488	0.3
65.03928	1.7
66.96911	0.2
67.05500	1.5
69.07042	0.3
69.45296	2.5
79.05482	0.8
81.03452	0.3
81.07043	2.0
83.04971	0.5
91.05472	27.1
92.05806	0.5
93.07033	0.6
95.04962	3.1
95.08595	1.1
97.02849	0.3
101.00845	0.5
103.05498	0.4
105.07017	0.8
107.08553	0.5
109.06509	1.0
109.10161	1.0
119.01926	5.1
119.04932	52.2
119.08551	1.6
120.05262	1.1
120.08080	0.3
120.20363	0.3
121.10129	0.4
122.07225	0.3
123.04429	2.0
123.08071	0.7
123.11726	0.3
133.02782	0.6
137.02960	2.2
137.05954	1.5
137.09602	0.9
142.03496	4.0
142.96687	1.1
147.04395	100.0
147.11650	0.6
148.04726	3.3
148.08653	0.3
160.04547	1.2
165.01833	0.6
165.04315	0.3
165.05531	3.8
165.06841	0.5
165.07802	0.4
165.08992	1.4
165.12712	1.5
166.04922	0.5
166.08588	0.3
175.05505	0.2
181.07930	0.2
181.15541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.73988	0.2
52.37973	0.2
53.02510	0.3
53.03942	0.5
54.03448	0.3
54.72074	0.2
55.01876	0.2
56.05030	0.8
58.06598	0.4
59.06123	0.3
65.03941	1.5
67.05510	1.2
68.05022	1.1
69.03452	0.3
70.06583	1.1
71.06140	0.2
73.91378	0.2
79.05489	0.9
80.05022	0.6
81.03419	0.4
81.04539	0.6
81.07042	1.1
82.06564	0.9
83.04997	0.4
83.06104	1.7
83.93056	0.3
85.07661	0.8
91.05476	27.7
92.05804	0.7
93.07045	0.4
94.06564	0.5
94.77980	0.3
95.01366	0.3
95.04968	3.8
95.06103	0.8
95.08595	0.7
97.07657	1.1
97.08242	0.2
98.07170	0.8
101.00882	0.9
101.94126	0.2
103.05453	0.5
105.03376	0.3
105.07032	0.8
107.04963	0.3
107.06078	0.9
108.06813	0.3
109.02875	0.4
109.06503	1.1
109.07642	1.0
109.10169	0.8
110.07189	0.5
111.04480	0.2
111.05411	0.3
111.09212	0.3
119.01930	6.1
119.04938	51.9
119.08550	1.7
120.05243	1.4
120.08098	0.4
121.06501	0.4
121.07632	1.0
122.03621	0.6
122.07169	0.9
123.04411	3.7
123.08013	0.5
124.08735	1.3
125.09490	0.7
133.02832	0.7
137.02252	0.2
137.02979	2.1
137.05966	2.6
137.09602	1.2
137.13249	0.2
138.06589	0.3
138.10262	0.7
142.03500	3.7
142.96680	0.8
147.04402	100.0
148.04739	3.7
148.08640	1.1
160.04556	1.6
165.01833	0.5
165.04070	0.5
165.05476	4.4
165.07765	0.4
165.09106	1.4
165.11391	2.1
165.12704	0.5
166.04968	0.5
166.08572	0.4
166.09801	0.4
173.03639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01853	0.4
55.05491	0.3
65.03935	2.0
67.01858	0.7
67.05497	4.7
69.03416	0.4
69.07066	0.6
77.03983	0.2
79.05489	2.6
81.03427	0.9
81.07051	5.9
83.04992	0.5
83.93055	0.3
91.05475	29.3
92.05800	0.7
93.07034	1.3
95.04339	0.3
95.04962	6.9
95.08604	2.7
97.06535	0.3
100.02501	0.3
101.00892	0.9
101.02542	0.4
102.02272	0.3
103.05453	0.4
105.07019	2.4
107.05003	0.3
107.08595	1.0
107.25777	0.2
109.06522	2.1
109.10138	1.5
119.01921	10.6
119.04933	51.0
119.08571	2.8
119.95142	0.3
120.02045	0.4
120.05230	1.3
120.08093	0.5
121.10143	1.6
122.03629	0.4
123.04417	3.9
123.05271	0.3
123.08080	0.8
123.11710	0.4
124.02414	0.3
133.02838	0.4
137.02975	4.9
137.05969	1.7
137.09589	0.4
138.05467	0.3
142.03491	7.4
142.16777	0.2
142.96660	1.6
147.04396	100.0
147.11661	2.6
148.04771	2.9
160.04568	2.7
165.01839	1.1
165.05508	5.2
165.06844	0.5
165.07600	0.4
165.09003	1.5
165.12737	5.3
165.16466	0.3
166.05002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0543
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03930	0.3
55.01861	0.2
55.05491	0.3
64.19151	0.2
65.03926	1.7
67.05501	1.6
69.03411	0.5
69.07072	0.2
71.72196	0.2
71.72633	0.2
79.05497	1.0
81.03405	0.2
81.07043	2.1
83.04979	0.3
90.37589	0.2
91.05473	25.1
92.05813	0.6
93.07033	0.7
95.04964	3.7
95.08604	0.9
97.06509	0.3
101.00874	0.7
101.02611	0.2
101.94063	0.2
103.05463	0.3
105.04527	0.2
105.07008	1.2
107.04964	0.2
107.08587	0.5
109.06485	0.8
109.10149	0.6
119.01924	7.5
119.04935	54.2
119.08556	1.5
120.02060	0.3
120.05260	1.3
120.08119	0.3
121.06441	0.3
121.10145	0.8
122.03650	0.2
123.04427	2.8
123.08071	0.5
123.11652	0.2
124.02492	0.2
133.02834	0.3
137.02962	3.5
137.05969	1.1
137.09618	0.4
142.03490	4.8
142.96687	1.3
147.04398	100.0
147.11652	1.6
148.04747	3.1
160.04547	2.0
165.01801	0.5
165.05507	3.0
165.06828	0.3
165.09021	0.9
165.12744	2.3
165.98236	0.3
166.04967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48360	0.3
52.48650	0.3
55.01865	0.3
56.05032	2.1
56.96555	2.9
57.03428	0.6
57.05357	0.9
58.99861	0.5
61.00949	0.3
65.92624	0.7
67.05513	0.3
69.03428	0.5
69.94493	1.6
70.92530	0.3
70.99828	0.4
74.02435	1.6
74.06071	0.7
75.02736	0.3
77.00885	0.9
79.61039	0.3
80.94961	0.8
81.03420	0.5
81.07040	0.7
82.99841	1.4
83.04968	0.5
85.02884	0.7
89.00889	0.5
91.05465	2.3
95.04956	7.2
97.02865	0.7
98.97632	0.3
100.02477	1.4
101.00864	19.6
102.00941	0.7
102.05531	1.5
103.05871	0.9
109.06541	0.4
111.04454	0.3
115.02448	0.6
118.03479	0.8
119.01907	100.0
119.04903	5.0
120.01984	4.2
121.97560	1.0
123.04414	9.8
124.02430	4.1
124.93907	0.5
124.99108	0.3
131.01868	1.0
133.03461	1.0
137.02945	35.1
138.03099	1.1
141.05107	0.4
142.03485	62.6
142.94997	0.4
143.00067	0.5
143.03601	2.9
145.03529	0.4
147.04379	1.9
160.04539	19.0
160.95988	0.7
160.97388	0.3
161.01186	1.1
161.02975	1.3
161.04681	1.2
165.05106	3.2
173.02914	0.4
183.06168	0.4
184.04674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80012	0.2
66.58158	0.2
70.30712	0.6
70.31126	0.8
82.01444	0.3
82.33872	0.3
82.99836	1.2
100.02476	1.2
101.00871	27.6
102.00974	1.2
107.15372	0.3
118.03516	0.4
119.01909	100.0
120.01994	3.9
121.02379	0.5
124.02415	3.6
132.31946	0.3
137.02943	25.2
138.03073	1.2
142.03485	50.5
143.03616	2.4
144.69424	0.3
154.01106	0.3
160.04544	14.6
161.04707	0.9
165.05058	1.8
183.06184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01592	0.8
50.03390	0.5
51.02372	0.9
51.72629	0.4
53.03941	7.5
54.97061	0.4
55.01863	0.7
55.05507	7.3
56.67113	0.4
57.07077	3.1
65.02937	0.4
65.03931	0.9
67.01873	0.6
67.05189	0.8
67.05501	6.4
69.03424	0.4
69.07066	18.2
70.07413	0.5
71.08629	0.9
71.70398	0.7
77.03928	1.8
79.05487	29.0
79.62473	0.4
80.05821	0.5
81.03405	1.2
81.07052	41.2
82.07392	0.8
83.08613	7.9
89.03908	0.9
91.05476	13.7
92.02617	3.8
93.07041	40.5
94.07362	1.2
95.04346	0.7
95.04962	18.6
95.08601	24.7
96.05331	0.6
100.02466	1.0
103.05463	4.5
105.03391	5.9
105.04490	4.2
105.07018	6.4
106.07301	0.5
107.04949	7.5
107.08586	100.0
108.08882	2.9
109.06527	2.6
109.10147	2.0
115.05417	0.7
117.03374	0.7
117.06984	2.6
118.03543	0.8
119.04939	1.1
119.06036	1.0
119.08564	3.6
121.06518	0.8
121.10137	28.9
122.07005	0.4
122.10491	1.3
123.08002	0.5
128.79572	0.5
130.06531	1.5
131.04918	4.5
132.08072	0.7
133.02846	28.0
133.10139	0.7
134.03171	1.9
135.04413	31.7
135.08015	1.6
135.11691	12.6
136.04761	2.3
136.07530	1.0
136.11960	0.5
138.03102	1.2
140.59747	0.5
144.88608	0.4
145.02921	0.7
145.06441	1.2
145.10114	1.0
147.08040	0.5
147.30916	0.4
163.03897	95.2
163.07524	3.3
163.11168	3.5
163.14810	54.9
164.04312	6.9
164.07016	3.4
164.10631	0.4
164.15161	3.1
175.38614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01866	0.6
55.05501	0.5
56.05032	71.1
56.96561	6.9
57.03431	1.5
57.05359	0.8
61.02920	1.4
63.02708	1.9
63.92938	4.5
65.03915	0.7
65.62411	0.5
67.05493	1.0
69.03436	1.3
70.89092	0.5
72.04527	0.7
73.02902	0.5
74.02436	24.5
74.06074	28.7
75.06407	0.5
76.07635	0.5
77.87137	0.5
78.95272	7.9
79.05483	1.8
79.14471	0.6
81.03417	1.0
81.07062	1.3
81.37495	0.5
81.93948	0.8
83.04987	1.2
84.04505	8.2
85.02903	4.6
86.03256	0.7
91.05477	5.3
92.05801	0.6
93.07015	0.8
95.04958	7.2
96.96296	1.3
98.97572	1.3
100.02483	4.1
100.03980	2.0
100.07604	1.4
101.00874	3.8
102.05534	100.0
103.05860	2.1
105.07014	1.0
105.96337	0.6
107.04951	0.5
109.06520	1.1
109.10181	0.6
111.00210	0.7
111.02068	0.6
118.03504	3.1
118.04992	0.7
118.06522	0.8
118.07308	0.6
118.08656	2.5
119.01913	33.9
119.04932	9.6
119.08569	1.0
119.97888	5.5
120.08066	0.5
121.06511	0.7
122.94196	3.3
123.04433	10.5
123.08023	0.5
124.02433	1.6
124.99918	0.6
131.01836	0.6
131.06924	0.5
133.02811	0.9
134.03123	0.6
134.99663	0.8
136.03839	0.6
136.04732	1.4
136.07544	1.5
137.02956	13.2
137.05948	3.1
137.09586	0.8
140.95261	2.4
142.03496	20.8
146.05943	0.8
146.08105	0.9
147.04390	10.4
147.08051	1.1
158.96292	6.3
160.04536	7.8
160.97511	0.8
163.96786	0.9
164.03209	1.3
164.04266	3.7
164.05711	0.9
164.07027	6.2
164.09155	1.8
164.10501	0.9
164.12814	1.2
164.48146	0.5
165.01758	1.2
165.05464	4.7
165.09059	1.1
165.12698	0.6
181.97826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
52.40739	0.8
53.03942	6.8
55.05502	9.4
56.25186	0.8
57.07055	1.0
60.12422	0.7
60.36285	0.6
65.03932	1.1
67.05498	10.1
68.04482	0.7
69.07065	19.8
75.85509	0.7
76.02188	0.8
77.03918	1.5
79.05486	35.1
81.07051	51.0
82.07388	1.5
83.08614	10.6
84.08967	0.7
91.05473	13.8
92.02602	2.5
93.07038	51.7
94.07376	1.1
95.04971	11.8
95.08601	39.5
97.10161	1.1
100.02484	0.9
103.05471	1.7
105.03381	2.8
105.04517	2.1
105.07032	6.9
107.04941	3.8
107.08585	100.0
107.43062	0.8
108.08893	3.6
109.06514	2.0
109.10137	3.2
119.06044	1.1
119.08559	2.3
121.10136	34.1
122.10479	1.0
130.07790	0.9
131.04913	1.9
133.02849	14.2
134.03114	0.9
135.04410	17.5
135.08058	0.7
135.11685	11.0
145.10069	1.1
161.13196	0.7
163.03891	53.3
163.07518	1.4
163.11136	1.7
163.14812	55.7
164.04308	3.6
164.07080	1.1
164.15184	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02375	0.4
53.03936	2.4
55.01852	0.9
55.05503	0.7
56.05032	0.2
56.96558	0.4
57.03426	0.3
59.28491	0.2
65.03934	0.3
67.05488	1.1
68.05016	0.5
69.03413	0.8
69.07066	1.9
71.72760	0.3
77.03922	0.7
79.05486	8.1
80.05787	0.3
81.03407	0.7
81.04530	0.7
81.07045	2.3
82.05334	0.3
83.04984	0.5
84.08108	0.3
84.20102	0.2
89.03897	1.8
91.05469	4.8
92.02608	1.2
93.07033	5.5
94.07353	0.2
95.04959	5.9
95.06077	1.2
95.06684	0.2
95.08586	1.1
96.05298	0.4
96.06879	0.4
100.02478	0.7
103.05457	11.4
105.03387	2.2
105.04488	1.5
105.07014	3.2
106.06547	0.4
107.04945	10.1
107.08582	5.8
108.05630	0.5
108.08871	0.4
109.06506	0.8
115.05458	0.7
117.03359	1.0
117.05759	0.4
117.07004	4.7
118.03547	0.8
118.06516	0.4
119.04931	0.9
119.06037	0.3
119.08577	1.7
121.02876	0.3
121.06503	2.4
121.10133	2.3
122.06017	0.2
122.07102	1.4
123.07938	0.9
130.06508	1.1
130.07758	1.3
131.04918	14.2
132.05226	0.6
132.08073	1.1
133.02844	7.3
133.06467	2.9
134.03113	0.3
135.04407	10.9
135.08031	4.3
135.11702	2.1
136.04716	0.4
136.07646	0.4
136.08673	0.7
138.03085	0.3
143.08525	0.3
145.02831	0.8
145.03917	0.4
145.06496	0.9
145.10114	7.5
146.07079	0.6
147.08022	3.3
148.08817	13.9
149.09184	0.3
163.03891	35.2
163.07550	6.2
163.11156	100.0
164.04375	1.6
164.05498	0.2
164.07045	1.0
164.11565	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.2
51.02361	0.5
51.79140	0.2
53.03947	2.5
55.01868	1.0
55.05496	1.1
56.05019	0.5
56.96540	0.3
57.03411	0.3
57.07076	0.3
59.19368	0.2
61.01138	0.4
65.03930	0.6
67.01859	0.2
67.05506	1.2
68.05031	0.3
68.99754	0.3
69.03420	1.1
69.04542	0.2
69.07065	1.9
70.59596	0.4
70.59979	0.3
77.03908	0.6
78.95254	0.3
79.05489	8.1
80.05022	0.5
80.05797	0.3
81.03423	0.5
81.04528	0.7
81.07044	1.9
82.05326	0.5
82.06600	0.3
83.04999	0.5
83.06129	0.2
84.08162	0.2
85.02866	0.3
89.03900	1.2
91.04923	0.3
91.05473	4.9
92.02618	1.0
93.04504	0.3
93.07043	5.0
94.06522	0.3
94.07316	0.2
95.04962	5.6
95.06067	1.3
95.08598	0.7
96.06853	0.5
97.07642	0.7
98.20603	0.3
100.02468	0.7
102.05517	0.3
103.05462	13.6
104.05777	0.3
105.03408	1.9
105.04507	1.6
105.07024	4.1
106.06543	0.4
107.04950	9.5
107.06094	0.7
107.08590	6.4
107.51142	0.2
108.05580	1.0
108.52566	0.2
109.06495	0.7
109.07636	0.5
115.05437	0.7
117.03355	0.6
117.07013	4.9
118.03516	0.4
119.04923	0.9
119.06004	0.5
119.08562	2.0
120.05642	0.7
121.02854	0.4
121.06503	2.2
121.10130	3.2
121.95770	0.2
122.07132	2.0
123.07945	1.0
129.07071	0.2
130.06532	1.0
130.07759	1.6
131.04919	14.3
132.05244	0.5
132.08078	0.8
133.02841	7.1
133.06497	2.4
135.04410	10.3
135.05423	0.3
135.08037	4.1
135.11700	3.0
136.04816	0.3
136.07538	0.7
136.08682	1.7
138.03134	0.3
143.08556	0.5
145.02843	0.8
145.03937	0.5
145.06450	1.3
145.10117	7.5
146.07149	0.5
147.04408	0.3
147.08043	3.5
148.08817	13.3
149.09222	0.4
163.03900	33.1
163.07550	7.1
163.09911	4.3
163.11165	100.0
164.04388	1.8
164.06946	0.6
164.11549	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02374	0.2
53.00312	0.2
53.03948	0.6
55.01868	0.2
55.77288	0.2
65.03940	0.3
67.01859	30.8
67.05479	0.3
67.82967	0.2
68.02203	0.4
70.19463	0.8
77.03912	0.3
79.05486	3.1
81.17616	0.1
91.05476	2.8
92.92725	0.2
93.07000	0.2
95.04951	1.3
103.38034	0.2
105.03397	0.4
105.07009	0.8
107.04944	100.0
107.08573	2.2
108.05279	2.9
108.09010	0.2
109.06501	0.6
115.05443	1.9
117.07016	2.1
120.05733	0.2
123.43718	0.1
133.02835	1.1
135.04402	76.2
135.08008	5.3
136.04727	1.6
145.06461	0.7
148.05191	0.2
153.05452	10.6
154.05800	0.5
155.06015	0.2
163.03886	8.7
163.07532	4.3
163.11136	0.2
173.17841	0.2
176.07069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02382	0.2
53.03940	1.0
55.01856	0.4
55.05499	0.5
56.96581	0.1
57.07087	0.2
58.23370	0.1
67.05518	0.7
68.05034	0.2
69.03428	0.9
69.07066	1.6
70.13348	0.7
70.39537	0.2
71.04990	0.2
77.03927	0.5
78.95246	0.2
79.05489	5.7
80.05004	0.2
81.03388	0.3
81.04531	0.3
81.07055	1.3
82.05314	0.2
83.04964	0.5
86.77570	0.2
89.03893	0.8
91.05471	3.2
92.02612	0.5
93.06443	0.2
93.07037	4.1
95.04960	3.3
95.06095	0.5
95.08584	0.6
96.06850	0.2
97.06480	0.2
97.07637	0.3
102.05483	0.2
103.05457	7.2
105.03377	0.8
105.04498	0.6
105.07014	3.1
106.06550	0.2
107.04945	7.0
107.08586	3.6
108.05698	0.4
109.06497	0.4
115.05425	0.7
116.06220	0.2
117.03391	0.4
117.05729	0.2
117.07005	4.0
118.03514	0.2
119.04943	0.3
119.06055	0.2
119.08569	1.4
120.05556	0.3
121.06506	1.6
121.10143	1.7
122.07170	0.8
123.07941	0.3
129.07002	0.2
130.06511	0.2
130.07768	1.0
131.04915	8.9
132.05255	0.2
132.08067	0.4
133.02827	3.1
133.06496	2.4
134.07089	0.1
135.04411	3.8
135.08049	3.2
135.11691	1.4
136.07620	0.3
136.08672	0.6
143.08597	0.3
145.02846	0.5
145.06511	0.8
145.10117	7.2
146.07118	0.4
146.10527	0.2
147.08034	3.6
148.08817	13.7
149.09203	0.5
163.03899	14.6
163.07562	3.6
163.11163	100.0
164.04216	0.6
164.07037	0.2
164.11502	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	162.0548
Annotation	Jineol
Peak:m/z	Relative Intensity
53.03934	2.5
56.05027	0.9
58.06578	0.4
59.06104	1.1
60.04510	0.8
61.92836	0.6
62.97992	0.4
65.03924	0.5
68.04996	0.6
68.99800	0.4
69.03408	0.8
70.06577	0.9
70.18548	0.6
70.18832	2.0
72.04503	0.9
72.08122	0.7
72.98247	0.4
74.06052	1.8
77.03910	0.5
79.05494	3.8
80.05020	0.8
81.03407	0.7
81.04524	0.9
81.07044	0.5
82.05304	0.7
82.06554	0.7
83.06066	0.7
84.04490	1.1
85.02879	0.8
86.06064	0.6
88.07578	0.4
89.03913	3.3
91.05466	2.6
92.02609	0.9
92.04949	0.5
93.07021	1.1
94.06532	0.6
95.04959	4.5
95.06060	1.0
97.02879	0.4
98.06042	0.8
99.83511	0.4
101.07117	0.5
102.05517	1.8
102.96872	0.4
103.05460	2.8
105.03368	1.5
105.04499	1.3
105.07015	1.5
105.76447	0.4
106.06562	1.3
106.07322	1.0
107.04944	4.0
107.06067	1.1
107.08600	1.5
108.05582	0.6
109.07633	0.8
110.74610	0.5
111.60667	0.4
115.05451	0.6
116.04971	3.8
117.03370	1.6
117.07034	1.3
118.06538	1.0
119.04951	1.0
119.05942	0.7
120.04459	2.6
120.06548	1.3
120.08061	1.4
120.08876	0.6
120.96501	1.8
120.97952	1.1
121.02898	0.5
121.06459	0.6
122.07114	1.4
123.07924	1.3
130.07765	0.4
131.04903	1.5
132.08092	0.7
133.02849	5.3
134.03592	0.4
134.05975	2.3
134.06926	0.9
134.10486	0.8
135.04410	9.2
135.05434	0.6
135.08046	1.0
135.09074	0.7
136.08707	1.1
138.03264	0.5
138.98935	0.9
139.01813	1.6
139.46608	0.4
144.04440	1.5
145.02843	1.1
145.06441	1.2
145.09697	0.7
147.07979	0.5
156.96271	0.5
157.45667	0.4
162.05487	100.0
162.08961	3.6
162.13571	0.5
163.03893	29.2
163.05968	3.0
163.07509	1.9
163.09756	2.5
163.11156	1.2
180.04446	0.7
181.02849	1.0
182.89912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03937	0.8
55.05510	5.3
67.05501	2.0
69.07072	7.5
71.05280	1.2
71.05627	0.5
79.05495	4.2
81.07056	5.7
85.31954	0.6
91.05476	16.0
93.07032	3.6
95.04934	0.8
95.08644	0.5
97.02869	0.6
103.05463	2.4
104.06264	0.7
105.07024	82.8
106.07361	2.1
107.04920	0.7
107.08590	1.9
115.05463	1.7
117.07018	5.7
117.67757	0.5
118.04175	0.8
119.08574	100.0
120.08837	3.3
121.10155	2.0
128.06213	1.1
131.08560	4.4
133.06494	2.7
133.10118	29.7
134.10472	1.1
143.08574	1.4
145.10123	1.0
146.03613	1.6
146.07317	0.8
146.10901	3.5
159.11710	3.5
161.05957	4.2
161.09622	6.1
161.13249	76.3
162.05499	2.6
162.13612	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.42955	0.2
51.02376	0.2
51.39964	0.2
53.03945	0.8
55.01875	0.4
55.05510	5.6
59.06121	0.3
59.10515	0.2
67.05508	0.4
69.07068	2.3
70.40347	0.4
70.40730	0.4
78.93141	0.4
79.02976	0.2
79.05491	2.2
81.07048	1.0
84.04478	0.3
91.05475	8.8
93.04538	0.3
93.07035	1.4
93.21418	0.2
95.04977	0.4
97.02869	0.3
103.05456	1.6
104.06254	0.6
105.03434	0.2
105.07025	18.4
106.07372	0.5
107.04939	0.2
107.06074	0.3
107.08579	1.5
113.02410	0.2
115.05452	0.9
117.07024	3.5
118.04166	0.4
118.07796	0.2
119.08576	100.0
120.05608	0.5
120.08072	0.3
120.08891	3.0
121.06399	1.2
121.10149	2.8
128.06216	0.5
131.04926	0.2
131.08583	2.5
133.06493	1.8
133.10123	18.4
134.07114	0.8
134.10460	0.7
143.08574	0.8
144.09323	0.3
145.10127	0.5
146.03632	0.7
146.07274	0.5
146.10913	1.0
159.11723	0.9
161.05980	2.4
161.07034	0.2
161.08217	0.7
161.09602	3.5
161.13254	19.3
162.05486	0.7
162.09047	0.5
162.13643	0.9
168.39189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05500	1.4
66.39235	0.3
67.05496	2.1
69.03405	0.4
69.07054	2.3
77.01220	0.3
79.05487	3.1
81.07047	2.7
81.61700	0.2
84.69253	0.2
91.05467	9.8
93.07052	2.4
95.04942	0.6
95.08614	1.4
103.05457	1.8
105.07018	57.8
106.07341	1.5
107.04945	0.4
107.08593	0.8
115.05453	1.4
117.07016	3.0
117.35612	0.3
118.04137	0.8
119.08566	100.0
120.08884	3.4
121.06533	0.3
121.10106	0.9
125.64310	0.3
128.06189	0.9
130.07799	0.3
131.08560	1.9
132.09332	0.4
133.06561	1.6
133.07472	0.5
133.10114	18.4
134.10417	0.5
143.08527	0.7
145.10057	0.7
146.03603	1.1
146.07263	0.6
146.10886	1.2
159.11646	0.7
161.05965	2.2
161.07120	0.4
161.09625	5.3
161.13245	25.6
162.05449	1.4
162.09076	0.7
162.13579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03939	0.3
54.69578	0.1
55.05504	0.6
67.05492	0.5
69.03410	0.2
69.07058	0.5
71.04977	0.2
71.05325	0.3
77.03928	0.1
77.11121	0.1
79.05488	1.6
81.07050	0.9
91.05475	5.6
92.05806	0.2
93.07041	1.0
95.04948	0.3
95.08652	0.2
103.05453	1.2
104.06246	0.6
105.07025	22.3
106.07355	0.6
107.04960	0.2
107.08607	0.3
115.05475	0.5
117.07013	1.9
118.04214	0.2
119.08573	100.0
120.08894	3.5
121.06485	0.2
122.92223	0.2
128.06180	0.4
131.08566	0.5
133.06487	0.8
133.10121	4.3
143.08565	0.5
145.10178	0.2
146.03635	0.4
146.10875	0.3
159.11771	0.2
161.04736	0.1
161.05972	1.0
161.09619	2.6
161.13254	8.9
162.05516	0.7
162.13573	0.4
180.69591	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	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75668	0.1
53.03942	0.2
54.39358	0.1
55.01870	0.1
55.05514	0.9
65.03944	0.1
66.02097	0.1
66.50857	0.1
67.05496	0.5
69.03420	0.1
69.07063	0.9
71.18972	0.2
71.19322	0.2
74.48824	0.1
77.03922	0.2
79.05498	1.6
81.07050	1.3
91.05472	8.0
92.05820	0.3
93.07038	1.4
95.04956	0.3
95.08595	0.3
103.05444	1.2
104.06248	0.5
105.07021	23.7
106.06673	0.2
106.07313	0.7
107.08575	0.4
115.05495	0.6
117.07013	2.5
118.04221	0.1
119.08570	100.0
120.08891	3.0
121.10125	0.2
128.06207	0.1
131.04956	0.1
131.08528	0.8
132.09323	0.1
133.06473	0.7
133.10118	5.5
134.06000	0.1
134.10481	0.2
143.08521	0.4
145.10164	0.2
146.03673	0.2
146.10829	0.2
159.11667	0.4
161.05972	0.8
161.06943	0.1
161.07158	0.2
161.09599	1.4
161.13245	10.6
162.05470	0.6
162.13594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01852	0.9
55.05493	0.4
55.73097	0.2
60.17229	0.2
63.53736	0.2
67.05489	0.6
69.03056	0.4
69.03425	7.7
69.07032	0.5
71.71037	0.3
74.06084	0.3
76.45037	0.2
77.03909	0.3
78.93105	0.8
79.05474	1.6
81.07025	1.0
82.20049	0.2
88.98423	0.2
91.05473	5.7
93.07038	2.0
95.04957	0.6
99.45099	0.2
101.95007	0.2
103.05451	1.3
105.03383	0.3
105.07018	19.6
106.07322	0.3
107.04925	0.5
107.08577	0.3
115.05444	1.7
117.07028	1.8
118.04092	0.5
118.07790	0.4
119.04930	0.6
119.08573	6.8
119.95773	0.5
120.06575	0.4
120.08086	0.3
121.06455	1.4
128.06204	5.6
128.07092	0.4
131.04919	1.2
131.08542	1.6
132.05727	1.7
133.06487	3.5
133.10109	7.6
134.07085	0.3
137.96860	0.5
143.08537	7.1
144.08902	0.4
145.06467	3.8
146.03604	0.6
146.07265	4.9
147.07632	0.3
159.08044	4.8
159.11668	0.3
161.06032	3.1
161.09598	100.0
161.13202	4.3
162.05367	1.1
162.10001	4.5
162.13602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02370	0.4
53.03945	2.9
55.01870	4.7
55.05497	1.2
58.99572	1.1
59.06130	0.5
61.78219	0.5
63.02391	0.5
64.62046	0.4
65.00280	0.4
65.03931	1.0
66.04720	1.8
66.65174	0.4
67.05476	0.7
69.03415	0.8
69.07075	0.5
71.70639	0.5
71.77531	0.4
73.02906	0.5
74.06061	0.4
78.93141	0.7
79.05488	17.7
81.07034	1.7
84.04491	0.7
85.02916	0.5
85.52583	0.4
89.03901	1.1
90.04688	3.9
91.05470	7.5
91.53741	0.4
92.02621	0.9
93.04516	1.0
93.07034	1.2
95.04964	5.1
97.02882	1.1
98.06021	0.4
102.04687	0.6
102.05527	0.5
103.05457	22.7
105.03427	0.8
105.04513	1.7
105.07020	100.0
106.06596	0.8
106.07310	3.2
107.04945	2.1
107.06062	0.9
109.56255	0.4
113.02345	1.1
115.05444	26.6
116.01679	0.8
116.05733	0.6
117.06993	1.7
118.04144	20.2
119.08569	7.1
119.95753	0.9
120.05562	1.7
120.08036	0.4
121.06350	3.4
128.06216	1.3
131.04927	4.8
131.08536	1.0
132.05676	1.2
133.06479	46.7
133.10104	6.2
134.06042	0.4
134.07056	3.0
137.96857	0.5
143.04916	1.1
143.06039	3.6
143.08566	2.0
144.05453	0.5
146.03619	5.2
146.07257	0.9
161.04607	1.0
161.05965	19.5
161.08212	3.7
161.09595	9.8
161.13257	5.9
162.05453	1.6
162.09048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.2
58.99858	0.2
60.00614	0.2
60.95837	0.2
61.44826	0.1
63.51802	0.1
69.74535	0.1
71.05122	0.3
80.64742	0.1
82.99795	0.7
83.99917	0.1
98.97572	0.4
100.02470	0.2
100.97182	0.2
101.00867	15.7
101.95022	0.4
102.00926	1.7
102.96859	0.6
103.00620	0.5
105.07024	0.5
116.05701	0.1
116.98627	0.3
118.03522	0.4
119.01909	100.0
119.24346	0.1
119.96100	0.2
120.01993	9.4
120.97859	0.6
121.01632	1.4
121.02373	0.3
124.02439	0.3
133.03461	0.2
133.10117	0.2
134.99620	0.2
136.04544	0.2
136.49295	0.1
137.02946	39.3
137.97148	0.1
138.03044	3.6
138.04225	0.2
138.98936	0.4
139.02682	0.4
142.03481	3.6
142.04543	0.2
143.01999	0.1
143.03693	2.6
144.03181	1.0
157.03419	0.3
160.04524	1.1
161.02948	2.9
161.04645	2.6
162.03090	0.3
162.04263	1.3
179.03984	5.6
179.05576	0.9
180.04076	0.3
180.05397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02366	0.5
51.66660	0.3
53.03946	2.4
55.01870	4.9
66.04711	1.8
69.60109	1.2
69.60535	1.7
77.03907	0.6
79.05486	19.4
80.05822	0.9
88.91782	0.4
89.03902	1.4
90.04687	3.7
91.05464	4.7
92.02617	0.5
93.07027	0.4
95.04961	5.2
97.02849	0.4
102.04659	0.8
103.05459	23.1
105.07018	100.0
106.07353	2.5
107.04937	1.5
115.05443	29.0
116.05801	0.7
118.04152	19.9
119.08578	1.2
121.06377	0.7
131.04906	5.8
132.05664	1.4
133.06476	46.6
133.10127	1.3
134.06804	1.9
137.32367	0.4
143.04909	0.8
143.06007	4.3
146.03607	1.2
155.75484	0.3
161.05957	10.6
161.07182	0.6
161.08208	0.8
161.09505	2.3
161.13281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
50.87227	0.3
53.03931	0.4
53.11267	0.3
55.01862	1.0
55.05494	1.0
56.05032	2.4
56.96558	5.7
56.97476	0.3
57.03429	0.8
57.07060	0.5
58.02957	0.4
58.06580	1.0
59.06123	6.4
59.93110	2.4
60.04524	3.6
60.95816	0.4
61.01155	0.4
61.02937	0.6
64.12244	0.3
66.93517	0.3
67.04240	1.8
67.05483	0.9
68.05009	1.1
69.03429	1.8
69.07014	0.4
69.89426	1.9
70.06581	1.9
71.06101	0.7
71.94099	0.8
71.95241	0.6
72.04507	1.4
72.08139	1.0
72.93779	0.5
73.02911	0.5
74.06061	0.7
75.05598	1.2
77.94153	1.1
79.05468	1.3
80.05034	0.5
81.03385	0.4
81.07037	0.5
81.12549	0.3
82.02934	0.5
82.06583	0.7
83.04961	0.4
83.06087	0.6
84.04492	1.9
84.08125	0.6
85.02900	1.5
85.04000	0.5
85.07666	1.1
86.06048	1.5
86.09710	2.5
87.04458	0.5
87.05589	0.4
88.04004	1.6
88.07630	0.4
91.05474	2.6
95.04948	0.3
95.06061	0.5
95.95171	1.1
96.03338	0.3
96.04486	0.8
96.08095	1.6
97.02346	0.3
97.02903	1.9
97.07638	1.1
98.06026	1.3
98.09689	0.7
98.97582	2.5
99.05578	0.9
99.09184	0.5
99.97932	0.5
100.03971	1.1
100.07599	1.1
100.08705	0.4
100.97208	0.7
100.97942	0.4
101.00846	1.0
101.03485	0.3
101.07134	1.8
101.95013	1.0
102.05553	1.8
102.09151	0.6
103.05431	0.7
104.04985	0.4
105.07024	7.8
106.07349	0.9
107.04942	0.4
107.06068	0.4
112.05084	0.8
112.07587	0.6
113.02357	1.3
113.07145	0.6
114.05501	1.5
114.09159	3.6
115.05453	18.7
115.08646	0.4
116.00229	0.3
116.04961	0.7
116.05789	0.9
116.10706	2.7
116.98593	2.4
117.05767	9.7
117.07059	1.7
117.95952	0.3
117.98936	1.0
118.03468	0.3
118.06533	3.1
118.07362	0.8
118.96751	8.5
118.98153	0.7
118.99016	0.4
119.01902	8.7
119.08577	1.4
119.96082	0.7
120.05653	0.4
121.01682	0.3
121.06423	0.5
125.07078	1.1
128.06194	0.4
130.06508	1.7
130.07355	0.3
130.08617	0.4
131.04926	1.0
131.07271	0.7
131.08403	0.4
132.04433	1.2
132.06534	0.5
132.08080	18.0
132.08897	1.0
133.05234	1.2
133.06476	4.9
133.07489	0.3
133.10109	1.2
133.99091	0.5
134.01256	0.8
134.07162	0.8
134.99654	2.5
135.99974	1.4
136.04529	0.4
136.99231	1.5
137.02945	5.1
137.03964	0.4
137.97121	1.5
142.02286	0.5
142.03482	3.9
142.04947	0.4
142.06540	3.2
142.08636	1.4
142.09680	0.6
143.07268	2.1
143.08249	1.0
144.04482	0.4
145.09612	0.4
146.03642	0.4
146.06035	0.6
146.07181	0.6
150.95746	1.1
153.00650	0.4
154.59097	0.8
154.96451	4.1
155.98187	0.6
159.06770	4.0
160.04781	4.2
160.07565	100.0
160.09705	2.8
160.11955	2.6
161.04817	0.5
161.05981	1.8
161.07945	3.8
161.09505	2.3
161.13300	0.7
163.00490	0.3
172.97530	0.5
177.00633	0.4
177.98044	0.7
178.05615	1.2
179.03952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.3
56.96556	0.9
57.03434	0.3
58.06594	0.4
58.99857	0.3
59.06112	1.4
59.93100	1.3
60.00637	0.3
60.04519	0.7
67.05502	0.2
70.91187	0.5
71.58405	0.2
71.95257	0.2
72.08157	0.2
75.05581	0.3
77.13921	0.2
77.94115	0.4
78.93127	0.2
82.01448	0.4
82.99805	0.9
84.04510	0.4
86.06049	0.2
91.05465	0.3
95.06066	0.3
95.95187	0.4
97.07678	0.4
98.97562	0.5
99.05575	0.3
99.97939	0.3
100.02464	1.6
100.07594	0.2
100.97197	0.4
100.97980	0.4
101.00867	13.2
101.07136	0.5
101.95026	1.2
102.01002	0.5
103.00609	0.3
105.07056	0.9
114.05560	0.2
115.05462	0.4
115.08656	0.3
116.98619	0.7
117.05780	0.2
117.98951	0.3
118.01691	0.4
118.03517	7.5
118.06556	0.5
118.96761	4.2
119.01910	100.0
119.08617	0.2
119.33611	0.2
119.96078	0.5
120.02017	2.6
120.03255	0.9
121.01652	1.5
121.02395	0.4
122.01134	0.2
124.02397	2.0
125.07101	0.3
133.03447	0.2
133.06458	0.5
133.99086	0.3
134.99640	0.9
135.99980	0.4
136.02788	2.9
136.04535	7.5
136.95476	0.3
137.02951	46.4
137.97061	0.6
138.03052	1.1
138.04251	0.4
139.02672	0.7
139.03644	0.2
141.05046	0.4
142.03488	38.6
143.03708	1.8
143.08086	0.4
144.03203	0.2
150.41945	0.2
150.95737	0.4
154.03748	0.5
154.59090	0.5
154.96471	1.4
159.06145	0.4
160.04543	40.4
160.12006	0.5
161.02907	1.5
161.04404	1.8
161.04610	1.9
161.06082	0.4
161.09494	0.5
165.05093	2.1
170.05096	0.2
172.97578	0.2
177.98219	0.3
178.05595	14.3
179.03983	2.5
179.05519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
54.04869	0.2
55.01871	0.3
55.05507	2.6
56.05028	6.1
56.96561	0.4
57.07064	0.5
57.38117	0.2
58.06606	0.3
58.62222	0.2
58.99580	0.8
59.06118	0.9
59.47289	0.2
59.82313	0.3
60.04521	0.5
61.01147	11.2
67.05499	0.3
69.07062	0.9
70.06574	2.8
70.43314	0.8
71.06121	0.3
74.06083	0.3
74.93851	0.3
75.05592	0.4
76.02227	1.9
76.93369	1.0
77.53176	0.2
79.05488	17.1
80.05843	0.3
80.06268	0.3
81.03398	0.3
81.07048	7.5
82.07407	0.3
83.06098	0.4
84.04502	0.7
85.01121	100.0
85.23212	0.2
86.01460	1.6
87.02685	1.5
87.05575	1.3
88.02206	7.4
91.05492	0.5
95.04953	1.2
95.06040	0.3
97.07659	0.3
98.06060	0.5
98.07194	0.4
98.09684	11.3
98.20818	0.3
98.97597	1.5
99.05571	0.7
100.07585	0.6
102.09196	1.3
105.07019	0.5
112.07585	1.7
113.04219	28.9
114.04559	0.7
115.05746	0.9
116.07025	0.3
116.08200	0.3
116.97212	0.9
116.98609	1.9
117.06986	0.5
117.85960	0.3
117.95991	0.5
129.07014	0.3
130.06726	0.2
131.04907	0.5
131.08522	1.0
134.99620	1.5
135.96979	0.4
136.27551	0.3
140.07010	0.4
141.01794	1.1
141.07315	20.9
142.07610	0.8
143.08257	0.3
144.09276	0.6
152.96907	0.5
153.00703	0.3
158.08118	0.6
158.09761	10.6
158.15388	1.4
159.07944	0.6
159.10283	0.4
159.11659	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	158.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57525	0.2
54.98637	0.4
55.01858	0.7
55.05503	0.6
56.05032	2.0
56.96560	45.9
57.03432	2.0
57.07076	0.4
57.97344	0.2
58.02953	0.4
58.06594	0.8
58.96166	0.5
59.06118	1.8
59.93108	0.5
60.04531	1.0
60.95839	0.7
61.02926	0.4
65.03931	0.3
67.01832	0.2
67.05495	0.8
68.05010	0.5
69.03428	1.0
70.06580	2.0
70.23660	0.8
70.98118	0.8
71.01341	0.5
71.04984	0.6
71.06099	0.4
71.06927	1.5
71.07304	0.3
71.95259	6.3
72.04508	1.2
72.08153	0.9
72.96021	0.4
73.02900	0.9
73.05310	0.2
73.06559	0.3
74.06075	0.5
74.97605	0.8
75.01030	0.2
75.05576	0.2
75.93598	0.2
76.02170	0.2
76.03993	0.7
76.93357	1.4
77.00787	0.7
78.51171	0.2
81.03414	0.9
81.04538	0.3
81.07011	0.3
82.02913	0.3
82.06583	0.4
83.00774	0.6
83.04992	0.2
83.06104	0.7
84.01543	0.3
84.04504	2.0
84.08137	0.4
84.96035	1.4
85.02894	2.9
85.04018	0.2
85.07680	0.3
86.01316	0.3
86.02444	0.5
86.06046	1.0
86.09680	0.3
87.04445	0.3
87.05553	0.2
88.03975	0.3
88.99152	0.9
89.00785	1.0
91.02316	0.2
91.05461	2.1
92.01278	0.6
92.98605	0.3
93.07078	0.2
94.94392	0.5
95.04949	0.6
95.06081	1.1
96.04480	0.6
96.08117	0.4
97.02324	0.2
97.02882	0.6
97.62483	0.2
97.99170	0.5
98.01296	0.3
98.04813	0.2
98.06035	0.5
98.97573	65.3
99.04449	0.9
99.05574	2.1
99.97208	0.4
99.97891	2.4
100.03960	0.7
100.05876	0.2
100.07624	0.4
100.95701	0.2
101.00848	0.5
101.02388	0.3
101.07142	0.4
102.05525	0.8
102.97048	0.3
103.05453	0.6
104.01273	0.7
105.07001	2.2
107.00172	0.5
107.01823	0.2
109.00472	0.4
110.01278	0.6
110.97545	0.3
111.05582	0.3
112.07568	0.5
112.99166	0.3
113.01737	0.6
113.02412	1.5
113.05965	0.4
113.07117	1.5
113.07944	0.9
114.02483	0.2
114.05517	0.9
114.09131	0.7
115.05501	1.3
116.00208	0.4
116.06227	0.6
116.07034	0.3
116.10733	0.4
116.98610	88.0
117.07057	2.0
117.95953	1.1
117.98938	3.8
118.00990	1.0
118.03496	0.4
118.04988	0.3
118.06559	0.3
118.96770	2.3
118.98206	0.5
118.98983	0.3
119.01895	3.0
119.03597	0.3
119.08565	0.8
120.01945	0.2
121.01612	0.3
127.00273	0.7
127.01529	0.4
128.02361	1.1
128.98579	0.4
129.06992	1.4
129.51732	0.3
130.07768	0.8
130.08688	0.2
131.00133	0.8
131.01892	2.3
131.04913	0.8
131.08560	4.6
132.00757	0.3
132.06517	0.4
132.08086	0.9
133.01712	0.6
133.99025	0.2
134.01251	0.7
134.99644	100.0
135.97058	1.1
135.99065	0.4
135.99983	5.4
136.02724	0.5
136.04491	0.3
136.99179	0.4
137.00105	0.6
137.02893	1.2
137.05933	1.0
138.04251	0.2
140.00183	4.9
140.98509	0.3
141.01834	4.7
141.06558	1.3
141.10170	0.4
142.03453	2.0
142.04988	0.4
142.06494	0.9
142.07608	0.3
142.08699	0.3
143.08324	0.3
144.05707	0.3
144.09352	1.7
145.03287	0.2
146.99660	1.0
147.00591	0.2
149.01193	0.8
149.02963	1.8
150.95732	0.3
151.02824	0.4
153.00693	19.9
153.96725	0.8
153.99994	0.2
154.01059	1.3
154.59077	1.6
154.96443	0.7
157.02628	0.6
157.10097	0.8
158.01242	8.9
158.99655	1.5
159.01546	0.8
159.02992	0.5
159.04344	0.4
159.07918	2.2
159.09143	0.7
159.10040	0.6
159.11662	8.8
159.15799	0.4
160.04539	1.9
160.05843	0.3
160.07449	0.5
161.01193	0.3
161.02795	0.3
162.99188	0.3
163.02798	0.2
165.00699	0.3
167.02245	0.2
175.02728	0.3
176.02263	1.2
176.98393	0.3
177.00688	1.8
177.02368	1.0
177.03833	0.2
178.05533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39860	0.3
54.98630	0.4
55.01866	0.3
56.05034	0.6
56.96560	24.5
57.03421	0.7
57.07073	0.3
57.93559	1.7
58.06594	2.1
59.06113	0.8
60.04522	0.8
68.05030	0.3
69.03423	0.6
70.01822	0.9
70.02239	0.4
70.06586	9.3
71.04976	0.4
71.95262	3.2
72.04494	0.5
72.93739	0.3
72.95660	0.4
75.93604	0.3
75.94598	0.7
76.93367	0.5
83.04970	0.4
83.06095	1.0
84.04520	0.5
84.08128	0.8
84.96029	0.4
85.02874	0.3
85.06529	0.5
86.06067	0.3
87.05592	0.8
89.00793	0.3
95.06094	0.3
96.04481	0.4
97.02875	0.3
97.07637	0.3
97.99170	0.5
98.06053	1.0
98.97573	100.0
99.04404	0.3
99.05579	0.9
99.97909	1.0
100.07602	0.5
102.09180	0.5
111.09193	0.3
112.07590	3.6
113.02392	0.3
113.07121	0.5
116.00204	0.5
116.07081	1.7
116.97230	7.4
116.98608	95.2
117.98949	0.8
118.03500	0.7
119.01878	1.9
121.01627	0.7
123.11726	0.4
124.04628	0.3
128.02327	0.3
128.98669	0.3
130.06506	0.6
131.00169	0.4
131.99486	0.4
134.01282	0.5
134.02983	1.1
134.99644	61.8
136.00009	0.6
137.02931	0.6
139.99081	0.5
140.00165	4.0
140.07164	0.5
140.08162	0.4
141.01785	0.6
141.06570	0.5
141.10239	0.5
148.96136	0.5
149.01208	0.3
149.02940	0.3
152.96907	2.9
153.00685	9.3
153.96620	0.3
158.01256	4.4
158.08105	0.5
158.09581	2.9
158.11674	0.4
158.12868	0.3
158.15381	3.4
159.11639	0.6
170.97935	0.4
176.02301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98650	0.4
55.94302	0.3
56.96562	15.0
57.93553	0.5
70.06345	1.5
70.61332	0.4
71.95258	2.9
80.58414	0.3
95.06075	0.3
98.97577	100.0
99.05558	0.3
100.02479	0.8
101.00873	1.1
102.02218	0.3
113.22182	0.3
116.01911	1.8
116.98613	85.8
117.98979	1.0
118.03518	3.5
119.01911	7.1
119.03663	0.4
120.02020	0.5
121.01648	0.4
134.01350	0.4
134.02972	9.4
134.04688	0.5
134.99649	44.7
135.03224	1.9
136.02695	0.4
136.04532	1.1
137.02940	2.6
140.00186	3.0
142.03494	0.4
152.04030	1.2
152.05885	0.5
152.96964	1.1
153.00717	5.8
157.04601	0.7
158.01248	3.7
158.02968	0.8
158.04842	0.4
158.09581	1.0
176.02423	0.5
176.04024	1.0
176.05875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0494
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
51.02369	1.0
53.03941	7.2
55.01865	100.0
55.05505	12.6
55.13272	1.0
56.02198	2.0
56.05017	1.9
56.96559	64.9
57.03431	7.8
57.07071	0.8
57.93559	0.9
58.06595	1.7
59.04998	2.0
60.04541	0.8
61.02918	5.0
62.95098	0.6
65.03931	14.5
65.97217	0.8
67.01855	0.9
67.05497	34.6
67.51068	3.1
68.05019	1.7
68.05826	0.9
68.99790	4.4
69.03426	19.5
69.07047	3.9
70.04082	4.5
70.06583	45.8
70.95863	1.6
71.01334	2.2
71.04983	1.1
71.17695	1.1
71.18010	1.0
71.95242	1.1
72.93790	2.6
73.02919	5.6
74.00260	1.7
74.93820	1.8
74.97613	2.0
75.01041	2.3
76.51591	1.0
77.00861	0.8
77.03951	0.7
79.01830	1.7
79.05501	1.0
80.00262	0.9
81.03420	2.5
82.05312	0.9
82.06561	1.2
83.00789	6.7
83.01344	8.5
83.04970	53.8
83.06037	1.4
84.01556	1.3
84.04507	2.6
84.05309	1.6
84.08153	2.8
84.96037	1.5
84.99240	3.3
85.02895	10.5
86.06081	2.0
86.51849	2.0
87.00822	0.9
88.51546	0.8
88.96894	0.8
89.00772	4.1
90.01595	0.9
90.94839	1.1
91.05487	1.1
92.01293	12.1
92.94879	0.8
93.03390	12.8
93.07050	1.7
94.51565	4.1
95.01290	3.8
95.04958	86.7
95.08625	1.6
95.52344	2.7
96.05300	3.2
97.00526	0.7
97.02882	7.3
97.06535	3.0
97.07698	0.7
97.10136	1.2
97.99168	5.2
98.01306	2.3
98.06076	3.0
98.97572	12.6
99.04459	1.3
100.07652	2.1
100.51586	2.0
101.02393	2.8
101.06041	1.0
102.01556	2.6
102.09209	1.9
103.00520	3.0
103.05475	1.2
103.52073	7.2
105.04499	3.6
106.01048	1.1
109.52089	1.3
110.07212	0.9
111.00172	0.8
111.00857	4.1
111.02034	3.3
111.04433	41.3
111.05550	7.1
111.07499	2.0
111.08144	1.5
111.09194	0.9
112.02271	0.9
112.04782	1.2
112.07594	20.0
113.02354	8.1
114.05527	5.5
115.01547	1.2
115.02869	0.8
115.03937	1.1
115.08711	0.7
115.96465	2.0
116.00217	5.0
116.07081	9.4
116.97234	3.0
116.98602	14.0
119.01876	3.4
120.00796	1.4
120.01945	1.5
120.02662	1.4
121.01675	2.2
121.02840	9.3
122.52907	0.9
124.95523	1.2
125.02380	1.3
128.06255	2.6
128.98647	1.2
129.01869	2.9
129.05505	1.5
129.06990	7.7
130.06535	1.3
133.01620	1.7
133.03473	0.7
133.96115	1.4
133.97501	1.4
134.00392	3.5
134.01361	1.3
134.99651	13.2
137.02968	1.2
138.03134	0.9
139.00279	1.3
139.03879	8.3
140.00160	0.8
140.07079	1.4
141.06956	3.3
142.07758	19.7
142.96556	2.7
143.01068	1.1
143.03560	1.2
143.08130	0.8
145.06493	0.7
145.51277	1.0
146.39453	0.7
146.99698	2.2
148.96037	0.8
150.96931	2.9
150.99144	0.8
151.97122	2.8
152.96960	0.9
153.00742	2.8
157.01303	12.9
157.04980	5.3
157.06349	2.9
157.07687	2.3
157.10095	14.5
158.01350	1.5
158.04498	1.2
158.05690	2.9
158.08168	4.4
158.09683	10.0
158.15433	2.7
158.99635	1.3
160.97498	4.8
161.01266	1.8
162.99193	2.1
163.99054	0.7
174.99121	1.4
175.02492	1.2
177.00781	0.7
178.98555	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	154.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93825	2.5
55.01857	0.4
55.05503	1.2
55.93520	0.5
55.94616	0.4
55.98864	0.2
56.05039	0.2
56.96561	20.8
57.03424	0.7
58.22343	0.2
60.04523	0.3
60.95826	0.2
65.03929	0.5
67.05496	0.5
69.03432	0.6
69.07052	0.2
69.69042	1.5
69.96171	28.7
70.95447	0.2
70.95857	7.7
70.98116	1.0
71.04994	1.8
71.94095	10.5
71.95235	0.2
72.08111	0.3
72.93781	11.0
72.94881	0.4
72.96037	0.4
73.02917	0.2
73.95651	0.3
74.97604	0.4
75.01062	0.3
79.01846	0.3
81.03407	0.9
81.04539	0.2
81.07055	0.4
82.06572	0.2
83.04981	1.0
83.97623	0.3
84.01550	0.4
84.08085	0.2
84.96008	0.3
85.02913	0.2
85.95638	0.3
87.97201	1.0
88.50366	0.3
88.96902	2.1
88.99147	0.2
89.00784	0.7
89.95124	0.9
90.94827	2.5
91.00478	0.3
91.05463	0.2
93.03382	0.3
95.01336	1.2
95.04944	0.5
95.06098	0.3
97.02858	0.3
97.99175	1.3
98.01275	0.5
98.07173	0.4
98.97570	0.7
99.04453	3.5
100.02469	0.6
101.00852	0.5
103.96677	0.3
104.01295	0.3
108.95866	0.3
109.02899	1.3
109.06534	0.3
109.07660	0.4
109.10152	0.2
110.01259	0.6
110.06011	0.2
110.07169	0.8
110.98775	1.5
111.04431	1.0
111.98470	3.2
112.01550	0.4
112.96731	0.4
113.00862	0.4
113.05984	0.5
113.95078	2.2
113.96387	2.8
113.98649	1.9
116.00219	0.8
116.98608	0.5
118.01051	0.3
118.03484	0.3
119.01885	2.3
121.97733	0.2
124.99998	0.2
127.03896	2.7
127.07503	0.4
128.98653	0.4
128.99750	0.2
129.99518	1.8
130.01753	0.2
130.06256	0.3
131.01907	1.8
131.96133	56.8
131.99628	2.9
132.05067	0.7
132.95799	7.8
133.03479	0.2
134.01263	0.3
137.03001	0.4
137.05980	0.2
137.98344	0.5
138.06349	0.8
141.01251	0.8
142.03445	0.4
146.99638	0.3
149.02963	0.3
149.97188	100.0
150.00594	2.8
150.06100	0.5
150.96858	16.3
151.97577	0.5
154.90715	1.2
154.94144	0.3
154.97745	3.8
154.99007	0.4
155.02205	0.5
155.03395	1.0
155.07118	1.1
155.08144	0.5
155.11748	0.4
155.97415	0.9
155.99612	0.3
163.98764	0.3
167.98245	8.6
168.01740	0.6
168.97867	0.4
169.20929	0.2
172.95277	0.5
172.97441	0.4
172.98811	6.1
173.01089	0.3
173.02635	0.3
173.98442	1.6
174.00713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93825	2.5
55.01857	0.4
55.05503	1.2
55.93520	0.5
55.94616	0.4
55.98864	0.2
56.05039	0.2
56.96561	20.8
57.03424	0.7
58.22343	0.2
60.04523	0.3
60.95826	0.2
65.03929	0.5
67.05496	0.5
69.03432	0.6
69.07052	0.2
69.69042	1.5
69.96171	28.7
70.95447	0.2
70.95857	7.7
70.98116	1.0
71.04994	1.8
71.94095	10.5
71.95235	0.2
72.08111	0.3
72.93781	11.0
72.94881	0.4
72.96037	0.4
73.02917	0.2
73.95651	0.3
74.97604	0.4
75.01062	0.3
79.01846	0.3
81.03407	0.9
81.04539	0.2
81.07055	0.4
82.06572	0.2
83.04981	1.0
83.97623	0.3
84.01550	0.4
84.08085	0.2
84.96008	0.3
85.02913	0.2
85.95638	0.3
87.97201	1.0
88.50366	0.3
88.96902	2.1
88.99147	0.2
89.00784	0.7
89.95124	0.9
90.94827	2.5
91.00478	0.3
91.05463	0.2
93.03382	0.3
95.01336	1.2
95.04944	0.5
95.06098	0.3
97.02858	0.3
97.99175	1.3
98.01275	0.5
98.07173	0.4
98.97570	0.7
99.04453	3.5
100.02469	0.6
101.00852	0.5
103.96677	0.3
104.01295	0.3
108.95866	0.3
109.02899	1.3
109.06534	0.3
109.07660	0.4
109.10152	0.2
110.01259	0.6
110.06011	0.2
110.07169	0.8
110.98775	1.5
111.04431	1.0
111.98470	3.2
112.01550	0.4
112.96731	0.4
113.00862	0.4
113.05984	0.5
113.95078	2.2
113.96387	2.8
113.98649	1.9
116.00219	0.8
116.98608	0.5
118.01051	0.3
118.03484	0.3
119.01885	2.3
121.97733	0.2
124.99998	0.2
127.03896	2.7
127.07503	0.4
128.98653	0.4
128.99750	0.2
129.99518	1.8
130.01753	0.2
130.06256	0.3
131.01907	1.8
131.96133	56.8
131.99628	2.9
132.05067	0.7
132.95799	7.8
133.03479	0.2
134.01263	0.3
137.03001	0.4
137.05980	0.2
137.98344	0.5
138.06349	0.8
141.01251	0.8
142.03445	0.4
146.99638	0.3
149.02963	0.3
149.97188	100.0
150.00594	2.8
150.06100	0.5
150.96858	16.3
151.97577	0.5
154.90715	1.2
154.94144	0.3
154.97745	3.8
154.99007	0.4
155.02205	0.5
155.03395	1.0
155.07118	1.1
155.08144	0.5
155.11748	0.4
155.97415	0.9
155.99612	0.3
163.98764	0.3
167.98245	8.6
168.01740	0.6
168.97867	0.4
169.20929	0.2
172.95277	0.5
172.97441	0.4
172.98811	6.1
173.01089	0.3
173.02635	0.3
173.98442	1.6
174.00713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93831	4.6
55.01862	0.8
55.05493	1.0
55.93526	1.9
55.94382	0.4
55.94612	4.1
56.94276	0.5
56.96307	0.5
56.96560	6.8
57.03424	0.8
57.09501	0.3
58.99850	1.2
60.08169	0.6
60.25837	0.4
60.41418	0.4
61.02892	0.4
64.10770	0.4
65.03918	0.9
67.05483	1.2
69.03409	1.2
69.96170	29.0
70.06568	1.0
70.95857	12.3
70.99851	0.4
71.09134	1.0
71.93002	0.7
71.94091	14.1
72.93783	36.9
73.02908	1.2
73.95646	1.6
74.96625	0.4
77.00899	1.1
79.84232	0.4
81.03401	1.7
81.04518	0.5
81.07051	0.7
82.01434	0.6
82.06589	0.5
83.04981	2.4
83.06105	0.9
84.01536	0.4
85.02878	1.0
85.95642	1.7
87.97202	1.4
88.96902	3.4
89.00851	0.7
89.95131	3.5
90.94816	9.3
91.05482	0.6
93.03397	0.5
93.04530	0.9
95.02524	0.4
95.04964	1.1
95.06071	3.6
96.04488	0.8
96.05776	0.4
96.06414	1.3
97.02863	0.6
97.07642	1.7
97.99150	0.6
98.97586	1.9
99.04437	1.6
100.02468	5.8
101.00882	4.8
101.95138	0.8
102.97762	0.4
103.02423	0.9
103.96671	1.3
107.96127	0.7
108.95857	1.3
109.02864	2.3
109.06512	0.4
110.07159	7.6
110.09669	0.5
110.97537	0.6
110.98782	1.1
111.04440	1.8
111.98476	4.6
112.07533	0.4
112.09957	0.5
112.96684	1.2
113.00871	3.5
113.06012	0.5
113.95155	2.0
113.96383	12.7
114.04004	0.6
116.60761	0.4
116.98614	1.3
118.01150	0.5
118.03512	3.7
119.01907	21.3
120.05318	0.4
121.03490	0.7
121.97701	0.8
127.03903	3.4
127.07510	0.4
129.99490	2.6
130.06258	0.5
131.01895	31.0
131.96135	59.2
131.97391	9.7
132.01935	3.1
132.05049	1.7
132.95811	13.5
132.96765	0.7
133.01660	0.6
133.03448	1.7
137.02974	5.4
137.10724	0.7
138.06334	1.8
138.09122	0.5
142.03496	5.6
144.06044	0.7
145.03467	0.6
146.99719	0.6
149.01161	0.7
149.02945	8.9
149.97185	100.0
150.06102	1.1
150.96863	26.7
151.04457	0.7
151.97559	0.6
153.00967	0.5
154.03490	1.8
154.13361	0.6
154.97731	4.5
154.98938	0.5
155.02065	2.3
155.03421	2.3
155.07092	2.5
155.08199	0.7
155.11752	2.1
155.13770	0.9
155.97418	1.2
156.05217	0.5
156.07690	0.6
160.04538	1.7
163.98732	0.7
167.98245	10.7
168.97969	1.1
172.98805	6.8
173.01425	0.7
173.02937	4.4
173.98463	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53765	0.3
53.15825	0.3
54.93835	3.7
56.96560	6.4
61.41138	0.3
67.01855	0.3
69.96171	37.6
70.19796	1.5
70.95859	0.6
71.94093	16.3
72.04505	0.7
72.93781	1.1
79.01811	0.3
80.01217	0.5
80.51015	0.6
82.01408	0.4
83.04974	0.6
84.85291	0.3
85.56545	0.3
87.97205	1.3
88.51684	2.3
89.01734	4.1
89.51565	4.5
89.95122	1.0
90.01633	0.5
90.16136	0.3
91.05476	0.4
97.52197	0.5
98.02220	0.4
98.21439	0.3
99.04456	0.3
100.02482	1.0
100.52538	1.1
101.00900	0.6
101.02361	1.0
101.52496	0.3
103.02434	0.3
108.98002	0.4
110.98758	1.1
111.04453	0.4
112.96661	0.3
113.00892	0.5
113.95065	3.0
113.98650	0.9
114.04005	0.7
115.05456	0.3
116.98616	0.4
117.06989	1.2
117.98581	0.8
118.03566	0.4
119.01904	2.2
119.98991	0.4
120.48870	0.9
121.03481	0.4
125.99199	1.2
126.49259	2.1
126.99094	2.8
127.03934	0.5
128.06178	0.3
128.49463	0.4
128.99539	4.2
129.07007	0.7
129.49344	4.2
129.99435	0.8
130.06259	2.3
131.01897	3.2
131.49901	0.3
131.96136	66.3
131.99623	2.8
132.02007	0.5
132.05052	8.5
132.95706	0.5
132.96591	0.6
133.03461	1.1
136.93135	0.5
137.03009	0.4
137.49998	3.9
138.00041	14.1
138.49873	18.4
138.99883	2.4
139.06769	1.3
139.49701	0.8
140.00247	0.4
140.50331	2.5
141.00150	3.4
141.50180	0.5
142.03442	0.4
142.07771	0.8
143.05444	0.7
143.08557	1.2
144.05978	1.2
147.00534	0.5
147.03758	0.4
149.00829	0.8
149.02893	0.4
149.50854	7.2
149.97189	100.0
150.00648	12.3
150.06100	5.2
150.50740	1.5
150.97615	0.5
151.00526	0.3
153.06525	0.7
154.94170	0.8
154.97713	3.3
155.03453	0.4
155.06915	0.6
157.10072	0.4
161.01598	0.4
161.06566	0.6
161.51433	0.7
163.98732	0.3
167.08620	0.4
167.98256	8.3
172.95235	0.7
172.98801	5.8
173.02878	0.4
174.06142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0544
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
53.03934	0.6
55.01856	0.6
55.05246	0.5
55.05506	7.1
57.03401	0.3
59.55859	0.2
64.53638	0.3
65.03934	2.8
67.05498	0.5
68.05006	0.3
69.03411	0.5
69.07044	0.7
70.94246	1.6
71.30247	0.3
71.30599	0.6
71.94089	2.3
71.95229	0.4
79.01836	0.3
79.05475	1.1
81.07037	0.6
83.04520	0.5
83.04976	6.5
83.08589	0.3
87.76865	0.3
88.95330	0.3
88.96861	0.4
89.44547	0.3
93.03390	1.0
93.07023	1.0
95.04942	0.7
95.08579	0.5
97.06510	1.1
99.99628	0.3
104.97022	0.3
107.04958	1.0
107.08573	1.3
109.10146	0.7
110.03651	0.5
110.06171	0.3
111.04433	100.0
111.96865	1.1
112.04751	2.7
112.96707	1.0
125.02285	0.3
125.05986	1.6
125.09658	0.3
129.97896	0.8
130.97746	0.6
135.04413	0.4
143.03438	0.5
153.01874	1.5
153.04247	0.4
153.05461	1.3
153.06647	0.5
153.09082	1.0
153.12737	1.0
154.04933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
54.03472	0.4
55.01863	0.6
55.05505	6.0
55.93521	0.4
56.05039	1.9
56.96566	0.4
57.03422	0.4
57.07071	0.8
58.06588	0.4
58.38078	0.2
59.06117	0.4
65.03928	0.9
66.04266	0.4
67.05509	2.2
68.05028	1.9
68.96330	2.4
68.99743	0.4
69.03416	1.8
69.04556	0.7
69.07063	0.6
69.96167	1.6
70.03760	0.3
70.06587	1.5
70.94258	2.1
71.01338	0.4
71.04984	0.5
71.70109	0.5
71.94099	10.8
72.04530	0.4
72.08139	0.6
72.93785	60.3
79.01850	0.5
79.05481	2.2
80.02187	0.4
80.05018	0.7
80.05823	0.5
81.03422	1.8
81.04533	0.8
81.07050	7.7
82.06575	1.9
82.07385	0.4
83.04977	2.4
83.06106	0.9
83.08598	1.5
84.04488	0.8
84.05289	0.7
84.08138	0.8
85.02897	0.3
86.06071	0.4
86.97369	0.7
87.04458	0.7
87.42328	0.3
88.95289	0.7
89.95136	0.9
90.94822	18.3
91.05454	1.4
92.05804	0.4
93.05800	0.4
93.07052	0.6
94.06569	0.7
94.07377	0.7
94.65079	0.3
95.04981	2.4
95.06093	2.0
95.08614	1.0
96.04497	1.1
96.05618	0.6
96.08154	0.7
97.05256	2.7
97.06518	0.5
97.07613	0.7
98.06055	2.8
98.07176	0.4
98.09694	2.4
98.98463	0.4
99.04459	0.7
99.09204	0.5
108.05556	0.3
108.08123	2.7
108.08930	1.3
108.95856	3.4
109.02884	2.4
109.06518	6.1
109.07625	2.6
109.08355	0.5
109.10137	1.7
109.98907	0.9
110.06042	5.1
110.06768	0.5
110.07163	0.4
111.04443	2.0
111.06836	4.4
111.08036	0.6
111.09205	1.6
111.96833	0.3
112.04800	0.9
112.08605	1.2
112.96707	2.8
113.06003	1.1
113.07137	0.8
113.08273	0.4
113.96394	29.9
121.06484	1.2
123.04424	0.7
124.05232	0.4
124.07616	0.6
124.08641	0.3
125.08358	0.8
126.05485	0.7
126.06331	0.6
126.09151	3.3
126.09986	1.1
127.03931	3.2
127.04874	0.5
127.07578	0.6
130.96313	1.8
130.97731	2.3
131.96198	2.9
131.97427	31.4
136.03946	0.6
136.04926	0.3
136.07574	1.5
136.08630	1.1
137.02310	0.6
137.05933	1.1
137.07104	1.3
137.10695	0.7
138.03123	0.3
138.05476	0.8
139.06288	4.8
139.07535	7.0
140.04604	0.4
144.03716	0.5
148.97342	5.2
149.97197	9.2
149.98389	0.8
152.07088	0.7
154.02205	2.8
154.05193	1.9
154.08621	100.0
154.97807	0.6
154.99005	3.6
155.03406	2.3
155.07085	3.7
155.08994	4.1
155.10312	0.4
155.12910	0.6
155.37950	0.3
167.98270	0.8
171.98904	0.5
172.98822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0544
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
52.35905	0.2
53.03271	0.1
53.03933	0.4
55.01869	0.4
55.05507	7.3
56.05830	0.2
65.03944	1.2
69.03421	0.3
69.07070	0.3
70.44853	0.2
70.94273	0.9
71.31797	0.2
71.32125	0.3
71.94096	1.0
72.85377	0.1
79.01843	0.4
79.05486	0.5
81.07033	0.2
83.04974	6.5
84.05290	0.2
88.95339	0.2
91.05470	0.2
93.03401	0.3
93.07018	0.4
95.04945	0.2
97.06519	0.4
107.04953	0.4
107.08609	0.5
109.10143	0.2
110.03608	0.2
111.04434	100.0
111.96844	0.3
112.04757	1.9
112.96704	0.7
125.02354	0.5
125.06013	0.7
126.05562	0.2
129.97935	0.2
130.97659	0.2
135.04401	0.2
135.08044	0.2
135.11664	0.4
136.07576	0.2
153.01833	0.9
153.05507	0.8
153.06612	0.1
153.07188	0.2
153.09097	0.3
153.12744	0.5
154.05019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01857	0.3
55.05507	7.4
62.88097	0.2
65.03941	1.6
65.22469	0.2
67.05489	0.2
67.87242	0.2
70.81608	0.6
70.94237	0.7
70.94579	0.2
71.94093	0.9
71.95274	0.2
79.01837	0.2
79.05473	0.5
81.07043	0.2
83.01405	0.2
83.04975	6.9
93.03397	0.5
93.07027	0.4
95.04959	0.2
96.94708	0.2
97.02894	0.2
97.06506	0.3
99.40154	0.2
101.13110	0.2
107.04939	0.3
107.08607	0.4
110.03658	0.2
111.04434	100.0
111.96885	0.3
112.04765	2.6
112.08654	0.2
112.96676	0.4
125.02346	0.3
125.06005	0.8
129.97916	0.4
135.08000	0.2
153.01857	0.6
153.05466	0.7
153.06584	0.2
153.09105	0.4
153.12756	0.3
154.02531	0.2
154.05051	0.2
160.22414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0544
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
53.03933	0.5
55.01863	0.6
55.05249	0.4
55.05506	7.5
56.96547	0.3
65.03934	2.6
66.38093	0.2
67.05499	0.6
68.99773	0.3
69.03429	0.4
69.07043	0.4
70.34772	0.2
70.94257	2.1
71.04988	0.3
71.69910	0.3
71.94082	1.4
71.95244	0.2
79.01832	0.4
79.05502	1.1
81.03407	0.3
81.07056	0.6
83.04977	7.6
88.95317	0.7
91.05470	0.4
93.03412	1.0
93.07040	1.2
95.04947	0.4
95.08596	0.4
97.02877	0.3
97.06521	1.1
107.01286	0.3
107.04972	0.7
107.08588	1.0
108.58069	0.2
109.06504	0.3
109.10145	0.6
110.03595	0.3
111.04436	100.0
111.96873	0.9
112.04785	2.8
112.96705	0.6
125.02348	0.4
125.05993	1.9
125.09602	0.3
126.05578	0.4
129.97914	0.9
135.04413	0.5
135.08075	0.3
135.11694	0.3
136.07553	0.3
143.03374	0.3
153.01846	1.3
153.05466	1.3
153.06754	0.4
153.09138	0.8
153.12735	1.4
154.04974	0.8
162.54083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
53.03933	0.6
53.41424	0.1
55.01855	0.6
55.05508	8.7
65.03938	2.4
67.05489	0.6
69.03430	0.5
69.07059	0.6
70.06574	0.2
70.94260	1.9
70.95860	0.4
71.69999	0.2
71.94110	0.9
71.95247	0.4
79.01852	0.6
79.05473	1.0
81.03393	0.3
81.07052	0.5
83.04977	8.8
83.08586	0.2
88.95290	0.7
88.96928	0.2
89.95156	0.2
91.05481	0.4
93.03418	0.8
93.07032	0.5
93.07605	0.2
95.04974	0.4
95.08612	0.4
97.02908	0.3
97.06515	0.9
101.03050	0.2
107.01326	0.2
107.04955	0.7
107.08619	0.8
109.06525	0.3
109.10155	0.3
110.03664	0.4
111.04439	100.0
111.96856	0.9
112.04063	0.3
112.04768	2.4
112.08707	0.2
112.96706	0.5
119.23399	0.2
125.02371	0.3
125.06000	1.5
125.09615	0.2
129.97891	0.9
130.97749	0.4
134.05885	0.2
135.04404	0.2
135.08063	0.3
135.11702	0.3
143.03394	0.5
153.01781	1.2
153.05470	1.1
153.06818	0.3
153.09102	0.9
153.12758	0.6
154.04962	0.5
154.45412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97316	0.2
53.03928	0.6
53.33906	0.2
55.01867	0.6
55.05244	0.4
55.05507	7.2
56.50917	0.2
65.03938	1.9
66.92812	0.2
67.05487	0.5
69.03409	0.4
69.07050	0.7
70.04803	1.3
70.65516	0.2
70.94261	1.6
71.04981	0.4
71.94094	2.7
71.95244	0.2
73.63493	0.2
75.47706	0.2
77.03902	0.2
79.01846	1.0
79.05477	0.8
79.53493	0.2
81.07047	0.6
83.04973	6.7
88.95326	0.3
91.05469	0.3
93.03395	0.7
93.07030	1.0
95.04942	0.5
95.08598	0.4
97.02855	0.4
97.06514	1.2
107.04952	0.7
107.08582	1.2
107.23707	0.2
109.06487	0.3
109.10114	0.4
111.04432	100.0
111.08049	0.7
111.96853	1.0
112.04771	2.8
112.18124	0.2
112.96697	0.8
125.06036	1.1
129.97884	0.6
130.58926	0.2
130.97748	0.6
135.04401	0.4
135.08072	0.4
135.11673	0.3
136.07526	0.4
141.82458	0.3
143.03412	0.7
148.69164	0.2
153.01869	1.3
153.02878	0.3
153.05450	0.7
153.06699	0.4
153.09084	0.8
153.12761	1.0
154.04977	0.4
158.74597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.6
51.02376	5.3
53.00295	0.5
54.32883	0.2
55.01852	1.0
55.05510	0.4
57.21526	0.2
65.03933	1.2
68.99800	0.6
69.03432	2.4
69.78937	0.8
69.79374	0.8
70.06600	0.4
70.94247	1.7
70.95811	0.3
71.94090	1.1
72.08153	0.2
72.28866	0.2
79.01849	55.7
79.05492	0.7
80.02164	1.3
81.07064	0.3
83.04990	0.4
87.00822	0.7
91.05449	0.2
93.03402	0.8
93.07065	0.5
95.01336	0.7
95.04922	0.2
97.02887	9.4
97.06529	0.5
98.20697	0.3
107.01312	12.6
107.04938	0.4
107.08591	0.4
107.14516	0.2
108.01597	0.3
109.10136	0.3
111.04433	2.5
111.96857	0.9
112.08727	0.5
112.96679	0.3
113.05888	0.3
121.02855	0.6
123.00775	1.8
125.02346	21.7
125.05990	0.6
126.02622	0.3
129.97882	0.5
130.96268	0.3
132.25414	0.2
136.07625	0.2
143.03389	45.9
144.03700	1.2
148.97342	0.6
153.01826	100.0
153.02954	15.9
153.11293	0.7
153.12746	0.6
154.02139	3.4
154.03244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.2
51.02379	5.0
53.00284	0.6
53.03931	1.3
54.03467	0.6
55.01864	2.6
55.05503	3.8
56.05025	0.5
57.03405	0.9
57.07066	0.5
59.04990	1.0
65.03935	12.6
67.05498	3.2
68.05006	1.6
68.96322	1.6
68.99780	0.8
69.03425	3.9
69.04540	1.1
69.07050	3.8
70.02923	0.5
70.05001	1.7
70.06571	1.7
70.94253	10.3
70.95856	2.3
71.04979	1.6
71.06086	0.4
71.93703	0.9
71.94095	10.2
72.08141	1.5
73.06556	0.6
79.01848	45.7
79.05484	7.2
79.08929	0.5
80.02187	1.1
80.04996	0.5
81.03392	0.5
81.04530	1.1
81.07043	5.7
82.06543	0.8
83.04967	6.0
83.06091	0.9
83.08595	0.6
83.13276	0.5
84.05583	0.5
84.08135	0.8
85.07641	0.6
86.97360	0.8
88.95287	3.6
88.96910	1.1
89.95138	0.7
91.05474	2.5
93.03400	4.2
93.07040	7.6
94.04169	0.6
94.06558	0.7
95.04967	3.6
95.06068	2.2
95.08613	2.7
97.02887	9.1
97.03980	0.7
97.06522	5.2
97.07636	0.7
98.07183	0.6
98.21527	0.5
99.05513	0.6
105.07024	0.9
106.96360	0.7
107.01312	9.2
107.04946	3.8
107.07931	0.8
107.08591	8.7
107.99371	0.5
108.04475	0.7
108.05636	1.0
108.08107	0.5
109.06492	2.4
109.07616	2.1
109.10128	5.8
109.98913	0.6
110.03653	2.9
110.07111	1.1
111.04434	27.3
111.08057	2.8
111.09219	1.4
111.96864	5.0
112.04828	0.6
112.08737	3.8
112.96700	4.1
113.05831	2.4
119.06011	0.4
121.02830	0.5
123.00790	1.8
123.04417	1.0
124.08661	0.5
125.02348	18.7
125.04987	2.2
125.05993	11.3
125.06931	0.9
125.09606	0.9
126.06622	0.6
126.10276	1.7
127.99932	0.7
129.97917	4.8
130.96333	2.1
130.97675	2.5
134.06026	0.7
135.04422	2.7
135.08089	2.4
135.11682	3.2
136.05067	0.5
136.07539	1.4
136.08707	2.0
138.03122	0.7
143.03387	40.4
144.03732	1.2
148.97353	5.1
153.01826	100.0
153.02953	14.7
153.05426	10.1
153.06699	1.1
153.09074	2.9
153.10184	0.9
153.11359	8.0
153.12718	2.7
153.97948	0.7
154.02170	2.7
154.04936	2.3
154.08588	0.6
154.09723	1.2
171.98990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.7
51.02376	4.9
51.58213	0.3
53.00303	0.5
55.01868	1.1
65.03932	0.5
66.82131	0.2
69.03425	1.7
70.41692	1.0
79.01849	51.9
80.02182	1.4
81.55707	0.3
87.00820	0.7
88.20463	0.3
93.03402	0.5
93.07037	0.3
95.01330	0.5
97.02883	9.5
107.01308	10.4
107.08565	0.3
111.04423	0.9
112.53592	0.2
123.00772	1.7
125.02340	19.3
126.02631	0.5
143.03386	43.2
144.03746	1.5
153.01823	100.0
153.02948	15.7
154.02156	2.9
154.03253	0.6
166.05080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.3
51.02373	4.5
53.00293	0.4
53.03910	0.3
55.01860	1.2
55.05502	1.1
62.76759	0.3
65.03940	5.5
67.05499	1.3
68.05007	0.5
68.99791	0.8
69.03419	2.3
69.07066	1.5
69.67504	2.7
70.06594	0.7
70.94248	4.9
70.95871	0.7
71.94093	4.3
71.95236	0.4
79.01846	47.2
79.05487	2.3
80.02179	0.7
81.07053	1.2
82.23486	0.3
83.04968	2.5
87.00838	0.6
88.95291	1.6
90.94834	0.4
91.05476	1.1
93.03403	2.2
93.07008	2.0
95.01329	0.5
95.04973	1.5
95.06049	0.3
95.08604	0.6
97.02881	8.4
97.06527	1.9
107.01305	11.9
107.04949	2.0
107.08579	2.8
109.06485	0.8
109.10162	1.1
110.03663	1.3
110.07155	0.7
111.04431	11.4
111.05585	0.6
111.08057	1.2
111.09167	0.5
111.96851	2.2
112.08710	0.9
112.96697	1.8
123.00751	1.6
125.02341	20.5
125.05968	4.4
125.09618	0.7
126.02706	0.7
126.05587	0.4
129.97876	2.0
130.96364	0.4
130.97748	0.9
135.04376	0.9
135.07976	0.4
135.11627	0.7
136.07550	0.5
136.08643	0.4
143.03383	42.1
144.03716	1.6
148.97345	1.0
153.01822	100.0
153.02942	15.6
153.05276	2.8
153.09027	1.8
153.11345	1.6
153.12758	0.9
154.02136	3.6
154.03313	0.6
154.04945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.7
51.02379	5.9
53.00303	0.6
53.03950	0.5
55.01865	1.4
55.05497	1.6
55.39248	0.3
56.05045	0.5
56.96564	0.9
57.03437	0.5
59.04987	0.7
65.03936	9.7
67.05485	1.9
68.05019	0.4
68.96329	0.5
68.99793	1.1
69.03429	3.1
69.07070	1.7
69.79119	0.9
69.79526	2.0
70.06580	1.1
70.94256	7.6
70.95861	1.2
71.04970	0.6
71.94098	34.8
72.08174	0.4
79.01850	51.5
79.05484	3.4
80.02186	1.1
81.03425	0.5
81.04533	0.4
81.07056	3.0
82.06585	0.5
83.04988	3.3
83.06079	0.7
84.08130	0.6
85.07671	0.3
87.00829	0.7
88.95311	2.1
88.96896	0.6
89.95132	3.3
91.05464	2.0
93.03403	3.9
93.07043	3.3
95.01292	0.6
95.04969	1.9
95.06090	1.2
95.08603	1.5
97.02893	8.2
97.06533	2.8
97.07612	0.4
98.20835	0.7
105.07046	0.5
106.96315	0.5
107.01318	9.7
107.04950	2.6
107.08590	4.1
108.01651	0.4
109.06516	1.5
109.07661	1.1
109.10159	1.3
109.98904	0.4
110.03680	1.9
110.07188	1.2
111.04438	18.0
111.08041	2.3
111.09222	0.8
111.96858	3.8
112.04785	0.7
112.08701	2.3
112.96712	12.1
113.05898	0.6
123.00774	2.4
125.02347	20.4
125.05978	7.0
125.09608	1.2
126.02656	0.7
126.05498	0.5
126.10328	0.4
129.97906	3.7
130.97742	8.6
134.06056	0.5
135.04436	1.0
135.08040	1.2
135.11697	1.3
136.07605	0.8
136.08693	1.0
143.03392	45.0
144.03726	1.3
148.97345	1.8
148.98761	0.5
153.01830	100.0
153.02960	15.9
153.05460	3.7
153.09099	2.0
153.10184	0.7
153.11348	4.3
153.12726	1.4
153.99367	1.0
154.02161	3.3
154.03252	0.4
154.04987	1.3
154.08623	0.7
154.09747	0.8
158.92480	0.3
174.18683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.7
50.51650	0.2
50.56057	0.4
51.02374	4.7
55.01863	1.4
55.05497	0.6
65.03934	4.5
67.05505	0.9
68.99789	0.6
69.03422	2.8
69.07059	0.6
70.06604	0.3
70.20804	0.9
70.21218	0.3
70.94247	2.5
70.95838	0.3
71.04994	0.2
71.14806	0.3
71.94094	11.3
79.01847	54.4
79.05496	0.8
80.02177	1.0
81.07054	0.7
83.04984	1.0
87.00826	0.5
88.95278	0.7
89.24498	0.3
89.95129	0.9
93.03394	1.7
93.07040	1.0
95.01337	0.4
95.04980	1.1
95.06100	0.3
95.08574	0.4
97.02884	9.5
97.03480	0.5
97.06529	1.1
98.20840	0.4
107.01308	12.0
107.04976	0.8
107.08602	1.2
109.06547	0.5
109.10145	0.7
110.03646	0.7
110.07156	0.3
111.04433	7.8
111.05163	0.4
111.08026	0.8
111.09219	0.4
111.96867	1.6
112.08714	0.5
112.96688	4.1
112.97396	0.4
113.05882	0.4
116.50724	0.3
123.00759	1.7
125.02341	21.2
125.05957	2.7
126.02710	0.5
129.97929	1.4
130.96291	0.4
130.97717	2.5
135.04446	0.5
135.11751	0.3
136.08696	0.5
143.03387	45.4
144.03732	1.1
148.97394	0.6
153.01825	100.0
153.02957	16.8
153.05452	1.4
153.09116	1.0
153.11359	1.9
153.12737	0.8
153.93831	0.2
153.99290	0.3
154.02144	4.1
154.03256	0.5
154.05031	0.4
154.08586	0.4
154.09749	0.4
163.82893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.5
51.02375	1.3
53.01427	0.2
55.01866	0.2
55.02983	0.5
56.96555	1.8
57.03426	0.2
58.86778	0.2
65.03931	0.5
68.05016	0.2
69.03419	0.6
70.01343	0.5
70.01781	0.7
70.06597	0.2
78.60743	0.2
79.01847	12.2
79.05474	0.3
80.02483	0.2
82.04049	0.6
83.00739	0.2
83.06097	0.2
87.00815	0.2
89.83654	0.1
91.02451	0.2
91.37972	0.1
93.03374	0.3
95.04932	0.2
96.08096	0.2
97.02889	2.0
98.97586	0.4
106.06504	0.2
107.01305	4.1
107.03551	0.6
107.04942	0.2
109.05104	1.9
109.07619	0.3
110.03516	11.8
110.06019	0.4
110.97550	0.5
111.04454	0.5
115.02411	0.2
119.01914	0.3
123.00792	0.4
124.07610	0.2
125.02341	4.8
125.05941	0.3
128.04552	5.9
128.98593	1.1
133.03453	0.2
134.04602	1.3
134.06010	1.6
135.03008	17.9
135.09145	0.2
136.01419	0.8
136.03343	0.3
143.03380	9.2
146.99640	0.7
151.78647	0.2
152.05667	100.0
153.01860	19.9
153.02977	2.7
153.04042	37.2
153.05869	1.4
153.30888	0.2
154.02501	1.0
154.04387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.2
51.02382	4.3
53.00286	1.5
53.03925	3.1
54.03456	1.1
55.01866	1.8
55.05509	4.6
56.05020	3.3
56.96554	1.3
57.07069	0.9
65.03931	12.2
66.04282	0.8
67.05495	11.5
68.05019	14.0
68.05808	1.0
68.99755	1.2
69.03418	15.7
69.04535	1.0
69.07056	6.3
70.06584	11.1
70.94255	9.7
70.95832	1.2
71.04948	0.7
71.71120	1.3
79.01846	45.2
79.05486	7.2
80.04999	4.1
81.03396	1.1
81.04543	1.8
81.05794	0.8
81.07039	4.9
82.06567	13.4
82.07358	1.0
83.04964	4.3
83.06081	3.1
83.08611	1.1
84.04489	6.9
84.08135	7.6
84.77160	0.7
86.06041	1.3
88.95269	3.1
88.96887	0.7
91.05468	2.8
92.05000	2.7
93.03400	2.5
93.04530	0.8
93.07038	3.9
94.06540	3.6
94.07388	1.3
95.04955	6.2
95.06061	3.8
95.08596	2.6
96.04485	18.8
96.08098	4.8
97.02885	9.6
97.06509	2.8
97.07659	4.7
105.06931	0.6
106.06541	2.9
106.07314	1.9
106.96327	0.9
107.01300	12.0
107.04947	5.9
107.06089	1.0
107.08582	5.7
108.04464	2.3
108.08112	1.7
109.06509	2.7
109.07621	7.0
109.10165	5.3
110.03626	2.2
110.06031	9.4
110.07189	3.6
110.09686	1.7
110.10441	0.8
111.04431	22.6
111.05592	1.7
111.07994	2.1
111.09176	4.1
111.96859	6.5
112.06363	1.0
112.08773	1.7
112.09979	1.5
113.05877	0.9
117.06995	0.7
121.02815	0.7
123.00759	1.6
124.02228	1.1
124.03932	1.7
124.04744	0.8
124.07572	2.7
124.08488	1.2
124.11228	10.0
124.69275	0.7
125.02345	20.1
125.05977	9.0
125.06982	1.2
125.10730	1.1
129.97879	6.4
134.06012	2.6
134.07085	1.7
134.09622	11.6
135.04382	3.3
135.05438	1.2
135.08038	3.7
135.09161	2.8
135.11658	1.2
143.03380	41.0
152.01648	6.4
152.03404	1.6
152.04518	0.7
152.07057	7.2
152.08133	3.6
152.10686	44.0
152.11774	5.3
153.01816	100.0
153.02946	13.9
153.05417	5.6
153.06625	1.1
153.09055	3.2
153.10243	1.3
153.11319	5.8
153.12708	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	151.148
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
52.72490	0.3
53.03940	1.3
55.05505	6.2
56.96565	0.6
57.03433	0.6
57.07066	0.8
62.72787	0.4
64.95333	0.3
65.03927	2.2
67.05496	86.4
68.05022	0.5
68.05823	2.2
69.03428	0.5
69.07057	4.5
69.48532	3.3
71.08604	0.4
75.11202	0.3
79.05485	5.5
80.06262	0.4
81.07046	47.4
82.06563	0.8
82.07404	1.9
83.08624	1.1
91.05468	1.8
93.07037	5.1
95.04958	2.3
95.08594	100.0
96.04478	0.9
96.08929	3.9
98.21465	0.8
98.97549	0.6
102.33051	0.4
105.03430	0.4
105.07021	2.7
106.06516	0.3
107.04996	0.5
107.08599	1.8
109.06517	1.2
109.10143	50.3
110.06064	0.4
110.10464	2.3
121.41690	0.3
123.04435	1.2
123.08066	1.6
123.11697	1.1
124.07505	0.4
133.06497	0.5
133.10132	0.7
134.05984	0.6
151.02925	0.7
151.03888	2.1
151.07535	2.1
151.11163	2.0
151.14806	8.4
152.01599	1.0
152.07037	1.4
152.08125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.148
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03938	1.4
55.05502	5.6
57.03424	0.9
57.07072	14.8
57.07358	0.8
59.05001	1.0
65.03925	1.8
65.36929	0.5
67.05499	38.8
68.05019	0.8
68.05829	0.9
69.03429	1.1
69.07064	10.8
69.60126	3.1
69.60549	1.4
71.08627	6.2
79.05482	7.3
81.03429	0.5
81.07052	40.7
82.07384	1.4
83.04983	0.7
83.06082	0.6
83.08614	2.3
91.05470	5.1
93.07045	6.2
93.44130	0.6
95.04961	4.2
95.08599	100.0
96.04490	0.6
96.08916	3.7
98.20757	1.0
105.07027	7.4
106.07384	0.6
107.04957	1.1
107.08590	6.8
108.05737	0.9
108.09438	0.8
109.06514	9.1
109.10147	77.9
110.07124	1.6
110.10463	2.7
111.04427	1.1
111.07944	2.3
119.04958	1.0
121.06487	1.1
121.10127	1.7
122.07243	0.8
123.04420	3.4
123.08068	9.4
123.11698	8.0
124.07591	0.7
124.08549	0.6
131.08507	0.5
133.10098	2.8
135.08075	1.4
136.08830	7.8
136.69427	0.5
151.02812	1.1
151.03896	3.0
151.07506	1.6
151.11171	74.9
151.14803	15.5
152.01631	1.0
152.03270	0.7
152.07065	1.2
152.11568	4.8
152.15131	1.4
152.54668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	guanine
Peak:m/z	Relative Intensity
50.01589	0.3
51.02369	1.0
51.95510	0.1
55.01862	0.3
55.02979	0.7
56.96559	1.5
65.03938	0.2
69.03411	0.5
70.07291	1.0
79.01843	10.4
79.05493	0.3
80.02499	0.3
82.04047	0.6
84.71702	0.2
91.02537	0.2
92.05007	0.2
96.04463	0.2
96.62890	0.2
97.02881	2.1
98.20850	0.3
98.97552	0.4
99.25005	0.2
102.30033	0.2
106.06519	0.2
107.01307	3.5
107.03554	0.5
107.04945	0.3
107.99442	0.2
109.05111	2.3
110.03513	12.9
110.05999	0.3
110.97561	0.5
111.04456	0.3
116.98621	0.2
119.01917	0.3
123.00743	0.4
125.02337	5.0
125.06007	0.2
128.04549	5.7
128.98593	0.7
133.03448	0.3
134.04593	1.6
134.06050	1.1
135.03004	18.5
136.01392	0.7
136.03374	0.2
140.04935	0.2
143.03381	9.3
146.99634	0.6
147.04982	0.2
152.05661	100.0
153.01849	21.8
153.03011	2.2
153.04042	35.7
153.05051	0.8
153.05890	2.0
154.02469	0.9
154.04399	0.6
171.05173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0388
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.03938	0.4
54.31812	0.2
55.01861	1.4
60.35792	0.2
65.03926	0.9
67.05499	7.2
68.99790	0.4
70.15388	0.2
71.22746	0.2
71.23093	0.4
79.05479	0.2
81.07011	0.3
83.04977	0.3
83.06104	0.2
86.33677	0.2
91.05466	0.3
93.07034	0.3
95.04960	12.1
95.08581	0.4
96.05254	0.4
105.07032	0.3
110.07140	0.3
111.04417	0.2
111.07970	1.0
112.63587	0.2
123.04416	100.0
124.03900	0.3
124.04755	4.1
139.79485	0.2
151.03891	27.9
151.09824	0.5
151.11047	0.3
152.04224	1.1
155.18535	0.2
164.67561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0388
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.46960	0.3
51.02370	0.5
53.03949	1.7
55.01872	1.5
64.73963	0.3
65.03635	0.3
65.03940	2.1
67.05499	9.1
68.05016	1.1
68.99779	0.7
70.76663	0.5
70.77015	0.8
75.05598	0.3
77.03935	1.6
79.05488	1.2
81.03419	0.7
81.04547	0.4
81.07039	1.1
82.06579	0.6
83.04976	0.5
83.06099	0.9
91.05475	0.9
93.07034	0.8
94.06554	0.3
95.04961	14.3
95.08582	1.0
96.04469	0.3
96.05291	0.4
96.08139	0.4
97.07644	0.8
105.03388	3.5
105.04476	0.5
105.07021	2.0
107.04956	0.3
107.08629	0.7
109.06493	0.9
109.07629	1.2
109.10146	0.5
110.07194	1.4
111.04413	1.0
111.07982	2.1
111.08650	0.5
119.04881	0.3
123.04420	100.0
123.07976	1.5
123.11720	0.4
124.04753	3.0
124.08667	0.9
133.02841	16.4
133.06468	0.6
133.10130	0.7
134.03165	0.8
134.07121	0.5
136.05180	0.3
151.03896	29.5
151.07440	1.7
151.08604	0.4
151.09758	1.2
151.11122	1.0
152.01534	0.3
152.04243	1.3
152.07027	0.6
152.08144	0.4
152.11835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.40956	1.5
53.03939	3.3
55.01863	2.7
55.05498	2.7
56.68352	1.2
65.03938	30.1
66.04260	1.4
69.03410	2.9
71.06997	2.9
79.05486	22.4
81.07047	3.1
91.05474	44.9
92.05801	2.2
93.03393	5.6
93.07036	38.5
95.04961	7.7
103.05445	12.0
105.07021	46.9
106.07853	6.2
107.08579	2.9
109.06501	3.0
111.04436	6.5
115.05437	5.0
116.06226	17.8
119.08572	7.8
121.02853	30.5
121.03976	5.4
121.06516	11.7
121.10137	34.0
122.10455	1.8
123.08058	6.2
127.56121	1.3
129.06998	4.3
131.08560	14.8
133.07584	3.7
134.07233	3.5
142.74837	1.3
143.88821	1.3
147.07994	1.3
149.01117	1.3
149.02333	46.5
149.09605	100.0
150.02612	3.2
150.09973	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	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10054	1.1
52.19039	1.1
53.03939	3.1
55.05513	11.1
60.22266	1.1
64.92804	2.6
65.03926	3.1
67.05480	5.5
69.07056	2.7
69.47914	9.1
73.75936	1.4
74.84594	1.1
75.85116	1.2
79.05482	12.5
81.07039	5.5
84.04508	1.5
91.05475	59.2
92.05805	2.7
93.07050	7.0
95.04957	2.8
100.49266	1.1
103.05458	3.2
105.07025	100.0
106.07337	5.4
107.08572	4.2
117.06999	12.8
119.04948	12.2
119.08575	78.6
120.08888	4.8
123.96455	4.6
129.06989	2.2
132.09349	4.3
145.10100	7.4
147.04466	6.9
147.05443	1.8
147.08081	2.0
147.09221	1.3
147.11684	40.5
148.12024	2.5
148.82109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0604
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
56.05032	5.5
56.96552	1.2
65.03941	3.2
65.45595	0.4
70.14832	1.0
70.15244	0.6
84.04497	100.0
85.02904	3.0
85.04369	0.4
85.04832	3.1
85.06551	0.4
87.15531	0.4
89.06964	0.3
89.40847	0.3
93.03396	0.8
94.69820	0.4
98.20811	0.6
102.05535	14.5
111.04438	0.5
121.02869	4.2
121.03943	0.9
125.94598	0.4
130.04988	6.8
131.05330	0.8
148.06053	0.8
149.02328	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	149.0596
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02370	1.8
53.03731	1.1
53.03943	16.8
55.01855	6.5
65.03937	40.6
71.27697	2.3
77.03904	1.9
78.86192	1.2
79.05464	2.6
81.03395	2.8
91.05471	40.6
92.05787	2.2
93.03410	8.0
93.07037	13.6
93.90668	1.0
95.04958	24.8
98.03674	1.4
99.25651	1.2
100.83001	1.0
103.05460	21.6
104.05768	1.1
104.34940	1.2
105.03391	1.7
105.04492	5.1
105.07034	1.4
107.04929	3.6
111.04431	9.6
118.06477	0.9
121.02853	40.6
121.03969	10.2
121.06496	100.0
122.06822	4.2
131.04950	1.9
134.03629	1.4
135.04518	0.9
149.02332	70.4
149.05937	12.8
150.02684	3.0
167.03348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.16336	1.0
52.80461	0.8
53.03938	2.2
55.05513	11.9
56.11675	0.8
59.05536	0.8
64.92794	2.5
65.03934	4.3
65.31564	0.9
66.94947	1.0
67.05501	8.1
69.07049	3.2
69.43390	10.2
79.05493	17.8
81.07061	5.7
84.04502	2.0
85.01135	1.0
91.05476	78.8
92.05804	3.7
93.07053	6.8
94.07361	0.9
95.04961	3.1
103.05464	5.7
104.06229	1.6
104.98295	4.1
105.07026	100.0
106.07318	4.8
107.08582	2.2
117.07010	10.2
119.04943	17.5
119.08573	70.4
120.05280	1.2
120.08907	3.4
123.96485	3.9
129.07040	2.2
131.08514	1.5
132.09320	2.5
145.10101	4.5
147.04396	8.3
147.05521	2.7
147.08150	1.9
147.09174	1.1
147.11678	36.1
148.03914	1.4
148.07538	1.0
148.12004	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	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19101	1.1
52.32684	1.3
53.03947	3.2
55.05505	11.0
60.77582	1.2
62.24382	0.9
62.36508	1.1
64.92798	2.7
65.03932	3.4
65.22346	1.2
67.05492	3.9
69.07053	1.5
70.14114	6.4
79.05481	12.1
81.07045	4.8
84.04486	1.5
91.05475	72.3
92.05796	2.2
93.07020	7.3
95.04970	2.7
103.05463	5.3
104.06265	1.2
105.07024	100.0
106.07349	3.4
107.08591	4.6
115.05403	1.5
116.92009	1.1
117.07001	13.8
119.04935	16.1
119.08575	79.8
120.04404	1.9
120.05235	1.3
120.08904	5.0
121.46854	1.5
123.96448	3.9
129.06975	1.8
132.09329	4.2
145.10107	5.2
147.04466	8.7
147.05508	2.1
147.08046	2.8
147.11676	41.5
148.12038	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03937	2.4
55.05252	0.6
55.05511	9.9
65.03941	1.6
65.51572	0.6
67.05498	9.2
69.07059	2.6
69.49603	1.9
69.50021	3.5
79.05039	0.9
79.05492	16.8
81.07053	5.9
91.05476	56.3
92.05809	1.8
93.07033	8.0
95.04953	2.6
103.05448	5.3
105.07024	100.0
106.07317	5.5
107.08581	2.1
115.05400	0.8
117.07009	7.2
119.04961	3.0
119.08575	51.2
120.08910	2.8
123.96405	1.0
129.06958	0.7
131.08484	0.8
132.09344	1.7
145.10126	3.6
147.04375	1.6
147.11676	30.2
148.12015	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.14635	0.7
65.03934	12.9
68.65985	0.6
71.28811	0.7
71.29152	1.5
78.36887	0.5
91.05473	100.0
92.05813	4.9
95.04996	0.6
99.68880	0.6
105.04579	0.7
105.07032	0.6
119.04933	97.7
120.05247	4.9
147.04401	33.0
147.11729	0.7
148.04712	2.2
167.52950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	10.6
70.29796	1.3
70.30195	1.4
75.02357	0.6
91.05471	100.0
92.05801	4.6
105.07021	1.6
110.30144	0.6
119.04931	97.6
119.08569	1.2
120.05269	6.1
147.04395	35.4
148.04727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03947	0.7
57.41428	0.6
65.03593	0.5
65.03935	10.9
71.22111	1.0
74.98909	0.6
83.46271	0.6
84.04494	3.3
86.34901	0.5
88.07673	0.6
91.05471	100.0
92.05807	3.5
95.04925	0.6
102.05589	0.7
105.07014	2.2
117.07018	0.8
119.04932	85.3
119.08547	3.4
120.04507	0.8
120.05257	4.2
121.07630	0.7
123.96429	0.8
129.06999	0.7
147.04396	31.5
147.08043	1.8
147.11642	0.7
148.04790	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	147.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	12.3
62.52484	2.9
65.03930	7.8
69.03426	2.9
69.91929	17.4
71.04991	41.5
72.63984	2.6
84.04496	17.9
85.02905	34.1
91.05479	100.0
95.48506	2.8
98.21391	6.0
105.07011	20.4
117.07017	5.5
119.04933	56.6
119.05758	5.5
119.08586	17.7
123.96449	5.3
144.15674	3.1
147.04399	32.7
147.05492	4.4
147.08020	10.9
147.09143	4.9
147.11687	7.1
148.03905	7.0
148.07561	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02374	0.6
51.83384	0.6
65.03931	12.8
65.42587	0.5
69.57498	1.3
69.57922	3.9
77.11753	0.5
78.36469	0.5
79.94936	0.6
91.05470	100.0
92.05804	3.3
95.04942	0.7
96.41167	0.5
119.04929	89.3
120.05253	3.9
123.01084	0.6
145.48683	0.5
146.66185	0.5
147.04388	30.5
148.04723	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	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22788	0.3
53.18882	0.4
57.40720	0.5
64.92796	0.5
65.03938	11.3
70.02052	1.8
70.02489	0.7
72.39801	0.4
84.04474	1.0
91.05474	100.0
92.05804	3.6
95.04962	0.9
99.96454	0.5
105.07037	1.6
117.07002	0.5
119.04933	90.7
119.08586	2.0
120.05251	3.5
121.85574	0.4
123.96382	0.7
124.16221	0.4
132.89789	0.5
137.86743	0.4
147.04399	31.7
147.08095	0.7
147.11681	0.7
148.04724	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
62.23766	0.5
62.98890	0.5
64.92796	1.4
65.03938	9.8
66.44512	0.5
68.88116	0.5
70.28898	2.7
79.05500	0.7
79.55304	0.5
84.04522	0.5
84.71841	0.5
91.05476	100.0
92.05808	3.6
95.04972	0.9
103.05470	0.7
104.16409	0.5
104.48336	0.6
105.07030	3.6
117.07006	0.6
119.04939	85.5
119.08599	3.7
120.05268	4.0
123.96423	0.6
129.06956	1.0
136.39896	0.6
143.29839	0.5
147.04402	30.2
147.08028	0.8
147.11699	1.5
148.04869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.52748	0.4
65.03935	12.5
70.80937	1.3
91.05471	100.0
92.05799	4.0
95.04948	0.7
101.78990	0.5
119.04933	95.3
120.05273	4.9
131.91873	0.5
147.04396	32.2
148.04753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.90985	0.6
55.79407	0.5
56.54424	0.5
58.94781	0.5
65.03937	11.7
65.25452	0.4
70.74765	0.5
91.05472	100.0
92.05797	4.1
98.94152	0.5
105.07020	0.8
119.04932	85.3
120.05264	5.0
147.04393	28.8
147.11653	0.7
148.04758	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	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92778	0.6
65.03931	11.3
91.05468	100.0
92.05811	4.7
96.01987	0.6
98.20680	1.4
105.07085	0.7
105.15524	0.6
119.04929	90.7
120.05264	3.9
147.04391	31.2
148.04784	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	146.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32955	0.9
63.11109	1.0
67.79245	1.0
69.96597	0.9
71.71643	1.0
71.72040	1.7
86.09702	100.0
87.10033	3.1
91.05468	10.3
119.04929	10.6
119.08611	1.5
140.32445	0.9
147.04375	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	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
57.56166	0.4
63.02359	0.4
64.92809	0.6
65.03938	12.1
66.04270	0.6
69.37648	5.5
84.04514	0.5
90.77370	0.4
91.05473	100.0
92.05819	4.1
96.38590	0.5
100.05281	0.5
105.07021	1.9
117.99842	0.5
119.04933	87.6
119.08555	2.3
120.05277	4.6
128.63635	0.4
147.04401	30.3
147.08080	1.1
147.11676	0.7
148.04767	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
62.03532	0.5
65.03934	10.8
71.64487	0.6
71.64826	0.8
80.15385	0.4
84.04519	0.8
86.60751	0.4
91.05473	100.0
92.05812	4.5
94.66621	0.4
100.41814	0.5
103.44815	0.4
105.07046	2.2
112.36624	0.4
119.04932	85.5
119.08548	2.6
120.05240	4.7
123.96439	0.5
124.68951	0.4
125.39535	0.4
129.06935	0.6
147.04398	29.9
147.08057	0.6
147.11714	0.9
148.04832	2.1
166.06212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36047	5.9
79.41811	1.3
100.02454	2.3
101.00883	20.6
118.03517	8.9
119.01912	100.0
120.02051	3.7
124.02409	2.4
136.04565	5.1
137.02954	33.9
137.49992	3.4
138.03009	1.9
142.03490	20.0
157.50020	1.5
160.04515	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64558	1.0
53.44105	1.0
55.01858	1.9
55.05490	2.5
56.05013	2.6
56.96559	12.6
57.03425	4.5
57.87068	0.8
58.06590	2.0
58.99847	2.2
69.03412	3.0
69.07082	0.9
70.06577	3.0
70.99857	2.1
71.57545	1.9
73.02908	6.7
77.00883	4.0
81.03427	1.8
81.04530	7.7
82.04855	1.3
82.05289	1.2
82.06570	1.3
82.99821	1.1
83.00800	1.5
83.04932	1.1
83.06073	1.0
84.08125	3.7
84.96024	1.2
85.02889	2.5
88.02661	1.0
89.00896	1.4
90.01602	1.0
92.01269	1.5
92.52690	1.4
95.01932	1.4
95.06094	4.5
96.06400	2.3
96.08119	3.2
97.02859	2.8
97.07673	1.1
98.97580	12.5
100.02482	3.0
101.00867	19.3
104.52639	1.0
110.01287	2.4
111.02901	1.2
112.08734	1.0
113.10735	1.1
114.09124	1.4
116.12238	0.9
116.98616	7.8
118.03475	1.7
118.96776	1.9
118.98168	1.1
119.01907	100.0
120.01982	1.3
124.02449	1.5
124.05892	2.0
124.08694	1.1
125.02342	3.7
125.07090	2.8
125.10733	1.0
128.02271	1.6
128.06215	1.3
128.98621	1.2
133.03462	1.2
134.99643	3.6
136.04468	1.0
137.02942	24.2
140.00203	1.0
141.02708	1.1
142.03488	10.2
142.08614	0.9
143.01808	1.7
143.03384	24.0
143.08252	1.7
146.99644	1.9
160.04552	2.5
161.02960	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82235	0.8
54.03452	1.2
56.05023	1.2
56.96561	37.9
59.85162	0.8
69.07875	0.8
71.40501	1.3
71.95257	6.9
81.04516	1.2
96.05190	1.0
98.97577	100.0
116.93326	0.8
116.98613	87.5
117.98923	1.1
134.99644	44.7
140.00177	2.1
140.03371	0.9
140.08168	2.2
153.00717	5.6
158.01277	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	140.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61965	1.5
56.96567	8.8
58.06598	1.7
60.04492	1.5
67.05476	2.2
68.05017	4.9
69.03430	1.6
69.80212	8.9
71.95265	1.5
74.09712	100.0
81.04533	25.4
82.05312	13.5
83.06102	1.6
94.06573	3.2
95.01306	1.8
95.06092	26.2
96.05302	1.7
98.07190	3.4
98.97565	11.3
111.05563	8.3
112.07592	2.1
113.02363	2.5
114.08905	16.3
116.98615	13.7
122.06033	13.7
122.06934	2.5
123.05540	33.3
134.99702	7.9
140.06827	77.7
140.08047	3.6
141.01816	3.4
141.06543	16.5
141.07428	1.4
153.00667	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	141.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01872	0.7
55.05511	1.4
56.05032	1.6
57.04563	0.5
58.02968	0.7
58.06598	0.8
58.99582	1.6
59.06113	1.8
60.04516	1.6
65.03951	0.8
67.01884	0.6
67.05494	1.7
68.05021	1.3
69.03412	0.7
69.04546	0.5
69.07061	2.5
70.06585	0.5
70.99571	0.6
71.04989	0.6
71.06114	0.6
71.71973	0.8
72.04516	1.1
73.01138	0.5
79.05030	0.8
79.05490	16.2
80.05055	0.5
81.03428	0.7
81.04514	0.6
81.07054	0.8
82.06559	0.9
83.06110	1.6
84.04515	1.2
84.05679	0.5
85.01126	100.0
86.01463	1.8
86.08428	0.7
91.05472	0.5
95.01311	0.8
95.04962	4.8
95.06114	0.5
95.08598	0.9
96.04499	0.8
97.02891	0.6
97.06484	0.5
97.07630	1.0
98.07182	1.3
99.05574	1.6
100.03990	0.5
100.08732	1.4
101.07119	0.8
105.04492	0.5
111.00819	0.9
111.09186	0.6
112.37276	0.5
113.02370	5.0
113.04223	4.7
115.05444	0.7
118.96719	0.7
124.05843	0.6
141.01816	4.2
141.05492	1.1
141.06743	1.5
141.08594	0.5
141.11325	1.0
142.04999	1.0
142.08711	0.9
142.09778	1.9
152.86493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00065	0.8
53.00303	11.8
53.03929	1.9
54.03463	3.2
55.01868	3.8
55.05503	3.3
56.03765	0.8
56.04794	0.6
56.05030	6.2
56.96560	9.6
57.04543	0.8
57.93570	2.6
58.02940	0.9
58.06584	1.2
59.06110	1.7
65.03936	27.1
67.01842	2.5
67.02986	0.6
67.05508	4.0
68.05019	1.3
68.99776	4.5
69.03424	3.4
69.07063	1.1
70.06084	2.9
70.06565	1.8
71.01353	0.8
71.06096	2.2
71.95233	1.0
72.04521	0.5
79.05499	1.5
80.05017	1.0
81.04533	2.1
81.07057	0.9
82.02919	1.1
82.05305	0.6
82.06573	1.0
83.04980	5.9
83.06092	4.7
84.04493	1.4
91.05475	1.9
93.03407	7.4
93.07041	2.4
93.72765	0.4
94.06546	1.4
95.04967	4.4
95.06070	2.9
95.08593	1.2
96.04509	0.8
96.05616	3.8
97.02872	1.8
97.03994	0.6
97.06499	2.5
97.07647	1.3
98.07175	11.5
98.97572	9.9
98.98448	7.9
99.05584	3.5
105.04575	0.6
105.48008	0.5
109.07552	0.5
111.04436	19.8
111.08098	0.8
112.03964	1.2
112.04722	0.7
112.08703	1.9
113.07110	2.0
116.97267	4.7
116.98608	15.0
121.02854	14.8
121.03801	1.0
121.10160	0.7
122.03177	0.8
122.06195	0.7
122.07159	6.1
123.05544	7.9
131.29187	0.5
134.99651	15.9
139.03891	100.0
139.07510	2.0
139.08711	0.9
139.09753	5.4
139.11238	1.2
140.00163	0.6
140.03358	1.3
140.04269	3.8
140.07135	0.6
140.08167	8.8
141.06552	1.3
148.96149	0.7
153.00703	3.4
157.05122	0.5
158.01262	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
52.34412	0.5
53.00303	11.6
53.03930	1.4
55.01867	4.2
55.05498	1.7
56.05035	0.6
65.03935	16.2
67.01843	1.5
67.05491	2.0
68.99780	5.8
69.03412	1.7
69.03744	0.5
69.64812	3.8
71.01339	1.3
83.04980	4.1
93.03391	5.4
95.04939	1.1
97.02890	1.3
98.98481	0.6
108.27265	0.6
111.04426	13.8
116.98634	1.0
121.02853	9.6
121.03679	0.9
122.03191	0.5
131.44278	0.6
139.03886	100.0
140.04233	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	139.0388
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00305	18.8
53.24065	0.3
55.01857	1.2
55.05503	0.7
60.45024	0.3
62.72253	0.3
64.63131	0.3
65.03936	20.2
66.04265	0.5
67.01834	0.7
67.09420	0.4
68.99773	1.3
69.03424	0.6
69.61237	3.1
77.21221	0.3
80.51319	0.3
83.04966	1.7
93.03389	3.8
97.02898	0.4
111.03677	0.4
111.04441	7.7
112.04744	0.4
121.02859	16.1
122.03147	0.7
139.03889	100.0
140.04233	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	139.0388
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00304	12.8
53.03925	0.9
54.03451	0.8
55.01865	2.9
55.05513	2.8
56.05024	1.0
56.96561	12.5
57.04537	0.5
57.93566	2.0
58.02948	0.5
59.06111	0.6
65.03937	21.7
66.04269	0.5
67.01875	0.9
67.05497	2.0
68.02621	0.3
68.05018	0.6
68.99783	3.3
69.03426	3.1
69.07059	0.9
69.72030	0.3
70.06571	1.1
71.01325	1.2
71.06109	1.1
71.95251	1.3
72.04511	0.4
79.05486	0.9
80.05045	0.4
81.03381	0.4
81.04524	1.1
81.07036	0.7
82.02937	0.6
83.04967	5.1
83.06037	0.7
83.08607	0.3
84.04496	0.3
91.05465	0.9
93.03400	4.7
93.07046	2.0
94.06587	0.6
95.04977	2.3
95.06071	1.2
95.08573	0.7
96.05613	0.9
97.02911	1.8
97.03989	0.4
97.06510	2.6
98.07164	6.8
98.97569	10.5
98.98451	8.5
99.05578	1.9
111.04432	21.0
111.08047	0.8
111.09216	0.4
112.03972	1.7
112.04738	0.8
113.07155	0.4
116.97275	4.7
116.98607	16.3
121.02860	13.3
121.03943	1.2
121.06457	0.9
121.10159	0.5
122.03195	0.4
122.05984	0.4
122.06316	0.4
122.07151	3.4
123.05537	4.0
123.07984	0.3
125.02283	0.4
134.99646	25.1
139.03889	100.0
139.07458	1.8
139.09752	1.0
139.11154	1.3
139.12143	0.4
139.98819	0.5
140.00150	1.1
140.03354	1.2
140.04254	4.2
140.07143	0.7
140.08170	3.8
141.06584	0.4
148.96140	0.9
153.00697	6.0
156.02931	0.4
158.01234	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	139.0388
Annotation	2,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.36625	0.3
53.00306	17.3
53.03939	0.4
55.01858	1.3
55.05496	0.8
56.05041	0.3
56.63673	0.3
56.96545	1.0
57.93542	0.3
65.03940	18.2
66.04270	0.4
67.05482	0.6
68.99777	1.5
69.03413	0.9
71.15086	0.4
71.15421	0.8
71.38224	0.3
75.54255	0.3
83.04965	1.5
93.03400	3.4
95.04969	0.6
97.02870	0.5
98.07156	0.9
98.97590	2.4
98.98445	1.0
99.05588	0.5
111.04443	8.1
116.97240	0.5
116.98610	2.4
121.02861	15.5
122.07185	0.4
123.05547	0.9
124.52753	0.3
134.99644	1.3
139.03894	100.0
140.03369	0.4
140.04242	4.5
140.08165	0.8
141.06610	0.5
143.77573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03953	2.1
55.01863	1.0
55.05507	1.9
58.43351	0.7
62.35292	0.6
66.04720	0.9
67.05496	30.4
69.03421	1.1
69.07066	1.1
71.48045	1.4
77.03918	1.3
79.05487	5.3
81.07048	9.8
82.07386	0.7
91.05475	13.6
93.07018	5.8
93.77568	0.6
94.04183	7.1
94.07854	1.6
94.60208	0.7
95.04957	4.9
95.08595	7.2
97.06392	1.7
103.05470	0.9
104.06236	1.4
105.04536	0.8
107.04945	25.0
107.08567	1.6
109.06531	1.8
109.10146	32.9
110.07175	1.4
110.10503	1.2
117.07003	2.2
119.08568	15.3
120.08920	1.0
121.06482	10.0
122.03639	10.3
122.07275	100.0
123.07623	3.9
135.08035	4.5
137.02420	1.8
137.05960	13.8
137.09601	79.1
138.05496	1.1
138.06511	0.6
138.09947	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	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03942	1.0
55.05503	0.3
55.47495	0.2
56.96556	0.5
65.03938	2.0
67.05498	1.6
68.05039	0.2
69.03432	0.2
71.70100	0.2
78.03435	0.6
79.04181	0.3
80.04990	0.2
83.04965	0.5
92.04992	3.9
92.05821	0.9
93.05265	0.2
93.05772	1.0
94.06561	20.6
95.04958	0.8
95.06893	0.7
96.04487	4.0
98.97584	0.4
98.98463	0.2
109.05123	0.2
110.06034	17.9
111.04446	0.3
111.06378	0.5
119.01862	0.4
120.05188	0.3
121.02885	0.4
121.05024	0.3
129.62863	0.2
133.01657	0.3
133.03415	0.5
138.05489	100.0
139.03961	0.5
139.05829	4.0
154.04970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.0
52.44018	1.0
53.03941	6.5
55.01865	7.1
55.05501	3.1
57.07059	1.5
65.03920	2.8
66.04713	7.1
67.05146	1.6
67.05497	31.6
69.03426	2.3
69.04546	1.8
69.07047	1.7
70.07095	5.4
71.01331	2.5
77.03903	1.5
77.93513	0.8
79.05482	10.0
81.03414	17.0
81.04524	2.5
81.07049	16.6
82.06590	1.3
91.05475	19.9
93.07046	7.2
94.04176	51.9
94.07826	2.3
95.04987	6.2
95.08598	13.0
96.05617	1.3
97.06396	4.9
103.05429	2.6
104.06240	1.6
105.04498	1.5
107.01293	2.9
107.04943	28.2
107.08563	1.6
109.02872	3.6
109.06499	3.3
109.10146	35.1
110.07164	4.1
110.10527	1.1
117.07014	2.3
119.04912	1.6
119.08566	17.4
121.06497	9.4
122.03637	69.7
122.07277	100.0
123.03969	2.0
123.07621	4.2
125.45905	1.0
127.03883	6.6
135.07997	4.8
137.02330	29.4
137.03455	15.5
137.05960	91.9
137.09599	81.1
138.01762	1.5
138.05441	2.2
138.06371	5.8
138.09987	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02358	1.0
53.03933	2.4
55.01853	1.2
55.05487	1.1
65.03920	2.8
66.04723	8.5
67.05499	5.6
69.03413	0.8
69.07045	0.9
70.13215	3.3
76.13046	0.6
77.03918	1.4
79.05489	6.1
81.03436	1.1
81.07057	10.5
82.07423	0.7
82.56506	0.6
91.05485	6.7
93.07031	2.1
94.04184	59.8
95.04448	1.1
95.04971	3.7
95.08597	10.3
101.68044	0.6
105.03351	0.8
107.04932	3.1
109.06520	2.6
109.10158	1.5
110.06034	1.3
115.28138	0.6
119.04955	1.4
119.08602	0.8
120.04474	0.7
121.19096	0.7
122.03642	75.3
123.03992	3.1
135.04399	0.9
137.02486	4.4
137.05971	100.0
137.09619	2.6
138.01738	1.8
138.05437	1.9
138.06337	6.0
138.09154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02368	0.4
53.03938	1.1
55.01862	0.7
65.03931	1.8
66.04716	8.5
67.05495	0.7
70.98618	0.5
70.98928	0.5
72.54692	0.4
77.03926	1.3
79.05484	5.1
81.07044	2.9
91.05487	3.5
94.04179	58.2
95.04501	1.5
95.04982	1.8
95.08603	0.7
105.03380	1.0
107.04969	2.0
109.06503	0.8
118.46800	0.4
122.03638	76.3
123.03970	2.1
135.04425	0.8
137.05966	100.0
138.06340	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	1.0
53.03942	2.8
54.03457	0.5
55.01871	1.1
55.05508	0.8
56.03788	0.7
56.05020	0.5
57.03394	0.4
57.07059	0.9
65.03933	2.8
66.04716	7.8
67.05502	4.6
68.05014	0.7
69.03433	0.6
69.04546	1.3
69.07068	0.7
70.09715	1.9
72.04498	0.7
77.03922	1.0
79.05477	5.4
81.03413	2.0
81.04529	1.4
81.07046	9.6
82.06583	0.6
83.06133	0.7
91.05475	8.1
92.04941	0.4
92.05821	0.6
93.07052	2.7
94.04178	53.8
95.04472	1.3
95.04999	3.5
95.06058	0.9
95.08596	7.6
96.04494	0.4
96.05595	1.4
97.06384	5.8
97.07684	0.5
98.04787	0.9
99.60101	0.4
105.03354	0.6
105.04515	0.6
107.01286	0.6
107.04970	1.9
109.02869	0.7
109.06506	3.4
109.10152	1.0
110.06042	1.0
110.06483	0.4
110.07148	4.1
111.05579	0.8
117.68370	0.5
119.04929	1.3
120.04450	0.6
120.05617	0.5
121.07633	0.4
122.03635	71.2
122.07288	1.4
123.03976	2.7
135.04375	0.7
137.02481	6.1
137.05962	100.0
137.09593	2.4
137.13205	0.6
138.01732	1.4
138.05437	2.0
138.06360	5.1
138.09157	0.6
138.10202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03955	3.0
54.03469	1.0
55.01870	1.9
55.05505	1.5
56.03760	0.9
57.07065	1.8
65.03941	2.2
65.86879	0.5
66.04720	8.3
67.05499	8.2
68.05024	1.3
69.03413	0.7
69.04545	2.2
69.07069	1.2
71.20019	1.4
72.04510	1.1
79.05491	9.4
80.05033	0.8
81.03402	1.7
81.04544	3.9
81.07051	17.2
82.06577	1.0
83.06104	1.8
91.05473	10.2
93.07043	4.3
94.04182	59.6
95.04485	1.3
95.05006	4.6
95.06064	1.2
95.08603	20.2
95.09219	1.0
96.04504	0.6
96.05606	2.1
97.06392	8.3
97.07675	0.6
98.04797	2.0
105.03394	1.2
105.04528	0.7
107.04976	3.4
109.06505	4.1
109.10143	2.0
110.06037	1.4
110.07165	6.8
111.05572	1.6
119.04935	1.8
119.08552	0.8
120.04458	0.6
120.05587	1.3
122.03642	76.2
122.07281	2.9
123.03982	2.8
135.04443	0.7
137.02547	4.3
137.05968	100.0
137.09618	3.6
137.13229	1.7
138.01782	1.2
138.05455	3.4
138.06398	5.9
138.09146	0.8
138.10184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49729	0.3
53.95141	0.3
55.67850	0.3
56.96550	0.3
67.02994	0.5
70.94277	0.9
71.42693	0.3
80.05009	0.3
81.07022	0.4
91.05456	0.5
92.02482	0.7
93.51629	0.3
94.04047	3.8
109.05096	0.8
112.05045	0.6
114.10746	0.3
119.03542	11.5
119.04391	0.7
136.02162	2.9
136.06174	100.0
137.02341	0.3
137.04587	8.0
137.05688	0.6
137.06506	1.9
138.04953	0.4
154.04916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
51.39302	0.1
56.96547	0.3
60.89751	0.1
67.02977	0.8
71.06815	0.4
82.04063	0.2
91.05468	2.9
91.11680	0.1
92.02474	1.1
94.04040	4.9
106.12490	0.1
109.05102	1.0
112.05077	0.6
119.03536	15.2
119.04926	0.7
120.03886	0.5
131.01872	0.1
136.06169	100.0
137.04573	9.5
137.05658	0.4
137.06630	2.7
138.04945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90734	0.2
56.96556	1.0
57.88306	0.2
63.56088	0.2
65.03928	1.1
67.02972	0.5
77.00873	0.2
81.07021	0.3
83.04997	0.2
90.48265	0.2
91.05472	13.5
92.02473	0.7
94.04050	3.7
97.99175	0.3
100.02468	0.5
102.01521	0.3
107.04932	0.3
108.04387	0.2
109.05081	1.0
109.06445	0.5
110.46501	0.2
111.02086	0.5
112.05074	0.5
113.00858	0.5
118.03469	0.3
119.03551	11.7
119.04890	4.6
120.02577	0.3
122.03660	0.2
124.94459	0.2
131.01898	5.1
132.02023	0.3
134.02313	0.2
136.06174	100.0
137.04573	8.9
137.05911	3.4
137.06618	1.3
137.52046	0.2
149.02966	1.5
152.57211	0.2
154.03386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02351	0.8
53.03941	7.1
54.03448	0.9
55.01863	1.7
55.05507	12.9
65.03935	5.0
67.03001	1.1
67.05499	4.6
68.05021	5.8
69.03415	0.9
69.07069	6.2
71.71240	1.3
72.70596	0.7
77.03907	1.9
79.05486	31.4
80.04992	2.2
80.05822	1.3
81.07053	5.7
85.18917	0.7
91.05473	56.8
92.05803	3.1
93.04514	1.0
93.05811	1.5
93.07037	61.9
94.04020	1.2
94.07361	2.7
94.07835	2.5
95.04961	12.2
95.06081	2.4
95.08595	0.8
96.06860	4.2
103.05447	1.7
104.06239	0.7
105.04514	3.1
105.07021	24.4
107.04945	5.9
107.08584	100.0
108.04464	0.9
108.05598	1.1
108.08173	1.4
108.08905	5.5
108.42057	0.7
109.01095	7.5
109.06517	11.3
109.07619	3.3
115.05497	1.4
117.07021	3.5
117.34844	0.8
118.06529	1.2
119.03526	2.5
119.06071	3.6
119.08571	9.8
120.05686	0.7
120.09407	3.9
123.49946	0.7
135.04396	6.5
135.05513	2.4
135.06621	2.4
135.08060	7.7
135.11685	19.6
136.02151	89.7
136.03903	3.0
136.05063	2.1
136.06174	26.1
136.07545	4.6
136.08528	7.3
136.11151	1.2
136.12064	1.7
137.04602	1.9
137.09695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.00310	0.9
53.03939	5.2
55.05508	7.9
57.07073	2.1
58.81357	1.0
65.03925	3.4
67.05486	2.0
67.60926	0.9
68.05024	1.0
69.07070	1.8
71.22520	2.7
74.89152	0.8
77.03895	0.9
79.05487	18.9
80.05775	0.9
80.27193	0.8
81.07038	2.3
82.06547	0.8
91.05470	59.7
92.05812	2.6
93.07035	51.1
94.07362	1.6
95.04961	8.1
96.06876	0.9
103.05475	2.6
104.06238	1.8
105.04526	1.6
105.07020	28.5
105.07729	1.5
106.07266	1.6
107.04938	2.1
107.08582	100.0
108.08237	0.9
108.08879	4.6
109.01112	1.3
109.06503	10.9
109.07597	1.7
115.05427	2.5
117.07040	4.9
119.06051	3.3
119.08567	20.9
120.09370	6.6
124.60608	1.0
131.65921	1.0
133.10100	1.6
135.08130	4.6
135.11682	32.4
136.02144	18.8
136.03818	1.2
136.05133	1.6
136.06177	5.1
136.07568	1.7
136.08598	2.0
136.11996	2.7
137.09621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02370	1.4
53.03942	7.5
54.03452	1.8
55.01859	1.3
55.05506	8.8
56.05028	1.0
57.07051	0.9
65.03933	5.0
67.05499	4.1
68.05025	7.5
69.03432	1.8
69.07057	2.9
70.86306	2.1
79.05486	34.5
80.05023	2.0
81.03419	1.5
81.07054	3.8
82.06573	1.2
83.06109	0.9
87.05589	2.7
89.03893	2.6
91.05474	72.1
92.05779	3.8
92.06303	0.9
93.04510	1.0
93.07040	49.9
94.04052	0.9
94.06621	0.9
94.07375	2.2
95.04964	12.7
95.06071	5.5
95.08624	1.1
96.06861	9.3
103.05457	1.9
104.06257	1.5
105.04506	2.8
105.07027	35.7
106.07275	1.7
106.07893	1.6
107.04951	6.9
107.08586	100.0
108.04491	1.7
108.05586	1.0
108.08188	1.4
108.08931	5.3
109.01090	5.8
109.06512	10.9
109.07635	10.2
115.05447	3.2
117.07019	5.3
118.06511	1.5
119.03549	2.9
119.06065	5.9
119.08571	23.2
120.09442	6.9
121.06450	0.8
133.10150	2.0
135.04407	8.4
135.05482	1.8
135.06477	1.3
135.07053	1.6
135.08047	11.9
135.09109	1.5
135.11685	25.0
136.02158	64.5
136.03911	3.6
136.05020	2.0
136.06175	21.2
136.07547	5.0
136.08606	11.9
136.12029	2.3
137.04613	1.5
137.09595	1.2
150.19037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02359	1.3
51.70901	1.5
53.03933	4.3
55.05505	8.2
57.07063	3.3
59.47841	1.3
64.97301	1.5
65.03922	3.0
67.05482	2.8
69.07050	2.3
69.81297	1.4
70.18620	6.2
79.05486	15.5
81.07046	2.2
91.05472	57.5
92.05782	1.4
93.07039	48.6
94.07314	1.6
95.04972	9.5
95.08579	2.1
103.05433	1.6
104.06259	1.8
105.07023	28.3
106.07877	1.7
107.08582	100.0
108.08901	4.1
109.06532	9.6
114.84397	1.2
117.07001	3.3
119.06119	3.3
119.08583	19.2
120.09324	6.2
130.65665	1.4
133.10132	2.2
135.10649	1.8
135.11674	34.4
136.02173	7.2
136.06168	2.2
136.08698	1.7
136.12067	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	7.1
53.93928	0.7
55.01871	0.9
55.05511	15.1
56.31441	0.9
57.07068	0.9
58.14425	0.8
59.03353	0.9
60.03360	0.9
65.03922	3.3
67.05160	1.1
67.05502	19.7
68.05062	0.8
69.03394	1.2
69.07066	7.9
76.39524	0.8
77.03954	0.8
79.05489	60.2
80.04996	1.1
80.05807	2.7
81.07053	22.4
82.07350	1.0
91.05479	30.5
93.07040	75.3
94.04070	1.5
94.07350	3.0
95.04966	14.7
105.04490	2.3
105.07015	7.0
107.04987	4.9
107.08590	52.0
108.04519	1.0
108.08134	1.5
108.08911	2.7
109.01091	9.2
109.06521	3.2
112.03962	2.1
115.05479	1.4
117.07007	1.3
118.06481	1.1
119.03545	2.5
119.06001	1.3
119.08527	2.5
120.09322	1.1
135.04405	9.0
135.05444	1.6
135.06564	1.4
135.08049	4.9
135.10660	1.6
135.11685	35.2
136.02159	100.0
136.03899	2.9
136.05115	2.5
136.06168	28.3
136.07549	3.9
136.08482	1.2
136.11116	1.1
136.12030	3.7
137.04593	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.70459	1.1
53.03938	9.0
53.59336	1.3
55.05508	16.1
57.07040	1.3
64.04214	1.3
65.03909	2.1
67.05499	20.6
69.07062	8.3
77.03873	1.6
79.05487	62.4
80.05791	1.7
81.07050	23.5
91.05473	35.9
92.05762	1.5
93.07038	100.0
94.07359	4.5
95.04952	10.3
105.04489	2.6
105.07024	12.1
107.04943	2.0
107.08582	74.0
108.08933	4.8
109.01089	1.9
109.06497	5.0
118.98477	1.3
119.08549	6.8
120.09365	3.1
133.10094	2.7
135.11679	46.8
136.02145	10.8
136.06169	4.8
136.12024	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	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02365	0.9
53.03941	5.5
54.03458	1.0
55.01866	7.6
55.05503	1.8
65.03931	7.1
67.02969	1.4
67.05502	5.3
68.05018	7.0
69.03423	4.5
69.07053	1.0
71.71055	0.7
71.71444	0.9
77.03879	1.0
79.05486	41.1
80.05006	1.3
80.05806	1.4
81.03399	1.4
81.07058	2.2
85.97121	0.9
89.03896	0.8
91.05468	58.2
92.05772	1.9
92.06283	1.3
93.07035	21.1
93.07605	1.7
94.04047	1.9
94.07343	1.3
95.04958	10.7
95.06066	3.1
96.06863	5.0
105.04505	2.4
105.07018	19.1
106.06538	1.0
106.07351	1.2
107.04954	12.5
107.08577	45.3
108.04491	1.5
108.08200	0.8
108.08918	2.1
109.01098	7.8
109.06506	10.0
109.07602	4.2
115.05444	13.2
117.06998	9.7
118.06516	1.2
119.03524	2.9
119.06025	4.2
119.08568	3.3
120.05689	1.0
120.09450	1.4
120.15418	0.8
135.04398	11.5
135.05510	2.0
135.06606	3.0
135.08044	23.4
135.09082	1.5
135.11653	9.1
136.02147	100.0
136.03893	3.4
136.05049	2.5
136.06155	29.8
136.07536	4.1
136.08635	5.7
137.04567	2.7
145.26357	1.0
154.05072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.5
53.03939	0.9
58.21318	0.4
63.32980	0.5
67.01862	100.0
67.05504	1.0
68.02200	1.8
70.83434	1.0
70.83832	1.0
79.05474	2.9
81.07078	0.6
91.05477	2.7
93.07043	2.2
95.04974	1.4
97.06057	0.5
105.07035	0.7
107.04948	59.9
107.08594	2.1
108.05234	2.9
115.05453	0.7
117.06968	0.7
119.08631	0.5
126.59743	0.5
135.04419	4.4
135.08078	1.2
135.11676	1.0
136.02156	10.6
136.06203	2.2
136.07622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
54.36759	3.0
54.98858	2.8
55.01855	10.1
55.05495	3.8
56.96564	60.7
57.03437	24.6
58.99851	6.5
59.06108	3.4
60.04527	6.7
63.27021	2.6
65.03923	6.1
67.01861	7.2
67.05494	6.1
69.03413	15.5
69.76970	9.9
69.77383	10.4
71.04981	3.9
72.52946	5.9
73.02907	10.4
74.06083	3.7
75.05585	7.7
77.00889	13.4
78.52975	3.7
79.05488	23.8
79.51147	4.8
80.05006	4.4
81.03406	9.6
82.01399	5.6
85.53719	4.5
86.52679	18.5
87.05575	19.5
87.53456	4.1
88.02676	6.9
88.51689	57.5
89.01751	13.8
89.51572	10.5
91.05491	22.2
93.01857	3.5
93.07042	9.6
93.53469	8.6
95.01929	7.2
95.04952	12.9
95.53194	4.4
97.52185	9.9
98.97574	12.7
99.53462	6.3
100.02474	53.1
100.52501	6.2
101.00872	12.4
101.02522	4.7
102.02349	10.9
103.02444	5.7
103.99366	4.9
105.00330	4.5
105.04511	4.1
105.07020	11.5
106.06548	5.5
106.07362	7.4
107.04947	14.7
107.06077	5.9
107.08561	13.8
108.53987	3.3
111.02930	17.9
111.53342	4.3
113.00848	3.7
113.53226	3.0
115.01151	4.3
115.05440	12.9
116.98602	20.0
117.03973	5.5
117.07046	29.3
118.03512	43.3
119.01912	82.7
119.02778	4.1
119.03581	5.0
119.08495	3.0
119.48949	4.4
119.97350	5.2
120.01958	19.4
120.03315	6.9
120.04182	6.2
121.01627	19.6
121.03442	4.3
122.53660	4.8
122.54473	3.2
124.02412	5.1
125.99220	24.0
126.49236	7.7
126.99072	10.0
128.06226	22.9
128.49487	11.1
128.97841	11.9
129.02068	4.2
129.03917	8.9
129.04793	5.7
129.06987	9.7
129.49370	5.8
130.03522	5.9
130.06271	13.4
130.07768	5.3
131.01869	23.5
131.08528	5.5
131.53221	5.2
133.03471	4.8
134.03700	4.5
134.04744	4.6
134.05991	14.1
134.07095	19.3
134.09634	6.3
134.99640	24.9
135.04288	19.2
135.05344	3.9
135.06581	4.0
135.08037	6.6
135.11629	4.7
136.04570	4.1
137.02936	35.9
137.49997	100.0
137.98401	20.3
138.00043	30.7
138.03043	9.8
138.49854	40.9
138.99011	3.2
139.02661	15.1
139.06773	6.6
140.00261	8.2
141.06981	7.0
141.57060	4.1
142.03485	56.4
142.07785	16.2
143.03671	11.7
143.05586	6.5
143.08557	36.1
144.03255	11.6
145.03432	7.6
145.06506	6.2
147.05048	16.5
149.00847	11.9
149.02927	8.1
149.50795	4.0
150.00731	6.8
153.00726	3.9
154.03465	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
52.75484	0.6
53.03944	1.6
55.01859	0.7
55.05506	3.3
65.03948	1.1
67.05501	1.2
69.61250	5.7
69.87171	0.6
77.03943	0.7
79.05486	9.4
81.82284	0.6
85.32030	0.9
85.45248	0.7
91.05480	36.8
92.05820	1.9
93.07008	3.2
95.04972	2.1
96.14234	0.7
98.20728	1.4
103.05466	4.8
103.09527	0.6
105.03403	0.8
105.07027	100.0
106.06609	0.8
106.07336	3.5
107.08623	0.8
115.05435	4.4
117.07014	4.2
118.07809	3.6
129.07019	0.9
131.08554	8.0
133.06499	7.8
133.07480	1.1
133.10123	47.5
134.05983	2.4
134.07013	0.8
134.10495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03948	2.3
53.78932	0.3
55.01862	0.3
55.05506	2.9
64.32944	0.3
65.03935	1.0
67.05497	0.9
71.03531	0.5
71.03850	0.4
77.03912	0.4
79.05486	10.5
89.31784	0.3
91.05474	25.5
92.05803	1.1
92.06303	0.5
93.07035	6.6
95.04961	3.0
95.49206	0.3
103.05463	5.3
105.04544	0.9
105.07024	67.2
106.07329	2.6
107.08563	1.6
115.05446	8.5
116.06295	1.7
117.07005	10.4
118.07808	11.2
129.06982	1.1
131.08559	8.8
131.09306	0.2
132.08904	0.4
133.02798	0.4
133.06516	4.6
133.10120	100.0
134.06036	0.4
134.07059	0.7
134.10442	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02365	0.4
53.03936	1.6
53.15465	0.4
55.05505	3.0
57.01233	0.4
65.03937	0.5
67.05491	0.7
70.70527	1.6
77.03912	0.5
78.93385	0.4
79.05486	8.4
79.63121	0.3
91.05474	25.1
92.05795	0.9
92.06303	0.5
93.07045	5.6
95.04952	3.2
103.05466	4.8
105.07022	61.3
106.07359	3.1
107.08577	1.6
115.05437	8.5
116.06242	1.4
117.07008	9.5
118.07800	11.4
118.46483	0.4
125.77940	0.3
129.07047	0.8
129.85696	0.4
131.08565	8.3
133.02972	0.4
133.06517	1.7
133.10120	100.0
134.05972	0.4
134.10460	6.3
143.30161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02365	0.5
51.25176	0.3
53.03947	2.1
53.44341	0.4
55.01865	1.3
55.05507	3.2
57.31288	0.4
58.05325	1.1
65.03926	0.9
65.88298	0.4
67.05499	0.5
69.03415	0.4
69.33261	0.4
70.06108	2.2
75.05599	0.5
77.03915	0.9
79.05482	15.2
79.05944	0.8
80.04994	0.4
80.05827	0.6
91.05473	28.1
92.05798	1.2
93.07041	6.4
95.04950	3.7
98.21425	0.6
103.05463	8.8
103.06104	0.3
105.03410	0.8
105.07020	94.0
106.07352	4.5
107.04942	0.7
107.06057	0.6
107.08577	1.6
115.05459	10.0
116.06205	1.4
116.06999	0.4
117.07011	9.7
118.07808	10.1
129.06976	0.7
131.04980	0.6
131.08559	8.0
133.02794	1.0
133.06488	22.0
133.10117	100.0
134.05989	1.0
134.06985	2.1
134.10443	5.6
137.13643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.05500	3.2
65.03927	1.6
67.05492	1.2
68.98141	0.8
70.50974	2.5
73.02881	0.7
79.05487	12.2
80.64907	1.0
84.73624	0.7
91.05473	38.0
92.05797	1.7
93.07030	5.0
95.04959	3.7
98.21356	1.0
103.05470	6.6
105.03349	1.0
105.07024	100.0
106.06674	0.8
106.07370	3.3
115.05464	8.5
116.06243	0.9
117.07011	10.3
118.07809	8.0
131.08566	10.8
133.02792	0.9
133.06496	6.8
133.10123	72.3
134.06003	1.9
134.07054	1.0
134.10475	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	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
55.05494	0.3
55.98955	0.2
56.96561	3.7
57.03437	1.3
58.99853	0.6
60.95845	0.5
68.00367	0.3
69.03415	0.5
70.31252	1.1
70.50668	0.7
71.94077	0.3
73.02904	0.5
77.00907	1.5
77.50908	0.5
79.05477	0.9
79.51163	4.5
80.01195	1.8
80.51054	0.9
81.03417	0.6
82.01425	0.8
85.02883	0.3
85.53733	0.4
86.52687	0.5
87.02863	0.3
87.05589	0.6
88.02654	0.8
88.51688	52.8
89.00858	0.6
89.01731	14.1
89.51550	12.8
90.01622	1.0
91.01962	1.0
91.05478	0.7
91.52000	0.3
93.01887	0.3
93.53468	0.5
95.53233	0.6
97.52197	5.7
98.02254	1.8
98.20862	0.3
98.52051	1.7
98.97577	1.5
100.02477	13.7
100.52534	2.9
101.00883	0.8
101.02334	2.8
101.47927	0.9
101.52415	0.3
102.02340	0.9
103.02395	0.4
106.07347	0.3
107.04939	0.5
107.06101	0.4
107.08537	0.3
107.98178	0.9
108.48260	0.5
108.98016	0.5
109.02945	0.5
110.48412	1.1
111.02115	0.4
111.02943	0.7
111.48293	0.5
111.53265	0.9
112.03344	0.3
113.53184	0.4
115.05434	0.7
116.98668	5.7
117.04003	0.4
117.06997	0.8
117.48756	1.1
117.98598	1.2
118.03485	2.0
119.01909	5.3
119.03524	0.4
119.48925	3.5
119.55156	0.3
119.99033	1.1
120.02055	0.9
120.03310	0.4
120.04195	0.3
120.48838	1.1
120.97888	0.4
121.01648	1.5
122.53738	0.3
123.03872	0.3
124.02469	0.4
125.99215	22.8
126.49253	6.8
126.99080	7.7
127.49091	0.4
128.06219	0.6
128.49478	23.8
128.97946	0.6
128.99522	6.2
129.03986	0.4
129.49336	7.6
129.99408	0.5
130.06215	0.5
130.99782	1.0
131.01888	1.3
131.49799	0.7
131.99603	0.5
134.06047	0.4
134.07089	0.7
134.99701	2.5
135.04396	0.5
135.49820	0.4
135.99637	0.4
137.02951	1.6
137.50000	100.0
137.98318	1.4
138.00046	32.5
138.49866	33.6
138.99889	3.3
139.50093	0.4
140.00270	5.5
140.50327	1.7
141.00101	1.8
141.07016	0.3
142.03513	2.6
142.07751	0.9
143.03613	0.7
143.08574	0.9
144.03200	0.5
144.50813	0.4
145.03513	0.5
145.06535	0.4
145.10068	0.3
146.50533	1.8
147.00584	0.7
147.04980	0.5
147.50409	1.1
148.51616	0.3
149.00797	14.8
149.50847	5.0
150.00668	6.4
150.50754	0.5
151.51088	0.6
152.50983	0.4
153.00732	0.4
154.03407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02375	0.4
53.03951	1.8
55.01867	4.1
58.10064	0.3
69.61911	2.2
69.62314	0.6
77.03909	0.7
79.05486	16.1
80.05814	0.6
87.39949	0.3
91.05487	1.6
95.04974	2.5
98.20721	0.6
103.05461	12.0
104.05792	0.3
105.07021	100.0
106.07360	4.5
107.04949	1.4
115.05462	5.3
115.22326	0.3
116.05836	0.4
118.04129	0.4
131.04907	1.8
132.05655	0.5
133.06480	91.1
134.06824	4.8
143.06012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03943	2.3
55.01868	3.2
58.05328	0.7
61.97789	0.3
62.04270	0.3
68.09166	0.3
70.75962	0.7
74.02419	0.4
75.05598	0.3
77.03917	0.9
79.05482	19.1
80.05825	0.4
91.05473	2.9
95.04955	3.8
102.89988	0.3
103.05453	12.8
105.07017	100.0
106.07356	5.4
107.04935	1.5
115.05442	6.2
131.04924	2.0
133.06474	80.0
133.10046	1.9
134.06812	5.0
143.06090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02377	0.4
53.03939	2.1
55.01869	3.3
66.66692	0.4
71.59324	0.7
77.03916	0.4
78.17767	0.4
79.05489	18.0
80.05827	0.7
91.05489	2.2
94.04112	0.4
95.04958	3.8
97.64869	0.4
103.05460	11.6
103.06112	0.8
104.05788	0.7
104.85000	0.3
105.04510	1.3
105.07021	100.0
106.07354	5.0
107.04955	2.0
107.61429	0.4
115.05453	6.3
118.07804	0.5
131.04927	2.4
131.08586	0.4
132.05705	0.5
133.06480	80.5
133.10129	2.1
134.06816	4.9
143.06035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.65603	1.5
53.03942	1.6
55.05509	4.0
60.08458	1.5
61.73766	1.5
65.03930	2.1
79.05489	12.0
90.08669	1.7
91.05476	37.3
92.05789	2.6
93.07032	8.4
95.04954	3.8
103.05463	8.7
105.07025	100.0
106.07359	3.0
107.08595	2.7
115.05416	10.4
116.06213	2.9
117.07017	15.3
118.07820	11.0
122.69154	1.4
129.07042	1.7
131.08574	15.0
133.06480	7.5
133.10126	92.1
134.06038	2.5
134.10455	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.65007	0.6
51.80775	0.6
53.03942	1.6
55.01860	1.0
55.05512	4.5
65.03914	1.0
67.05499	2.1
69.57147	0.5
71.38474	0.6
71.49644	1.2
75.16004	0.7
77.03914	0.7
79.05488	8.9
79.34094	0.6
80.15765	0.6
88.18482	0.7
91.05476	36.7
92.05812	1.9
93.07042	4.3
95.04960	1.9
99.15870	0.6
103.05456	4.0
105.03400	1.4
105.07022	100.0
106.07333	4.2
115.05437	6.0
116.06245	1.1
117.07023	5.7
118.07807	5.3
118.77507	0.6
123.07903	0.7
131.08563	7.6
133.06480	6.9
133.10123	49.5
134.05991	2.4
134.07022	1.4
134.09570	1.0
134.10478	2.8
149.90491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03936	1.6
55.01870	1.6
55.05498	3.6
57.75443	0.8
65.03924	2.3
67.05495	1.3
70.42914	3.0
79.05490	10.6
90.57413	0.9
91.05470	33.4
92.05812	1.2
93.07030	7.2
95.04951	3.1
103.05460	6.1
105.03392	1.2
105.07019	100.0
106.06643	1.3
106.07358	3.5
107.08587	1.1
115.05463	8.5
117.07014	7.8
118.07812	10.1
129.45900	0.9
131.07648	1.4
131.08556	11.7
133.02873	1.0
133.06503	11.9
133.10118	68.2
134.06012	4.2
134.10455	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	133.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.5
53.03928	3.7
55.01856	2.5
55.05498	1.5
58.05323	1.1
66.04720	1.2
69.03417	1.3
70.87978	2.3
70.88342	2.2
74.67096	0.9
77.03926	1.4
78.07345	1.1
79.05482	19.0
84.21862	1.3
85.04038	1.2
88.02163	1.4
90.04693	2.6
90.77802	1.1
91.05473	12.1
93.07013	1.9
95.04961	5.9
103.05458	15.1
105.03372	1.7
105.07021	100.0
105.54289	1.0
106.07352	4.5
107.04935	1.3
115.05470	6.3
116.22899	1.0
117.06992	3.1
118.04138	9.1
118.07758	1.5
129.69504	1.3
131.04922	1.9
131.08594	2.8
133.06482	73.4
133.10120	26.2
134.03636	1.5
134.06035	2.0
134.06949	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
53.03936	2.5
55.01874	4.8
56.98670	0.3
62.98571	0.4
70.89681	0.8
77.03923	0.6
79.05485	17.6
80.05826	0.8
88.77672	0.3
89.11592	0.4
91.05479	1.6
94.04200	0.5
95.04954	3.6
103.05460	12.9
104.05796	0.6
105.07019	100.0
106.07356	5.0
107.04936	1.6
113.01443	0.4
115.05450	5.5
131.04935	2.3
132.05725	0.4
133.06476	75.9
134.06825	5.6
135.03091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.09134	0.5
55.01858	0.9
56.05029	1.2
56.96560	14.7
57.03423	1.3
58.06592	1.0
60.95831	2.0
61.01138	0.6
61.02904	0.9
65.70290	0.5
69.03439	1.0
69.07059	18.6
69.96147	0.8
70.07392	1.1
70.94328	1.4
71.04984	1.7
72.93782	1.0
73.02892	0.7
84.04483	0.7
85.02905	1.0
86.09695	100.0
87.10025	3.4
98.01253	0.8
98.97554	1.9
99.04438	2.6
102.96880	1.1
105.07005	1.8
110.01242	0.7
112.02172	0.7
116.98600	1.0
118.00998	0.5
119.01830	0.9
123.07930	1.4
127.03874	0.8
130.01988	0.5
131.96150	0.6
133.06458	0.6
134.99649	0.8
149.97203	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	132.1019
Annotation	DL-tert-Leucine
Peak:m/z	Relative Intensity
53.03928	1.0
55.01852	1.3
55.04752	0.8
57.03439	1.4
57.04536	0.7
58.05330	2.1
58.06585	1.6
65.97105	0.8
72.04511	1.2
72.93773	1.5
75.05593	3.2
79.05488	3.9
84.79507	0.9
85.03996	0.9
86.09699	100.0
87.05577	1.3
87.10029	3.0
90.18867	0.8
90.90379	1.7
91.05484	2.5
95.04972	1.4
103.05465	2.8
104.04971	2.7
104.05769	1.5
105.03390	1.2
105.07024	29.9
105.07734	1.6
115.05497	1.1
131.80548	0.8
132.04424	5.0
132.06598	1.3
133.02855	1.3
133.06494	24.8
133.07520	1.4
133.10138	3.5
142.05434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	3.4
51.02379	11.5
51.53022	1.3
53.03694	1.2
53.03942	18.7
55.01863	3.2
55.05505	1.2
56.05024	1.3
57.04540	1.9
58.02965	1.2
58.05338	10.2
58.06578	1.6
60.04504	2.1
65.03930	1.3
67.05492	3.8
67.05852	1.1
69.84085	2.9
69.84495	5.3
70.06579	1.8
74.02414	1.4
74.06069	3.6
75.05595	13.0
76.03989	2.0
76.80470	1.4
77.03926	50.3
77.04370	2.8
78.04269	2.1
79.01822	2.1
79.05490	11.8
81.03400	1.9
85.03584	1.0
85.04015	6.6
86.04805	1.2
87.05589	6.1
88.07676	1.4
91.05043	1.4
91.05489	14.0
92.03478	1.7
92.07109	1.1
92.90072	2.0
93.07011	2.5
95.04964	29.9
101.33894	1.1
103.05453	7.0
105.03388	58.9
105.04428	7.7
105.07021	79.7
106.03693	1.5
106.06503	1.8
106.07346	1.9
107.06067	1.7
108.54797	1.2
111.36599	1.2
115.05425	4.2
116.07090	1.8
117.07024	2.9
118.07773	1.6
131.08554	3.6
133.02843	100.0
133.06509	35.4
133.07567	5.7
133.10144	14.7
134.03198	5.3
134.06003	4.4
134.07091	4.6
150.96875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03941	3.4
56.28116	0.2
70.51297	0.8
77.03922	0.8
81.03414	0.3
91.05464	0.6
95.04956	5.9
96.05350	0.2
101.02283	0.2
102.04670	1.3
103.05460	100.0
104.05791	4.3
105.04510	1.0
107.81019	0.2
108.76210	0.2
113.07936	0.4
131.04922	9.0
131.08546	0.2
132.05292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
51.02379	0.4
51.21253	0.1
53.03942	3.1
53.86859	0.1
55.01862	0.2
56.05039	0.3
56.96562	0.5
57.03432	0.5
59.06141	0.3
64.80795	0.2
69.03429	0.6
69.74103	1.2
69.74460	0.2
70.03747	0.9
72.04508	0.3
72.08151	0.3
73.02902	0.2
75.55440	0.1
77.03916	0.6
77.15827	0.2
81.03410	0.4
84.04507	0.3
84.08141	0.2
85.04828	0.7
85.08475	0.7
86.00633	1.1
86.06055	0.4
86.09709	0.2
86.37253	0.1
87.05564	0.1
90.90356	0.3
91.05478	2.6
94.04161	0.2
95.04959	5.9
98.04764	0.4
102.04681	1.2
103.05460	100.0
104.05785	4.1
105.04496	1.5
109.42021	0.2
113.07245	0.2
113.07928	2.5
115.05527	0.2
116.06243	0.6
116.98557	0.2
129.06992	0.4
131.04918	10.0
131.05879	0.3
131.06915	0.4
131.08488	2.0
132.05289	0.5
132.06512	0.2
132.08940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0807
Annotation	1,2-Dihydroisoquinoline
Peak:m/z	Relative Intensity
55.05494	1.4
57.03431	1.8
57.66202	1.0
59.32693	1.0
65.03938	12.4
65.44298	0.9
67.05487	2.5
70.01840	6.8
79.05479	6.7
86.09692	2.3
91.05470	100.0
92.05795	6.1
93.07021	2.2
95.04961	2.6
103.05448	3.7
104.05766	1.9
105.07019	52.5
105.07738	2.5
109.06509	16.5
110.06793	1.4
115.05419	3.6
116.60870	1.0
117.05759	10.7
117.06986	5.3
118.07796	3.3
119.05283	1.1
119.06028	6.5
131.08528	4.8
132.06538	2.1
132.08066	30.9
133.06454	7.4
133.07455	2.4
133.08507	2.5
133.10110	28.1
133.68327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03943	4.9
54.76721	0.4
68.31653	0.5
69.03413	0.6
70.03750	0.8
70.05041	1.2
70.05449	1.6
77.03924	1.2
81.03378	0.6
83.28588	0.5
85.04834	1.2
85.08440	0.7
91.05472	5.4
95.04964	7.7
98.20761	0.8
102.04679	1.1
103.05459	100.0
104.05777	4.8
105.04539	2.4
113.07956	1.4
116.06215	1.3
129.07005	0.7
131.04919	10.8
131.05931	0.9
131.06898	1.0
131.08498	3.4
144.08064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.5
53.03935	4.9
56.96544	0.9
57.03433	1.4
59.83311	0.6
67.61038	0.6
69.03402	1.1
69.44643	6.1
70.03769	2.0
81.03366	0.7
84.04492	0.8
85.04829	2.4
85.08483	1.5
86.09669	1.0
86.95253	0.6
91.05469	11.0
94.02657	0.6
95.04955	8.9
102.04681	1.4
103.05457	100.0
104.05782	4.6
105.04505	2.0
107.72353	0.6
112.37450	0.5
113.07343	0.7
113.07951	6.2
116.06236	2.4
117.01479	0.6
122.95459	0.6
129.07001	1.4
131.04919	13.6
131.05927	1.2
131.06891	1.9
131.08527	7.3
132.05338	0.9
132.06580	1.5
144.08057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03946	4.8
56.96557	0.7
57.03424	0.8
69.03420	1.3
69.53667	0.3
70.03754	1.1
70.07391	0.4
71.70700	0.5
77.03928	0.5
77.40436	0.3
81.03394	0.4
84.04494	0.4
84.08142	0.4
85.04823	1.1
85.08469	1.3
87.67492	0.4
89.90660	0.3
90.90388	0.6
91.05473	9.8
92.05824	0.4
95.04960	8.3
102.04668	1.5
103.05460	100.0
104.05135	0.6
104.05784	3.9
105.04498	2.2
112.99965	0.4
113.07214	0.6
113.07919	5.0
115.05460	0.9
116.06242	3.3
116.98606	0.3
129.06989	1.4
131.04921	13.8
131.05904	0.6
131.06885	0.9
131.08528	7.7
132.05283	0.6
132.06549	0.8
132.09044	0.4
144.08086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03946	4.8
54.58025	0.5
56.96551	0.9
57.03424	0.9
69.03413	1.2
70.03756	1.4
71.70544	0.5
77.03922	0.9
81.03407	0.9
84.04490	0.6
84.08144	0.6
85.04852	1.7
85.08466	1.2
86.09696	0.7
91.05476	10.9
95.04960	8.7
102.04693	2.0
103.05463	100.0
104.05810	4.7
105.04477	2.5
109.37144	0.4
113.07224	0.6
113.07927	4.3
115.05437	0.8
116.06255	3.1
129.07024	1.7
131.04926	15.1
131.05925	0.7
131.06898	1.5
131.08543	8.5
132.04416	0.6
132.05312	1.0
132.06566	1.1
132.08107	0.8
137.74147	0.4
144.08083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
57.03428	2.5
57.07076	1.0
69.03413	1.8
69.75170	7.8
70.03770	2.6
70.05042	0.8
70.36074	1.0
71.01833	1.0
77.03941	1.2
84.04510	1.2
85.04826	5.3
85.08467	2.3
86.09684	1.3
91.05473	17.0
95.04963	9.0
102.04666	2.1
103.05463	100.0
104.05803	4.0
105.04500	1.3
113.07944	8.0
115.05497	1.2
116.06225	3.7
129.06999	2.7
131.04919	14.8
131.05954	1.9
131.06897	2.2
131.08542	16.3
132.04428	1.8
132.06517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06881	0.6
52.23937	0.6
53.84159	0.7
55.01868	0.7
55.05512	1.6
56.05038	5.1
56.96564	1.9
57.03429	1.2
57.07072	37.4
58.06584	1.5
58.07388	0.9
59.06119	2.7
67.05501	1.6
68.04999	0.9
69.03425	45.3
69.07067	6.5
70.03757	1.5
70.06593	3.9
71.05000	1.0
71.67429	0.9
71.67781	0.7
72.04511	2.3
72.08147	11.4
72.08514	1.2
74.09711	24.6
82.06586	3.3
84.04498	30.0
84.08137	30.0
84.08647	1.4
85.02902	1.1
85.04029	1.2
85.04819	1.0
85.07645	3.6
85.08477	1.8
86.06033	1.5
87.09221	2.4
88.29758	0.8
91.05494	3.2
94.06530	1.1
95.04947	0.8
98.04788	0.7
98.07162	0.9
98.97588	1.0
99.95382	0.7
102.03770	1.4
102.05486	0.7
103.05469	8.7
112.05067	1.9
112.07597	100.0
113.05876	0.7
113.07147	2.3
113.07941	6.3
116.06229	1.0
121.51013	0.7
130.02161	1.3
130.04976	1.8
130.06525	17.9
130.08632	19.7
130.09673	2.0
130.15906	42.2
131.04910	2.1
131.08551	2.1
131.16240	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
54.03468	0.3
56.05026	1.0
56.96566	4.0
58.99860	0.3
62.90376	0.2
67.27491	0.2
68.05025	0.5
68.43057	0.2
70.04063	1.2
70.06610	0.3
70.66775	0.2
70.98109	0.6
71.95262	0.3
74.84125	0.2
77.00890	0.6
77.62086	0.2
78.06313	0.6
80.05014	2.0
81.04535	0.8
81.05360	0.4
82.01411	0.5
82.92896	0.7
82.99854	0.7
83.06107	1.6
88.99160	0.3
89.00861	0.3
93.34399	0.2
95.01339	2.1
96.04493	0.9
96.05296	0.9
97.02895	0.7
97.07665	0.9
100.02462	1.6
101.00877	14.8
101.02535	1.4
102.00365	0.2
102.00999	0.9
102.02219	1.0
102.29863	0.2
104.53331	0.2
106.01997	0.3
107.06086	1.2
110.01255	0.6
112.03976	1.0
117.10250	0.4
118.03502	1.0
119.01914	100.0
120.01991	6.0
120.03248	0.6
124.02534	0.5
124.03952	4.1
124.04774	0.4
124.05865	0.5
124.07598	0.7
124.08711	2.4
125.07079	0.5
133.03474	0.4
133.92847	0.3
137.02951	42.7
138.03026	3.5
140.03421	0.6
142.03505	7.1
143.00182	0.3
143.03616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01849	0.3
56.05032	0.3
56.96550	2.0
57.03425	0.6
58.06568	0.3
58.99850	2.9
60.99606	0.3
61.02904	0.4
67.05484	0.2
68.05017	0.4
69.03426	0.5
69.47726	0.7
69.48152	1.4
70.68210	0.2
70.99848	1.9
71.01334	0.3
77.00895	3.9
78.00969	0.2
78.06322	0.6
80.05013	2.3
81.03409	0.6
81.04517	0.6
81.05332	1.1
82.01405	0.2
82.01810	0.3
82.99813	0.5
83.01517	0.7
83.06100	0.7
83.38045	0.2
84.01177	0.5
85.02900	0.3
89.00888	1.2
89.02537	0.5
94.01749	0.3
95.01374	0.4
95.01918	1.5
96.04480	2.1
96.05264	0.2
97.02317	0.3
97.02878	0.9
97.04790	0.4
97.07651	0.3
97.19836	0.2
99.52527	0.3
99.58961	0.2
100.02463	2.2
101.00864	15.5
101.02537	5.0
102.00996	0.6
102.02219	4.1
102.02895	0.4
103.02262	0.4
107.01881	0.4
107.03248	0.5
107.06099	0.5
109.02872	0.3
112.02789	0.4
112.03945	1.5
117.10226	0.4
118.03513	1.9
119.01902	100.0
119.03619	4.3
120.02006	6.2
120.03255	3.2
121.01611	1.2
121.02409	0.3
124.02509	0.4
124.03933	9.6
124.05881	2.5
124.07587	0.5
124.08694	1.4
125.07099	0.5
125.10709	0.3
133.01633	0.7
133.03409	0.5
137.02933	44.0
138.03004	2.7
138.03847	0.2
140.03404	0.7
142.03474	7.2
143.00081	0.3
143.03564	0.8
144.03230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	0.1
55.55276	0.1
56.05033	0.2
58.99858	0.2
71.48906	0.3
77.00889	0.2
80.05014	0.3
81.04551	0.3
82.01431	0.3
82.99828	1.0
83.01535	0.4
83.06093	0.8
84.01177	0.2
96.04491	0.3
96.05283	0.1
97.07626	0.4
100.02483	1.2
101.00872	15.4
101.02554	2.3
102.00935	0.8
102.02236	1.4
103.52626	0.1
107.06083	0.4
111.29308	0.1
112.03976	0.2
118.03521	0.7
119.01912	100.0
120.02000	6.4
120.03125	0.9
121.02343	0.3
124.02455	0.4
124.03957	1.0
124.08681	0.7
125.07166	0.1
133.03535	0.2
137.02946	42.4
138.03049	2.7
139.03374	0.2
140.03391	0.3
142.03493	6.4
142.95894	0.1
143.03642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40137	0.1
58.99860	0.3
60.00646	0.2
63.90428	0.1
70.00866	0.1
71.13013	0.3
77.00904	0.2
82.01434	0.3
82.99822	1.1
83.01509	0.6
84.01177	0.3
100.02480	1.3
100.38770	0.1
101.00870	17.9
101.02555	2.8
102.00941	1.1
102.02233	1.6
114.83589	0.1
118.03500	0.7
119.01909	100.0
120.02006	6.4
120.03144	0.9
121.02332	0.4
124.02449	0.4
124.04000	0.1
124.08668	0.2
133.03410	0.2
137.02945	37.6
138.03027	2.6
139.03384	0.3
142.03490	6.0
143.03618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73139	0.6
53.03942	4.6
55.05510	4.5
57.07074	5.3
65.03931	1.4
67.05501	17.2
68.05814	0.9
69.07073	2.0
70.92113	0.8
71.52467	1.1
77.03925	1.2
78.03439	0.6
79.05036	1.0
79.05492	17.1
80.05014	11.2
81.07053	100.0
82.07393	3.2
91.05460	1.0
93.07031	1.7
95.04959	21.3
95.08012	1.3
95.08598	15.3
96.04482	9.4
96.05128	1.1
96.05315	1.1
100.02477	4.4
101.02622	0.8
105.04536	1.6
112.03959	5.6
118.03521	4.0
119.01917	2.5
121.10156	2.0
123.04439	4.3
123.05547	22.9
123.08066	4.0
123.09162	1.7
123.11696	22.6
124.03947	17.1
124.05885	0.8
124.07571	1.8
124.12030	1.1
137.02982	1.5
140.03424	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	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02374	1.7
53.03941	13.9
54.03465	4.0
55.01867	2.3
55.05508	12.8
56.05038	7.1
56.26107	0.9
57.07065	3.8
65.03925	3.0
66.03448	1.2
66.32394	1.1
67.05496	49.7
68.05021	4.7
69.03405	2.3
69.04556	1.4
69.07051	2.6
70.06586	2.9
70.33317	0.9
71.71564	1.9
77.03948	1.3
79.05486	31.0
80.05007	29.4
80.06259	2.1
81.03414	2.4
81.04527	7.7
81.07046	100.0
81.31149	1.0
82.01460	1.1
82.04878	1.3
82.05315	1.7
82.07363	2.8
83.05647	1.9
83.06104	7.0
91.05479	3.6
93.07034	14.0
94.04216	1.0
94.07877	1.2
95.04957	91.6
95.08595	51.1
96.04494	14.9
96.05284	4.3
96.08919	2.1
97.07636	6.1
99.01500	1.2
100.02479	5.4
103.05476	2.3
105.04533	4.6
105.07014	10.2
106.07339	1.2
107.04954	7.6
107.06063	8.0
108.05724	37.4
108.09435	1.4
112.03948	11.6
118.03497	5.1
119.01929	2.7
121.06502	4.3
121.10155	1.7
123.04446	19.4
123.05562	42.6
123.08076	78.8
123.11682	21.8
124.03943	27.1
124.04878	2.4
124.07632	1.8
124.08708	18.7
140.03383	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01564	0.8
51.02355	1.3
53.03945	12.7
54.03470	2.9
54.04250	0.6
55.01826	2.2
55.05508	11.9
56.05031	6.2
57.07038	2.5
58.06553	0.7
60.04099	0.6
63.22767	0.6
63.51281	0.5
65.03944	3.3
66.03448	0.6
67.05499	66.0
68.05022	6.8
68.05809	1.9
68.65939	0.6
69.03391	1.7
69.04524	1.4
69.07043	1.4
70.06582	3.2
70.06878	0.5
71.18893	0.7
71.19238	1.3
77.03912	2.1
78.03445	1.4
79.05039	0.8
79.05487	14.9
80.05012	24.1
80.05754	1.0
80.06263	2.1
81.03382	2.1
81.04539	8.0
81.07050	42.5
82.04842	1.0
82.05294	1.2
82.06561	1.1
82.07370	1.4
83.05650	0.8
83.06099	11.4
91.05457	3.3
93.07037	10.7
94.06570	0.6
94.07349	0.6
95.01302	0.7
95.04962	100.0
95.06022	2.4
95.08598	61.4
96.04489	12.7
96.05273	3.0
96.06447	0.6
96.08141	1.9
96.08907	2.9
97.07645	7.2
100.02475	5.0
103.05444	1.1
105.03365	1.1
105.04507	5.0
105.07027	6.9
106.02908	1.0
106.06574	0.9
106.07363	0.8
106.20168	0.6
107.04978	3.2
107.06075	9.8
108.05727	16.3
108.07701	0.6
112.03960	10.8
118.03497	4.4
119.01907	3.3
121.06535	2.0
121.10125	0.6
123.03545	1.3
123.04475	21.5
123.05588	36.8
123.08104	33.4
123.09189	3.3
123.09989	1.1
123.11686	10.0
123.81277	0.5
124.03945	28.4
124.05932	1.2
124.07645	2.9
124.08741	18.7
125.07191	0.7
129.24451	0.5
137.03015	2.1
140.03412	5.4
142.03548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0554
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.21002	0.4
53.03940	1.9
55.01853	0.9
55.08535	0.3
57.03429	1.9
57.58791	0.3
58.99844	1.5
59.52184	0.5
61.02893	0.6
67.05484	0.5
68.02648	0.5
68.05006	1.0
69.03423	1.6
70.39864	1.6
70.40203	0.4
70.44675	0.4
70.99860	0.6
73.02905	1.4
77.00893	2.0
78.03447	11.6
78.52953	0.8
79.05506	0.4
80.05010	44.0
81.01923	0.5
81.03409	1.1
81.05341	1.1
82.01434	4.2
82.02650	0.4
82.99812	0.4
85.02898	1.3
86.03704	0.4
86.99310	0.4
88.02682	1.7
89.00852	0.4
90.02402	0.7
93.01900	0.5
93.07697	0.4
95.01932	0.6
95.04953	5.8
95.06050	1.0
96.02423	0.5
96.04481	16.1
97.02857	1.0
98.52654	0.6
99.53436	0.5
100.02471	28.2
101.00867	7.1
101.02566	1.3
102.02314	0.8
102.71851	0.4
103.02398	0.4
103.71503	0.4
105.04512	0.5
106.02905	20.8
108.97998	0.4
109.02832	0.7
111.02902	0.7
112.02795	0.5
113.00780	0.4
114.07518	0.4
115.02445	1.0
118.01161	0.9
118.03505	19.0
119.01910	35.9
119.03616	1.7
120.01983	0.9
120.03397	0.8
121.01627	0.8
122.95911	0.4
123.05537	100.0
124.03937	11.7
124.05890	2.2
131.01888	3.3
133.03447	0.9
137.02942	13.2
137.04001	0.8
141.05156	0.6
142.03481	4.5
143.01933	0.6
143.03647	0.4
144.03226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01593	1.0
51.02374	2.4
53.03944	15.9
54.03459	3.0
55.01860	1.5
55.05508	13.8
56.05042	6.5
57.07067	5.8
58.06600	1.0
65.03931	3.6
67.05501	54.8
68.05022	3.2
68.05819	1.5
69.03417	1.9
69.07049	3.0
70.06595	2.6
70.96851	2.7
77.03918	2.2
78.03466	1.4
79.05488	27.4
80.05014	27.7
80.05462	1.7
80.05785	1.1
80.06275	2.3
81.03429	2.1
81.04554	6.5
81.07053	94.8
82.04861	1.2
82.06573	1.4
82.07408	2.2
83.06105	7.2
90.04668	0.9
91.05477	4.0
93.07040	10.2
93.59280	0.9
95.01335	0.8
95.04964	100.0
95.08600	56.4
96.03884	1.3
96.04495	19.6
96.05304	4.4
96.08138	1.2
96.08936	1.9
97.07660	7.5
100.02478	6.9
103.05475	2.7
104.94651	0.9
105.04532	5.3
105.07034	12.7
106.02868	1.0
106.07368	1.0
107.04946	6.8
107.06049	7.0
108.05739	34.6
108.09367	1.2
112.03958	10.7
118.03522	7.2
119.01925	3.5
121.06503	5.4
121.10162	1.3
123.04453	21.9
123.05566	48.0
123.08083	82.3
123.11698	23.5
124.03948	38.6
124.04873	2.2
124.07616	2.8
124.08698	16.8
124.12090	1.3
137.02945	2.0
140.03444	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.3
53.03947	3.5
55.01905	2.7
56.96579	1.6
57.03436	5.1
58.99894	3.1
61.02922	4.9
65.52240	0.6
67.05541	1.4
68.02656	1.4
68.05032	0.9
68.98331	0.7
69.03419	4.5
69.65311	1.5
69.65723	4.1
70.99878	1.6
73.02911	5.0
73.88252	0.6
75.01910	0.6
77.00897	5.2
78.03450	6.7
78.06341	1.4
78.52970	1.6
79.05547	0.8
79.51948	0.7
80.05008	33.7
81.01904	1.0
81.03416	4.2
81.07066	1.3
82.01435	11.8
84.01221	0.7
84.53006	0.9
85.02921	2.6
86.03698	1.0
86.52703	2.1
87.53492	1.1
88.02663	3.5
88.52782	1.1
89.00898	1.1
90.02435	1.4
93.01900	1.5
93.53478	1.9
94.01814	0.9
95.01966	2.1
95.04959	18.5
95.05525	1.0
95.06065	1.0
96.02443	1.5
96.04487	13.4
96.05551	0.8
97.02857	3.9
98.21452	1.4
98.52715	1.0
99.53486	1.0
100.02471	81.6
101.00867	18.9
101.02544	5.3
102.02360	3.1
102.52497	1.0
103.00642	0.7
105.04520	1.2
106.02901	14.2
109.02886	1.3
111.02907	3.1
112.03992	1.5
113.00850	1.6
115.02428	2.4
117.10226	1.3
118.01126	2.6
118.03507	57.1
119.01909	100.0
119.03616	5.1
120.01991	2.0
120.03210	1.0
121.01612	1.5
121.03411	0.8
123.04195	3.1
123.04373	3.0
123.05536	76.9
124.02461	1.3
124.03941	14.6
124.05893	2.3
124.08681	1.2
131.01895	10.1
132.01991	0.9
133.01628	2.0
133.03427	2.0
135.03163	0.8
137.02939	37.1
141.02672	1.1
141.05057	3.1
142.03491	10.2
143.01845	1.6
143.03571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03945	9.5
53.46357	0.7
54.03228	0.9
54.03471	13.4
55.01851	1.8
55.05495	3.0
56.66209	0.7
56.96573	1.2
58.02942	1.7
65.03936	8.3
66.03461	0.8
67.02983	1.3
67.05495	2.6
67.83979	0.7
68.05012	2.3
69.38913	1.1
69.39317	7.7
70.06582	2.6
71.64910	0.7
77.03938	1.4
79.05489	38.7
80.05013	2.0
81.03433	1.6
81.04536	24.7
81.07040	2.0
82.05318	20.1
91.05473	28.1
92.05805	1.2
93.07040	41.7
94.04128	0.9
94.06552	3.5
94.07373	2.4
95.04965	15.1
95.06082	10.2
103.05463	17.0
105.03410	1.8
105.04514	7.1
105.07023	53.7
106.07890	5.1
107.04820	1.7
107.07330	2.8
111.04440	2.1
112.03983	1.0
119.08584	8.6
120.05586	0.9
121.02884	8.4
121.03910	4.6
121.05148	1.6
121.06496	11.1
121.07617	2.4
121.10139	30.8
122.06087	4.4
122.07146	100.0
122.09595	4.8
122.10445	1.5
123.08064	6.9
133.07640	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99869	1.1
59.18771	0.5
67.03939	0.4
68.99722	0.4
71.12108	1.2
74.28142	0.5
75.32493	0.5
77.00918	0.8
80.42846	0.5
82.01438	13.3
82.59399	0.5
82.99821	0.9
83.01542	0.6
86.03648	0.5
87.68301	0.4
97.26581	0.5
100.02476	72.1
101.00867	22.8
101.02565	3.4
118.02641	0.9
118.03513	46.0
119.01912	100.0
119.03650	2.1
123.04025	2.7
123.31757	0.5
124.03871	0.5
132.60649	0.5
136.04549	1.4
137.02943	38.6
141.05075	1.8
142.03506	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.33024	1.0
53.03944	9.5
54.03468	12.2
55.01860	1.6
55.05493	5.4
56.04000	1.0
63.54932	1.2
65.03939	8.5
67.02977	2.1
67.05488	4.2
68.05004	2.8
70.06572	1.4
70.52540	4.4
79.05486	47.7
80.05017	1.6
80.05795	1.5
81.03417	2.2
81.04534	19.7
81.07047	3.1
82.05311	15.7
91.04933	2.4
91.05473	37.2
92.05803	1.7
93.07034	59.1
94.06538	2.7
94.07371	2.7
95.04961	19.8
95.06071	8.7
96.43492	1.1
103.05456	18.5
104.05762	1.3
105.04520	6.9
105.07019	70.4
106.07217	2.2
106.07921	5.7
107.07343	4.2
111.04426	2.2
119.08569	10.7
121.02866	7.1
121.03970	2.9
121.06473	10.8
121.07630	2.1
121.09266	2.7
121.10135	43.3
122.06084	3.6
122.07142	100.0
122.09632	5.5
122.10444	2.3
123.08041	8.7
133.07593	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02367	1.5
53.03944	13.1
55.05508	8.2
58.94526	0.9
59.98158	0.8
65.03937	8.4
67.05492	2.7
70.21725	0.9
70.90477	2.4
77.03925	2.0
79.05487	45.0
80.04983	1.0
80.05818	1.5
80.06254	1.5
81.03395	0.9
81.04517	1.3
81.07055	5.6
82.05304	1.0
89.82891	0.8
91.05472	54.8
92.05815	2.7
93.07037	100.0
94.06536	1.5
94.07374	4.9
95.04963	25.2
103.05459	13.2
105.03374	1.3
105.04516	6.6
105.07021	51.0
106.07881	4.4
107.07336	2.5
111.04435	2.5
112.03954	2.5
118.46908	0.9
119.08572	7.8
121.02874	6.1
121.03995	3.2
121.05185	0.9
121.06508	16.0
121.10135	31.6
122.06028	3.7
122.07117	6.0
122.09664	4.7
122.10490	2.8
123.08049	5.8
126.49855	0.8
133.07588	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02363	0.9
53.03944	9.8
54.04034	0.6
54.04272	0.6
55.05508	9.6
55.66978	0.6
65.03951	0.8
66.31316	0.6
67.05492	1.7
71.33439	1.5
77.03918	2.3
79.05488	36.1
80.05836	1.2
80.06264	1.3
81.07054	4.4
91.05476	46.8
92.05811	1.8
92.06300	0.8
93.07037	100.0
94.06487	0.6
94.07378	4.8
95.04966	18.4
96.05338	0.8
103.05461	7.4
105.04507	3.6
105.07021	32.1
106.07919	3.1
119.08578	5.6
121.10139	20.8
121.10997	1.3
122.10430	1.2
123.08068	3.5
133.07631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.0
53.00295	2.5
53.03933	6.2
54.03471	14.8
55.01857	4.1
55.05512	1.6
56.05016	1.3
56.96562	2.2
57.14582	1.0
60.04512	1.9
65.03935	76.6
66.03452	1.7
66.04263	2.7
67.02985	4.0
67.05500	2.8
68.05016	7.9
70.06574	1.9
70.51372	4.1
70.92808	1.0
76.34634	1.0
77.03921	1.1
79.02956	1.1
79.05485	14.0
80.05005	4.8
81.04534	26.4
81.05795	3.8
82.05315	37.7
91.05472	16.4
93.03406	12.4
93.04536	1.4
93.07037	22.4
94.06567	8.1
94.07317	1.0
95.04976	11.2
95.06078	27.0
96.04485	1.6
98.03660	2.4
98.21416	1.5
98.97591	1.2
103.05461	9.9
104.04972	1.8
105.03389	1.6
105.04498	8.4
105.07022	15.3
106.05306	1.5
107.04809	2.8
107.07353	3.4
111.04424	16.4
112.04005	2.0
114.50540	1.1
119.08574	2.7
120.05598	1.5
121.02860	89.0
121.03970	21.8
121.06524	15.8
121.07552	8.8
121.10141	7.6
122.03200	3.6
122.06091	4.9
122.07139	100.0
122.09646	4.2
123.08037	1.4
134.16730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
51.02380	3.2
53.03942	24.8
55.01869	4.4
55.05496	1.7
61.68180	1.6
62.87188	1.8
65.03935	8.2
66.04259	1.7
67.05511	2.7
70.92018	3.5
70.92355	1.8
74.70213	1.4
77.03920	3.9
78.04697	2.9
79.05489	9.1
81.03408	3.7
81.04547	2.2
84.63336	1.5
91.05476	56.7
92.05814	2.0
93.07030	25.9
94.82042	1.6
95.04957	42.9
95.05527	3.2
103.05462	21.0
105.04510	10.8
105.07024	7.1
111.04456	2.4
121.02849	5.2
121.04067	3.8
121.06498	100.0
121.10114	2.8
122.06097	1.8
122.07117	8.2
122.09683	2.7
133.07596	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
54.04272	0.9
58.83549	0.7
62.77663	0.8
65.03932	5.8
68.74580	0.7
68.98868	0.7
69.58231	6.4
78.04708	1.3
79.05492	6.8
81.03423	0.7
91.05473	100.0
91.69761	0.7
92.04996	2.3
92.05817	2.6
93.07046	3.6
95.04970	3.7
96.05310	2.1
103.05458	8.4
104.06244	9.1
109.06528	1.5
115.05421	4.3
117.07010	16.6
119.04922	2.0
119.06184	3.5
119.06774	1.4
119.08570	59.3
120.04471	1.2
120.05573	4.6
120.08877	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	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03951	4.8
54.03461	6.1
55.01852	3.9
55.05501	1.1
58.75583	0.9
65.03935	76.4
66.04259	1.5
67.05485	1.5
68.04995	1.0
68.99786	2.6
69.03423	0.9
70.06575	1.5
70.45984	0.9
70.89049	2.7
71.01342	2.6
77.27072	0.8
79.01856	1.2
79.05484	9.5
81.04539	11.0
82.05315	7.9
82.67405	1.2
88.36329	0.8
91.05473	11.2
93.03381	2.0
93.07035	9.3
95.04967	5.1
95.06059	3.4
101.59586	0.9
103.05452	4.4
105.04500	2.4
105.07017	14.8
107.04870	0.9
109.02911	1.0
111.04433	42.8
112.04749	1.7
119.08584	2.3
121.02850	100.0
121.03963	32.9
121.06499	8.8
121.10110	5.9
122.03187	4.5
122.04341	1.7
122.06127	1.9
122.07143	41.1
122.09637	2.7
123.08002	1.8
133.07568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02355	1.2
52.51579	0.9
53.03929	4.0
54.04274	1.6
65.03924	4.6
71.71931	1.7
78.04670	1.1
79.05482	8.8
91.05473	100.0
92.05807	3.1
93.07043	6.8
95.04942	6.1
96.04535	1.3
96.05303	1.3
103.05453	9.6
104.06241	13.3
109.06458	1.5
115.05447	5.6
117.07027	18.5
118.07336	1.2
119.04950	1.8
119.06028	3.6
119.06851	3.9
119.08569	77.0
120.05575	1.5
120.08833	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.67038	0.6
53.03944	2.6
59.69826	0.6
61.51805	0.6
65.03940	5.6
70.07175	3.3
78.04726	1.7
79.05476	6.5
91.05474	100.0
92.04988	2.4
92.05811	2.6
93.07030	4.4
95.04970	5.2
96.04466	1.0
96.05290	1.5
103.05463	9.6
104.06258	10.3
105.04536	1.2
109.06507	1.2
115.05444	5.4
117.07011	20.4
118.07375	0.8
119.04955	2.6
119.06101	3.7
119.08572	60.9
120.04446	2.4
120.05576	3.9
120.08160	1.3
120.08929	3.2
121.06504	0.8
135.89268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	2.7
59.06115	1.7
65.03931	3.5
69.52264	1.1
69.52669	3.8
78.04694	1.3
79.05480	7.3
83.54404	0.6
84.78340	0.6
87.05565	0.5
91.05473	100.0
92.05801	2.4
93.07023	4.4
94.09005	0.5
95.04957	4.1
98.20776	1.1
103.05463	13.5
104.06244	10.8
105.04487	0.6
109.06511	2.1
115.05433	6.3
117.07008	41.1
118.07359	1.5
119.06100	1.8
119.08572	74.9
120.05589	1.4
120.08878	3.8
121.06529	1.4
121.73321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
53.03942	3.7
65.03934	5.4
67.05511	0.9
70.13348	3.7
70.31523	0.7
78.04697	2.2
79.05485	9.3
89.35877	0.8
91.05473	100.0
92.05796	3.2
93.07030	4.3
95.04943	5.3
96.05273	0.8
98.20734	0.8
103.05459	14.5
104.06244	15.8
105.04500	1.0
109.06488	2.4
115.05456	7.3
117.07011	22.5
119.04952	1.3
119.08568	96.8
120.04447	0.8
120.05566	0.8
120.08887	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	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51732	0.6
53.03942	2.5
54.04269	0.9
55.29032	0.7
65.03934	4.9
67.05508	0.6
68.90454	0.5
71.65652	0.5
78.04706	1.6
79.05486	6.6
91.05473	100.0
92.04986	1.1
92.05823	3.6
93.07041	5.3
95.04962	3.7
96.04497	1.4
96.05301	1.7
102.04723	0.6
103.05460	9.7
104.06247	11.0
105.04514	0.6
109.06490	2.1
115.05457	6.0
117.06183	1.3
117.07005	21.7
119.04919	1.8
119.06116	4.5
119.06777	1.3
119.08570	65.9
120.04493	0.8
120.05564	3.1
120.08087	1.2
120.08896	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03933	3.4
64.19843	1.0
65.03942	4.8
65.82255	0.8
70.67673	1.7
78.04691	2.4
79.05488	9.5
91.05475	100.0
91.73096	0.7
92.04999	0.9
92.05813	2.3
93.07038	5.2
95.04965	5.3
103.05456	12.7
104.05661	1.3
104.06248	15.6
105.04504	1.1
115.05444	5.2
117.07020	23.4
119.08570	93.1
120.04456	1.2
120.05566	1.8
120.08109	1.2
120.08925	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	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
59.06119	3.2
65.03935	5.7
71.70507	0.6
71.70924	0.9
77.03559	0.7
78.04700	1.1
79.05484	7.4
91.05475	100.0
92.05811	3.0
93.07033	6.2
95.04955	4.0
103.05462	13.5
104.06243	10.8
105.04513	1.3
109.06501	2.4
109.28096	0.7
115.05443	5.8
117.07013	39.7
118.07342	1.1
119.04952	1.7
119.06062	2.5
119.08573	76.4
120.05601	1.9
120.08131	0.8
120.08910	2.7
121.06511	0.9
134.57404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02371	0.4
53.03927	0.5
56.05013	0.7
56.96547	0.4
58.06608	0.3
59.06120	13.8
60.04520	3.6
61.02920	0.8
63.02361	0.4
65.03936	16.6
66.03458	0.4
70.29758	0.3
71.69270	0.5
72.04534	0.4
74.06080	1.2
77.03515	0.4
78.93101	0.6
79.05477	1.2
87.05604	2.4
91.05474	100.0
92.04987	1.4
92.05811	4.0
93.04490	0.6
93.07016	0.7
95.04970	0.6
97.04837	0.3
101.07145	0.5
102.61855	0.3
103.05466	2.2
104.06230	0.6
105.71064	0.3
109.06519	0.4
110.05984	0.3
117.07010	1.3
119.04935	23.4
119.06032	2.3
119.08583	6.0
120.04443	1.3
120.05547	3.2
120.08102	1.6
121.04003	0.4
132.55927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02375	0.9
53.03939	2.8
54.35441	0.5
55.73407	0.5
58.53244	0.5
59.05837	0.9
59.06121	13.7
59.06416	0.7
60.04518	1.8
61.02901	0.9
61.31423	0.5
65.03939	6.0
67.05515	0.6
67.36269	0.5
69.40887	0.5
71.48790	1.3
74.06052	0.6
75.67093	0.5
78.04704	1.5
79.05491	7.0
87.05585	2.3
91.05476	100.0
92.05018	2.6
92.05788	3.8
93.04530	0.8
93.07043	4.4
95.04944	3.6
96.05273	0.8
100.14046	0.5
101.07220	0.7
103.05461	11.6
104.06245	11.7
105.04497	0.6
109.06518	1.3
115.05463	5.1
117.07015	15.7
119.04934	2.7
119.06187	2.7
119.08576	75.6
120.04443	0.7
120.05569	4.3
120.08098	1.6
120.08906	3.2
131.06085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.54002	0.4
53.03926	0.6
60.94738	0.5
63.02357	0.6
65.03935	19.9
66.04251	0.9
68.22078	0.4
69.70835	1.6
69.71246	1.5
77.03512	0.5
79.05474	1.1
91.05472	100.0
92.05004	0.9
92.05811	3.3
93.59856	0.4
95.04964	0.5
103.05461	1.6
104.06221	0.8
109.06498	0.5
117.07012	1.1
119.04934	26.9
119.06026	1.4
119.08565	6.4
120.04442	1.1
120.05518	2.5
120.08103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.30135	0.4
53.03937	0.7
53.51043	0.4
65.03937	19.1
73.25672	0.4
74.06079	0.4
78.51254	0.4
78.80485	0.4
79.05486	1.3
84.10521	0.5
91.05473	100.0
92.04994	1.0
92.05821	3.7
95.04945	1.0
96.05294	0.7
98.21407	1.1
103.05452	1.1
104.06241	1.1
109.06482	0.7
115.05453	0.5
117.07023	2.8
119.04939	24.8
119.06020	1.9
119.06786	0.7
119.08564	7.3
120.04424	1.1
120.05432	1.8
120.08099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03938	0.7
54.04267	0.4
60.27727	0.3
63.02348	0.4
65.03938	14.7
66.04264	0.5
71.55812	0.4
71.72233	0.5
79.05489	1.7
87.44057	0.3
89.03936	0.5
91.05476	100.0
92.04993	1.4
92.05807	3.1
93.07071	0.6
95.04970	1.5
95.54330	0.3
96.04485	0.4
96.05303	0.7
103.05463	2.0
104.06243	1.4
109.06536	0.9
115.05443	0.7
117.07030	3.8
117.50037	0.3
119.04942	18.2
119.06038	2.3
119.06859	1.4
119.08570	10.5
120.04491	1.1
120.05561	3.3
120.08125	1.1
120.08932	0.7
121.04038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03936	0.6
53.77819	0.3
63.02344	0.4
65.03935	19.7
66.04265	0.4
71.45466	0.6
71.45807	0.3
77.03535	0.6
78.78448	0.3
78.93124	0.4
79.05476	0.8
91.05473	100.0
92.05016	0.9
92.05795	3.3
92.85846	0.3
93.04533	0.4
93.07037	0.5
103.05486	1.2
104.06247	1.1
109.06515	0.9
111.04427	0.5
117.07047	1.7
119.04937	28.3
119.05957	0.9
119.08566	5.6
120.04465	0.4
120.05473	1.7
120.08057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04268	0.3
59.06100	0.3
65.03934	19.4
70.32965	1.5
74.06104	0.4
77.03534	0.6
77.03967	0.4
79.05484	1.0
91.05470	100.0
92.04997	1.0
92.05799	3.8
93.04513	0.4
93.07031	0.4
95.04949	0.8
96.05296	0.5
103.05455	1.3
104.06251	1.1
105.70113	0.3
109.06522	0.7
111.04421	0.5
114.10532	0.3
115.05455	0.5
117.07011	2.2
119.04932	25.6
119.06015	1.9
119.08569	8.4
119.09435	0.5
120.04452	0.8
120.05514	2.8
120.06425	0.4
120.08097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46444	0.2
53.03932	0.5
56.05048	0.3
59.06121	0.8
65.03938	17.9
65.44191	0.3
66.04272	0.6
67.05483	0.3
70.43858	0.3
70.44186	1.3
72.95023	0.3
74.06096	0.3
77.03510	0.8
77.03909	0.4
79.05491	1.2
82.67384	0.3
87.05579	0.3
90.22602	0.3
91.05476	100.0
91.24468	0.3
92.04988	1.5
92.05799	3.6
93.04545	0.4
93.07012	0.7
95.04959	0.9
96.05272	0.3
98.20802	0.3
103.05453	2.1
104.06250	1.1
104.24942	0.3
109.06512	1.5
115.05444	0.5
116.24764	0.3
117.06986	3.2
119.04929	22.6
119.06037	3.4
119.06794	0.5
119.08573	10.2
119.09436	0.5
120.04445	1.1
120.05524	3.6
120.08092	1.1
120.08865	0.5
121.03945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
56.65309	0.4
57.42183	0.4
65.03934	20.6
70.11673	1.2
70.12093	1.2
74.99570	0.4
91.05470	100.0
92.04971	0.7
92.05801	3.0
95.04947	0.5
103.05459	0.9
109.06493	0.4
117.07023	1.1
119.04930	30.0
119.08547	3.3
120.04469	0.5
120.05337	1.6
129.04446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	22.7
66.04251	0.5
70.81423	0.9
70.81811	1.0
71.81264	0.4
91.05471	100.0
92.05817	3.5
95.04991	0.8
98.77225	0.4
111.04480	0.5
119.04933	31.1
119.08583	1.3
120.04502	0.6
120.05382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03947	0.9
63.15561	0.4
63.44992	0.4
65.03934	19.3
66.92711	0.3
77.03527	0.8
79.05494	1.2
91.05473	100.0
92.05007	1.3
92.05814	3.5
93.07036	0.8
95.05020	0.6
96.05308	0.8
103.05477	0.9
104.06219	1.0
106.04837	0.4
109.06509	0.6
109.17359	0.4
110.06043	0.5
111.04501	0.4
115.05440	0.9
117.07008	2.7
119.04936	25.1
119.06035	2.6
119.08561	8.2
120.04447	1.0
120.05507	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15316	0.4
58.68099	0.4
65.03935	20.4
70.03505	2.1
72.00874	0.3
74.06031	0.4
75.02341	0.3
79.05483	0.8
91.05470	100.0
92.04999	0.9
92.05800	3.9
95.04936	0.6
96.97718	0.4
100.03556	0.4
103.05447	0.7
111.04449	0.6
117.06966	1.8
119.04930	31.4
119.05969	1.4
119.08561	4.6
120.04478	0.7
120.05467	1.9
120.08067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33223	0.3
53.03922	0.5
55.01878	0.4
55.98189	0.3
65.03936	16.9
70.06535	2.0
74.06038	0.4
77.03517	0.6
79.05502	1.7
90.45484	0.3
91.05474	100.0
92.05002	1.0
92.05804	3.4
93.07029	0.6
95.04956	1.3
96.05298	0.4
103.05457	2.1
104.06254	1.6
109.06512	0.6
113.03274	0.3
115.05455	0.8
117.07020	3.9
119.04939	23.1
119.06036	2.3
119.06805	0.9
119.08567	13.2
120.04481	0.8
120.05546	2.9
120.08122	0.8
120.08889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02368	8.0
53.03942	50.4
54.04274	2.0
55.71365	2.0
71.51488	4.1
77.03919	10.3
81.03411	5.8
91.05466	13.5
95.04963	100.0
96.05323	3.7
105.04509	23.2
115.05492	2.5
117.07025	2.9
118.06529	67.1
119.06085	3.0
119.06881	4.1
119.08556	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87109	9.1
56.96564	44.6
59.06121	19.4
62.94065	7.9
65.03935	15.8
67.05502	19.8
69.03434	47.1
71.68077	15.5
75.27731	9.6
79.05439	9.0
82.01431	21.8
83.04967	25.4
87.53485	12.2
91.05476	47.6
91.53737	25.3
93.03424	17.4
100.02485	100.0
100.54262	8.7
101.00887	14.2
102.45451	9.9
103.02437	21.2
105.53442	26.9
107.05255	12.1
111.02000	8.9
111.04454	22.8
111.94045	9.2
116.05769	12.1
118.03504	81.1
119.01923	79.3
119.03662	13.1
119.08579	10.9
121.03502	15.1
133.03421	10.2
137.02971	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
65.03938	21.1
66.04278	0.6
71.03192	0.3
71.40092	0.7
73.55959	0.3
91.05476	100.0
92.05815	3.7
95.04977	0.6
103.05470	0.7
111.04473	0.6
117.07015	0.8
119.04939	30.8
119.08568	2.7
120.04491	0.5
120.05205	1.5
121.04041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04497	45.6
85.02908	1.2
85.04847	0.7
86.06066	3.1
86.09699	95.5
87.09986	0.7
102.05526	1.3
111.00807	0.6
114.05532	2.3
130.05002	11.5
132.10196	58.9
135.55974	0.5
139.03923	2.2
142.04996	7.6
151.03900	1.2
152.10693	2.4
153.01825	6.0
169.08629	3.8
170.11809	1.0
198.11238	16.1
199.03893	1.2
203.03415	0.6
243.13423	2.0
244.11801	14.6
244.14156	1.1
245.04388	1.3
261.14453	100.0
262.14822	1.9
271.06085	0.6
287.05472	8.6
299.05444	2.0
333.32764	0.6
425.08640	1.4
487.83115	0.6
753.34631	0.6
779.76294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60929	1.1
53.03934	2.0
53.63960	1.2
55.05499	4.4
56.01373	1.5
56.05027	7.6
56.96564	32.9
57.03434	2.9
58.02953	4.1
58.06594	19.7
59.05000	7.1
59.06122	100.0
60.04524	11.3
60.06458	1.6
60.95844	1.2
69.03423	5.2
70.02930	2.1
70.06592	8.0
71.04979	2.6
71.06125	2.3
71.06920	13.6
71.34512	1.1
71.50592	1.7
71.95243	3.1
72.04516	5.8
72.08151	17.2
72.73618	1.0
73.49482	1.0
74.06059	5.7
74.09707	1.1
74.93823	1.6
75.05596	24.6
76.04005	8.1
76.07641	23.1
76.37541	1.1
76.93363	11.8
81.04498	1.7
82.06579	1.6
84.04479	2.5
87.09236	4.1
91.05452	2.2
94.94398	4.1
95.04967	2.0
98.97577	31.3
99.04446	1.6
99.05582	4.5
99.09174	1.4
100.03963	2.4
100.07620	8.4
115.05444	4.9
116.98613	27.0
117.06551	12.0
117.10252	28.6
117.95979	1.7
118.03545	1.4
118.06521	3.1
128.63924	1.1
134.99654	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	1172.5989
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03408	20.0
81.07049	5.7
82.34282	0.2
83.04974	1.2
83.06086	0.7
83.08118	0.3
83.08611	6.2
84.04494	9.7
85.02898	2.3
85.04008	1.1
85.06528	0.4
85.10172	3.4
86.00646	0.3
86.99030	1.5
88.02220	1.0
89.06009	0.5
91.03971	1.1
91.05470	5.0
92.01685	0.4
93.07031	2.2
95.04957	6.2
95.08594	6.6
96.04440	0.2
97.01123	0.3
97.02882	2.6
97.06497	0.3
97.10152	1.7
98.00632	0.2
99.05538	0.2
99.07146	0.2
100.02197	0.3
102.05535	0.3
103.07557	0.3
105.07011	3.5
107.04946	1.9
107.08581	1.3
108.04478	0.3
109.02905	0.3
109.06491	0.8
109.10147	3.0
111.02642	0.2
111.04404	0.6
111.08060	1.7
111.11670	0.3
112.02154	0.3
112.03922	0.3
113.03489	0.4
114.03717	0.7
115.05430	0.5
116.01664	12.6
117.06991	0.6
119.04900	0.4
119.08562	3.1
121.06458	0.8
121.10153	1.3
122.05965	0.2
123.04421	0.4
123.08064	0.3
123.11686	1.6
124.02148	0.3
125.09592	0.3
126.05504	0.5
127.03931	0.9
128.06146	0.3
128.07042	0.4
129.07018	3.1
130.04988	8.3
131.04486	0.8
131.08557	2.5
133.06473	1.0
133.10118	1.3
134.05962	0.4
135.08064	0.2
135.11646	0.2
136.07533	0.2
137.05940	0.2
137.09583	0.4
137.13254	0.5
140.01601	0.2
141.04794	0.6
142.03207	6.5
142.07759	0.7
144.01132	7.2
145.04944	0.5
145.06122	0.6
145.10097	0.5
146.02664	0.3
146.08098	0.3
147.08032	0.9
147.11665	2.2
149.09625	1.2
151.14822	0.3
153.06509	0.2
157.10118	3.2
162.02185	24.0
163.02475	0.2
163.06012	0.5
163.11153	0.5
165.12729	0.9
169.06108	0.2
170.02699	2.6
175.11166	2.8
177.03279	3.4
179.04836	39.9
180.05162	0.3
181.06155	0.4
185.03821	0.7
186.02240	0.3
187.05319	1.8
193.12224	9.8
194.12613	0.2
199.05293	0.2
205.06384	0.3
207.13925	0.2
208.06036	0.7
211.13216	0.9
213.36017	0.2
215.04829	1.9
216.03218	0.4
227.05034	0.2
231.04306	0.7
231.13835	0.2
233.05882	11.6
234.06265	0.3
235.13330	0.4
238.07076	0.4
239.23714	0.8
243.04381	0.5
245.05908	3.0
249.14835	0.6
256.08203	0.2
257.24759	1.0
259.13254	0.2
266.12036	0.3
267.15887	30.6
268.16223	0.6
273.14835	0.2
276.15903	0.2
288.06522	0.5
289.04910	0.6
290.08014	1.0
291.06400	1.7
294.17081	0.2
301.14264	0.4
306.07489	0.7
308.09070	100.0
309.09378	1.8
309.16876	0.9
313.27332	30.8
314.27655	1.4
319.15604	0.2
341.10117	1.1
350.10175	0.9
363.53259	0.2
386.10138	0.7
389.21625	0.2
395.11276	0.2
396.19910	0.2
434.12372	0.4
452.13385	1.1
470.07715	0.2
470.14294	3.5
470.20551	0.3
481.27710	0.2
505.38843	26.3
506.39224	1.4
523.40063	0.9
547.39966	1.2
601.40802	0.5
613.40363	0.2
631.41650	0.5
634.42816	0.5
649.42383	0.3
683.42578	0.5
696.33771	0.2
700.42554	0.6
701.43359	1.0
755.45605	0.3
812.46716	1.3
830.48151	3.9
831.47174	0.3
846.46753	0.3
847.47522	0.4
848.48615	1.3
863.49426	0.2
917.50232	0.2
992.53729	1.4
1154.57080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
56.96554	0.1
58.06591	0.5
58.47522	0.1
59.04984	0.2
59.06118	1.1
64.12621	0.1
68.05020	0.4
69.94041	0.2
69.94436	0.3
70.06584	100.0
71.06285	0.3
71.06910	2.1
72.08148	0.3
74.02435	0.1
76.07630	0.8
98.06042	0.2
100.07635	0.1
105.59641	0.1
108.07496	0.1
116.07077	8.2
117.07438	0.2
117.10226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60929	1.1
53.03934	2.0
53.63960	1.2
55.05499	4.4
56.01373	1.5
56.05027	7.6
56.96564	32.9
57.03434	2.9
58.02953	4.1
58.06594	19.7
59.05000	7.1
59.06122	100.0
60.04524	11.3
60.06458	1.6
60.95844	1.2
69.03423	5.2
70.02930	2.1
70.06592	8.0
71.04979	2.6
71.06125	2.3
71.06920	13.6
71.34512	1.1
71.50592	1.7
71.95243	3.1
72.04516	5.8
72.08151	17.2
72.73618	1.0
73.49482	1.0
74.06059	5.7
74.09707	1.1
74.93823	1.6
75.05596	24.6
76.04005	8.1
76.07641	23.1
76.37541	1.1
76.93363	11.8
81.04498	1.7
82.06579	1.6
84.04479	2.5
87.09236	4.1
91.05452	2.2
94.94398	4.1
95.04967	2.0
98.97577	31.3
99.04446	1.6
99.05582	4.5
99.09174	1.4
100.03963	2.4
100.07620	8.4
115.05444	4.9
116.98613	27.0
117.06551	12.0
117.10252	28.6
117.95979	1.7
118.03545	1.4
118.06521	3.1
128.63924	1.1
134.99654	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	112.9671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.1
54.03476	0.5
54.93834	1.8
55.01873	0.5
55.05516	0.2
56.05027	0.5
56.96561	3.7
57.03437	0.8
57.03669	0.1
58.06599	0.5
58.99855	0.2
60.04519	0.3
65.03941	0.1
65.52195	0.1
67.01856	0.4
67.02975	0.1
67.05491	0.7
68.05031	0.8
69.01921	0.1
69.03435	0.6
69.04537	0.2
69.96156	0.1
70.02944	0.4
70.06590	1.5
70.94234	0.1
70.97396	0.2
71.01301	0.1
71.04987	0.3
71.06118	0.3
71.94096	100.0
72.04504	0.5
72.08156	0.4
72.52966	0.1
72.93783	7.5
73.02919	0.3
73.05299	0.4
73.94508	0.2
74.04814	1.1
77.00908	0.2
78.52955	0.3
79.05496	0.2
80.52686	0.2
81.03427	0.2
81.05814	0.2
82.01442	0.2
82.02675	0.2
83.06092	0.7
83.97624	0.2
84.04510	0.2
84.52917	0.1
85.02917	0.2
85.07668	0.3
86.06064	0.4
86.52681	0.2
88.02666	0.2
89.95131	8.7
90.94817	2.1
95.01308	0.3
95.01945	0.1
95.04939	0.2
95.06097	0.7
96.00877	0.1
96.04483	0.3
96.06895	0.2
96.08109	1.0
99.94737	0.1
100.02477	1.3
101.00877	0.4
101.02499	0.1
102.02332	0.3
103.02441	0.1
105.00332	0.1
107.96181	1.1
108.95853	0.4
109.02903	0.2
111.02934	0.7
112.96708	4.2
113.00915	0.2
113.02362	5.0
113.03497	0.6
113.05946	0.3
113.07143	0.9
113.10762	0.7
113.96384	0.4
114.06649	0.5
114.09155	0.4
115.02424	0.2
118.03490	0.8
119.01907	1.5
120.03338	0.2
121.02843	0.2
130.97742	2.1
131.01894	1.2
131.97414	0.3
132.05067	0.4
133.03481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	cytosine
Peak:m/z	Relative Intensity
50.23179	0.2
52.01905	0.3
53.00302	0.3
53.03963	0.2
54.93827	0.7
55.01871	1.1
55.05511	0.7
55.93516	0.4
56.02207	0.2
56.05026	1.2
56.05840	0.5
56.96559	11.1
57.03428	1.6
57.04538	0.5
57.07045	0.2
58.06589	0.7
65.03916	0.2
67.01862	2.5
67.02970	1.3
67.05497	1.9
68.01381	2.3
68.05036	0.9
68.05835	0.3
68.99779	0.4
69.03427	5.9
69.04545	9.7
69.07062	0.8
70.02946	40.1
70.06583	2.4
70.94253	2.5
70.95862	1.1
70.98119	0.5
71.02476	0.3
71.04983	0.7
71.70155	0.3
71.94093	50.2
71.95241	0.7
73.05293	0.3
75.01064	0.3
81.03408	0.7
81.04525	0.3
82.06573	0.8
83.01317	0.4
83.04948	0.2
83.06110	0.4
84.01567	0.6
84.04499	1.3
84.05310	0.6
84.08136	2.6
84.96014	0.2
85.02914	0.8
85.04016	0.4
85.06552	0.3
85.07641	0.3
86.06050	0.6
88.51590	0.3
88.95300	0.9
88.96897	0.2
88.99181	0.2
89.00757	0.6
89.95138	5.0
94.04049	3.7
94.06558	0.8
95.01423	3.6
95.02441	34.1
95.06054	0.5
95.08585	0.4
96.00843	26.8
96.04476	0.2
96.08117	0.3
97.02892	0.4
97.52097	0.4
98.01294	0.4
98.97569	0.3
99.04437	0.2
100.02484	0.6
102.50104	0.3
104.01285	0.2
106.96347	0.3
107.96167	0.7
109.02859	0.3
110.01252	0.5
112.05080	100.0
112.07590	8.6
112.09542	0.5
112.11238	1.1
112.96707	2.2
113.02358	46.9
113.03475	59.7
113.05411	1.3
113.07081	0.4
113.10709	0.2
115.02444	0.3
115.97810	0.2
116.98663	0.2
118.03506	0.5
119.01892	0.3
128.46330	0.2
128.98595	0.3
130.97745	1.4
131.01860	0.4
134.99728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0442
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03936	3.5
54.03318	0.8
55.01864	2.7
55.05506	48.2
56.05842	1.1
65.03925	7.3
65.82159	0.6
67.05476	0.7
69.03411	1.4
69.07072	0.7
69.37591	3.7
69.38026	4.5
70.06573	1.9
70.94250	0.9
83.04971	22.4
88.00480	3.9
89.00224	1.0
93.07020	0.8
97.00993	7.4
98.00755	0.8
100.66038	0.6
111.04430	100.0
111.08119	0.9
111.09170	3.4
112.04765	2.3
112.07578	1.5
112.08689	0.8
115.96429	4.6
116.97229	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01871	1.7
55.05508	51.0
56.05852	1.0
57.14819	0.4
65.03937	7.2
65.04254	0.6
69.03408	0.7
69.07072	0.5
70.06594	0.8
70.94267	0.5
71.64523	0.8
73.50404	0.3
75.82655	0.4
81.03404	0.5
82.04206	0.4
83.04975	21.5
84.04494	0.4
88.00485	2.9
89.34321	0.4
93.03404	0.7
97.01001	3.7
99.51282	1.0
111.04436	100.0
111.09194	0.7
112.04737	2.6
112.07627	0.8
115.96429	2.0
116.97208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0442
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
52.55254	0.8
53.03937	2.6
55.01869	2.0
55.05508	50.0
56.05826	1.2
57.02330	0.7
65.03938	6.5
71.70242	0.7
82.04188	1.0
83.04977	23.0
88.00510	1.6
97.01019	2.5
111.04435	100.0
111.09213	0.8
112.04770	2.1
115.96414	1.5
121.80494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0442
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03950	3.5
54.33824	0.6
55.01858	2.5
55.05508	47.7
56.05860	0.9
63.52868	0.6
65.03941	7.3
67.05485	1.3
69.03408	1.2
69.07056	1.3
69.62146	0.8
69.62554	4.9
70.06580	1.6
80.38414	0.7
82.28600	0.5
83.04972	21.1
88.00476	7.6
89.00253	1.0
93.07045	0.9
97.00992	9.0
98.00751	1.4
98.21447	1.3
99.51260	1.4
108.51777	0.9
111.04436	100.0
111.08080	2.4
111.09212	1.2
112.03983	1.2
112.04770	2.2
112.07580	1.7
115.96455	5.7
116.97211	2.0
117.95972	0.7
118.80777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0443
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03937	2.7
55.01857	2.4
55.05506	50.9
56.05031	0.6
56.05823	0.7
58.04224	0.4
65.03931	7.0
65.23671	0.5
68.86358	0.6
69.03424	1.3
69.07063	1.0
70.06588	2.6
70.94256	1.2
81.03391	1.0
82.04200	0.6
83.04468	1.2
83.04972	24.5
84.04490	0.7
84.05302	0.9
88.00475	6.9
89.00221	0.8
93.03394	0.6
93.07048	0.6
97.00992	9.7
97.34473	0.6
97.54379	0.6
98.00762	1.3
98.20673	1.3
99.51286	2.7
106.01511	0.7
111.04433	100.0
111.08047	1.4
111.09184	3.6
112.04010	1.2
112.04790	2.1
112.07585	2.2
112.08727	0.7
115.96435	4.8
116.97200	1.5
117.96029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03762	0.4
53.03943	4.0
55.01867	2.1
55.05506	46.6
56.05029	0.6
56.05832	1.1
65.03934	6.2
67.05487	1.0
68.05008	0.6
69.03426	2.0
69.07052	1.7
70.06583	2.6
70.94248	1.1
78.99919	0.6
81.03407	0.6
83.04972	22.9
84.08163	0.6
85.02878	0.6
88.00478	9.3
89.00246	1.8
91.05455	0.7
93.03378	1.1
93.07021	0.7
97.00991	11.7
98.00774	2.7
99.51263	2.9
106.01524	1.4
107.99300	0.4
108.51792	1.5
110.07169	0.6
111.04432	100.0
111.08050	1.7
111.09181	5.2
112.03976	1.3
112.04773	2.9
112.07592	3.1
112.08718	0.9
115.96431	6.0
116.97195	1.9
117.95994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03411	3.4
83.04948	1.3
85.02871	0.7
89.03905	3.6
91.05475	1.5
95.04959	1.7
99.04408	0.6
103.05450	0.9
105.03369	2.0
105.06976	0.6
107.04955	1.1
109.02860	5.5
111.00794	11.1
111.04419	1.4
111.97444	0.5
115.05464	1.4
117.03367	7.1
119.04928	1.3
121.02839	2.3
123.04419	16.1
125.02325	0.6
127.03903	47.2
128.04243	0.8
131.04930	2.1
133.02835	4.3
135.04395	2.2
137.02335	1.0
137.05920	1.6
139.03888	100.0
140.04221	1.0
141.06964	1.0
145.02827	12.5
147.04395	7.0
149.02321	4.3
149.05971	2.7
150.03000	1.0
151.03894	45.2
153.01831	2.5
153.05447	0.9
155.03395	7.4
157.06503	0.9
159.04413	1.7
161.02290	1.5
161.05983	3.1
163.03909	9.9
165.05486	1.9
167.03384	1.6
167.04828	0.7
167.07024	0.5
169.04913	1.7
169.06328	0.8
171.04405	3.2
173.05952	1.1
175.03877	8.4
177.01917	1.1
177.05453	34.7
178.05830	0.5
179.03378	51.7
180.03732	1.2
181.04939	1.6
185.05969	2.1
187.03842	1.7
189.05482	4.8
191.03360	5.7
193.04987	2.5
193.06494	0.5
197.05937	1.9
199.03885	4.8
201.05420	3.5
203.03384	20.9
203.07014	0.7
205.04921	4.8
211.03987	1.0
213.05484	5.1
215.03392	1.8
217.04994	6.3
219.02919	1.2
219.06538	1.5
221.04391	1.2
223.02264	3.0
225.05414	1.0
227.03333	2.3
229.04945	5.4
231.02780	0.9
231.06471	2.9
233.04347	2.9
237.05399	0.6
239.03395	0.6
241.04945	4.3
243.06517	0.7
245.04437	73.2
246.04742	1.2
247.02336	0.7
247.05965	1.9
249.03888	1.2
253.04932	1.9
255.02785	0.6
255.06381	0.6
257.04419	11.1
258.05182	0.9
259.06042	2.7
261.07684	0.9
263.05487	43.1
265.05023	0.7
269.04395	5.8
270.04926	0.8
271.03131	0.7
271.05887	4.5
273.03897	1.2
275.05475	15.2
277.07077	2.6
281.04361	1.9
283.05890	1.3
285.03906	1.6
286.04623	0.7
287.05460	56.3
288.05850	1.5
289.03836	0.9
289.07037	16.1
293.04471	0.8
295.05923	1.5
297.03812	1.8
299.05469	21.0
301.07010	1.7
303.04919	1.2
305.06567	18.8
307.05914	1.3
309.03793	0.8
311.05530	3.2
313.07175	1.4
317.02768	0.9
317.06506	16.3
321.03821	0.9
321.07425	1.2
323.05374	2.2
327.04935	0.6
329.06537	1.6
331.05927	1.5
335.05331	0.6
337.07175	0.8
339.04922	1.6
341.06610	0.7
349.06912	1.2
351.04788	1.1
361.06992	1.0
365.06409	0.9
377.06604	1.5
381.05817	0.9
389.06253	1.2
393.05957	2.3
395.07672	2.9
395.12634	0.5
399.07019	1.3
405.05930	6.5
407.07556	7.2
411.07004	1.3
413.08649	5.8
417.05814	1.2
419.07779	0.7
423.07086	18.9
425.08636	23.6
426.08740	1.0
435.06967	4.2
437.08652	2.1
441.08090	9.1
443.09628	9.5
446.93027	0.6
447.06927	1.9
449.08551	2.1
453.08133	3.4
455.09262	1.1
465.08218	3.3
467.09622	2.9
483.12457	1.8
543.08862	1.9
549.10126	2.7
557.16205	0.9
561.09998	1.2
567.10211	1.5
573.09821	1.7
585.09900	1.9
593.12921	1.0
603.11108	1.4
619.13934	1.9
693.11816	1.2
711.12811	1.7
713.70227	0.8
729.14276	1.2
737.14368	0.8
830.90417	0.7
905.18140	1.0
923.18750	1.3
923.79016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00318	0.7
53.03952	4.2
55.05507	12.4
65.03933	5.2
67.05499	100.0
68.05007	3.1
68.05833	2.1
69.04557	1.5
69.07065	6.4
71.28984	1.2
71.29321	0.5
79.05483	10.7
80.05019	0.6
80.06291	1.3
81.03418	4.8
81.07051	32.7
82.06569	1.9
82.07391	0.6
83.06117	0.7
86.50615	0.9
87.00443	2.5
91.05455	1.5
94.04173	1.2
94.07808	1.8
95.92422	0.5
107.04965	0.6
107.08596	4.1
109.02866	1.3
109.06520	4.8
109.07640	5.2
109.10149	36.4
110.06055	3.0
110.07156	4.5
110.10484	1.4
113.96372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.8
53.03944	6.6
54.03471	0.6
55.05502	11.3
65.03938	4.4
67.05498	100.0
68.05024	3.8
68.05833	2.4
69.04561	1.8
69.07060	6.8
70.25348	2.9
75.87478	0.5
79.05488	10.3
80.06271	1.2
81.03406	7.3
81.07049	36.2
82.06578	3.3
83.06113	0.8
86.84503	0.5
87.00457	1.8
91.05476	1.4
94.04164	1.0
94.07841	0.8
105.07025	0.6
107.04936	0.7
107.08595	3.5
109.02880	1.9
109.06516	5.1
109.07648	6.4
109.10146	36.9
110.06034	2.9
110.07146	5.1
110.10482	1.9
113.96405	1.0
119.06116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00307	0.4
53.03941	2.0
55.05505	10.7
57.60527	0.4
57.86187	0.4
61.39798	0.4
64.04276	0.5
64.04975	0.4
65.03934	4.7
65.09500	0.4
67.05499	100.0
67.11819	0.4
68.05838	2.4
69.07063	7.0
70.33392	0.4
71.16787	0.9
79.05488	9.5
80.06271	1.5
81.03419	1.5
81.07050	31.1
82.07379	0.8
91.05482	1.2
94.04217	0.5
94.07802	1.5
104.09269	0.4
107.08588	5.0
109.06505	0.6
109.10148	42.6
110.10482	1.8
110.25305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03691	0.7
53.03943	13.3
55.01868	7.4
55.05516	3.7
65.03934	5.3
66.04710	1.5
67.05499	25.9
68.05023	4.8
68.23715	0.6
69.04543	3.1
69.07059	1.9
70.54177	0.5
73.23970	0.6
78.97497	0.4
79.05487	44.7
80.05822	0.8
81.03025	0.4
81.03411	14.1
81.07050	40.0
82.04877	0.5
82.06574	3.3
82.07396	1.0
83.06070	1.1
86.50630	0.8
87.00454	5.2
90.76984	0.5
91.05473	14.4
94.04183	5.0
95.04957	1.7
98.51258	1.4
107.04948	1.5
107.08612	0.8
109.02895	2.7
109.06511	100.0
109.07587	6.5
109.10152	9.9
110.06094	4.8
110.07190	10.7
113.96389	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02365	1.4
51.95579	0.3
53.03940	10.0
55.01872	2.4
65.03930	1.8
65.18345	0.3
66.01571	0.4
67.04239	0.3
67.05482	0.6
70.03152	0.6
70.03562	1.4
77.03928	1.7
79.05485	17.5
80.05000	3.1
80.05779	0.5
81.03413	1.8
81.04518	0.4
91.05470	13.5
92.06248	0.4
93.05769	0.5
95.04957	19.0
96.04501	0.4
96.05267	0.4
105.04509	4.1
105.07019	3.5
105.53953	0.3
107.04942	100.0
107.08573	4.1
108.04463	1.5
108.05293	3.5
108.08147	2.1
109.06509	1.8
119.06045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03942	9.1
55.01865	1.8
65.03937	3.8
66.92167	0.4
67.04234	0.8
67.05496	1.1
69.23816	0.4
70.02785	1.9
77.03916	1.7
79.05483	19.1
80.05009	5.6
80.05782	0.7
81.03391	1.5
81.04528	0.4
91.05471	22.1
92.06283	0.4
93.05783	1.4
95.04960	18.5
96.04465	1.1
105.04506	4.0
105.07021	5.9
106.06528	0.5
107.04943	100.0
107.06108	2.5
107.08576	5.7
108.04472	2.4
108.05302	2.0
108.08109	2.6
109.06513	4.2
117.43817	0.4
118.06586	0.5
119.06055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01585	0.5
51.02365	1.1
53.03940	9.6
55.01859	2.0
57.13467	0.3
65.03941	2.1
67.05499	0.4
71.28372	0.4
71.28735	0.8
72.75616	0.3
77.03901	1.8
79.05482	16.0
80.05004	4.1
81.03406	1.1
91.05472	14.3
91.06049	0.5
92.06283	0.5
93.05788	1.2
95.04960	17.0
96.05313	0.5
105.04513	4.1
105.07025	4.3
107.04942	100.0
107.08583	3.4
108.04478	1.5
108.05309	2.8
108.08100	2.7
109.06503	2.0
119.06044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02371	1.1
53.03943	7.9
54.04255	0.3
55.01869	2.1
61.95229	0.1
65.03934	1.2
67.04243	0.1
67.05485	0.3
71.72733	0.2
77.03924	1.7
78.04733	0.1
79.01856	0.2
79.05487	15.8
80.05006	1.9
80.05820	0.4
81.03409	1.4
81.04529	0.1
91.05473	7.3
92.06292	0.2
93.05785	0.5
95.04960	18.9
96.04482	0.4
96.05283	0.5
105.04510	4.2
105.07021	1.9
107.04945	100.0
107.08567	1.8
108.04473	0.7
108.05296	2.8
108.08120	1.1
109.06513	1.1
118.06505	0.3
119.06054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
53.03950	0.8
53.73742	0.7
65.03921	0.8
67.01863	100.0
68.02193	1.8
71.16193	1.6
71.16528	1.0
79.05492	2.6
87.61751	0.7
91.05488	5.4
92.76753	0.9
95.04950	2.5
105.07014	2.1
107.04948	33.3
107.08610	1.4
108.04485	1.0
108.08114	0.8
109.06484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03929	1.1
79.01842	1.1
81.03401	4.7
83.04955	0.6
85.02901	0.6
91.05493	1.3
95.04969	2.6
97.02831	0.7
99.04472	1.3
105.03374	1.9
107.04963	1.0
109.02870	6.7
111.00792	11.1
111.04436	1.4
115.05425	0.9
119.04910	1.1
121.02887	2.8
123.04414	16.2
125.02342	1.0
127.03901	68.9
128.04192	0.6
131.04892	1.2
133.02834	6.4
133.06433	0.6
135.04401	2.0
139.03882	100.0
140.04205	0.8
140.95294	0.5
143.03400	1.2
145.06410	1.2
147.04390	8.4
149.02361	2.8
149.05945	1.3
150.03079	0.7
151.03889	49.8
153.01807	14.6
153.02829	0.7
153.05377	1.0
154.02194	0.6
155.03384	11.0
155.04726	1.0
157.06470	1.1
159.04381	2.1
161.02324	1.6
161.05980	1.9
163.03886	10.9
165.05487	1.8
167.03407	2.1
169.04926	1.0
171.04323	3.5
173.05966	2.0
175.03891	14.4
177.01880	1.3
177.05443	7.2
179.03369	51.0
180.03648	0.7
181.04935	4.9
183.04453	1.0
185.05914	1.7
187.03876	2.0
189.05405	5.1
191.03366	4.5
193.04930	3.8
197.06004	1.1
199.03879	6.6
200.04559	0.5
201.05455	4.6
203.03381	20.1
204.03760	0.6
205.04919	5.3
213.05447	7.4
215.03386	2.3
217.04942	7.5
219.02884	0.8
219.06462	1.7
221.04341	1.0
223.02225	2.8
225.05409	1.0
227.03386	2.4
229.04968	4.4
231.06454	3.6
233.04405	2.3
235.05913	1.4
237.05524	0.7
239.03232	0.7
241.04947	5.3
243.06583	1.5
245.04419	24.9
246.04921	0.7
247.05933	1.1
253.05037	1.6
255.06680	1.0
257.04428	18.4
258.04837	1.0
259.05890	3.2
263.05472	39.8
265.04953	0.7
267.06601	0.6
269.04425	9.2
270.04910	1.0
271.02704	1.1
271.05994	3.8
273.03854	1.0
275.05405	7.3
277.07034	5.9
281.04358	3.2
283.05984	2.4
285.04108	1.2
287.05460	64.1
288.05719	3.0
289.07010	9.5
293.04370	0.6
295.06125	1.1
297.03903	1.4
299.05472	18.9
300.06009	0.7
301.07010	1.7
303.04953	0.8
305.06540	24.7
309.03903	3.9
311.05396	6.4
313.07123	2.3
317.06528	13.3
321.04019	0.9
323.05396	1.7
327.04739	0.6
329.06641	4.3
331.08548	0.8
341.06473	2.6
349.07126	0.6
351.04810	0.8
359.07776	1.4
361.07147	1.3
363.04825	0.9
375.04956	1.3
377.06772	0.7
389.06540	1.3
393.05725	2.6
395.07462	1.0
405.06082	2.9
407.07626	6.6
417.05829	2.7
419.07977	0.8
423.06998	2.8
425.08627	25.4
426.08624	0.7
435.07266	3.7
437.08679	4.0
441.07944	1.7
443.09732	5.9
447.06757	1.3
449.08603	4.2
453.08148	2.0
455.09689	4.0
459.09225	5.7
465.08188	1.1
467.09622	7.2
477.07953	2.0
485.10641	0.8
495.09515	0.7
525.08356	1.2
543.09180	3.0
555.09076	0.8
561.10150	5.4
567.09589	0.7
573.09991	1.1
575.11298	2.2
577.09296	1.8
585.10236	2.2
593.12689	1.1
595.10956	6.7
603.11218	2.7
621.12445	0.7
637.11609	0.9
711.12976	2.1
713.10553	0.9
729.14111	1.6
747.13873	1.0
834.66498	0.6
846.60535	0.6
881.14954	1.8
899.15680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03905	1.1
79.01830	0.8
81.03408	3.6
83.04968	1.2
85.02876	0.6
89.03889	0.6
91.05464	1.2
93.03362	0.6
93.07048	0.5
95.04973	2.1
95.05447	0.4
98.21367	0.5
99.04468	0.5
103.05445	0.6
105.03346	2.4
107.04922	0.7
109.02863	5.9
111.00784	10.6
111.04417	1.3
115.05440	0.8
117.03388	0.4
119.04932	1.0
121.02832	3.0
121.06437	0.4
123.03506	0.9
123.04409	17.3
125.02348	1.1
127.03896	60.2
128.04251	1.5
131.04913	1.6
133.02829	6.6
133.06435	0.6
135.04420	2.6
137.02338	0.7
139.03879	100.0
140.04211	1.6
141.07019	0.8
143.03383	1.0
143.04854	0.6
145.02847	0.5
145.06451	1.3
147.04385	9.0
148.04729	0.4
149.02313	3.3
149.05933	1.0
151.03883	49.6
152.04236	0.9
153.01804	11.9
153.05461	1.3
155.03375	6.5
155.04713	0.9
157.02820	1.2
157.06488	1.0
159.04344	2.3
161.02312	1.9
161.05980	2.1
162.02991	0.4
163.03882	9.6
163.05161	0.7
165.01857	0.7
165.05473	1.6
167.03400	2.5
167.04639	0.5
169.04924	2.5
169.06308	0.8
171.04395	4.4
173.02226	0.7
173.05968	1.7
175.03883	12.5
176.04303	0.5
177.01860	1.4
177.05434	7.3
179.03366	51.4
180.03748	1.3
181.04942	2.6
183.04367	1.2
185.05923	2.4
187.03876	1.7
189.05458	5.6
191.03387	7.6
191.06972	0.5
193.04971	3.0
197.05922	1.5
199.03885	6.9
201.05428	4.0
203.03368	22.0
204.03760	0.7
205.04936	4.8
213.05441	6.5
215.03328	2.7
216.04103	0.6
217.04932	8.5
218.05321	0.6
219.02957	0.7
219.06459	1.8
221.04225	0.9
223.02242	2.5
225.05423	1.3
227.03336	2.5
229.04958	6.3
230.05487	0.5
231.02803	0.6
231.06442	2.7
233.04385	4.0
235.02330	0.5
235.06021	0.6
236.46387	0.4
237.05539	0.6
241.04919	4.9
242.05486	0.5
243.02769	0.5
243.06509	1.2
245.04417	64.4
246.04800	2.5
247.02371	0.9
247.05908	1.8
249.03865	0.8
253.04898	2.6
257.04401	14.7
257.06967	1.0
258.05035	1.6
259.05933	3.7
263.05466	42.9
264.05768	1.9
265.05057	1.0
269.01773	0.6
269.04437	7.4
270.05167	1.0
271.02612	0.6
271.05951	5.3
273.03891	0.9
274.04669	0.6
275.05466	14.2
277.07208	3.0
279.06451	0.9
281.04407	2.9
283.05911	1.9
285.03928	1.3
286.04379	0.5
287.05460	56.0
288.05750	3.1
289.07007	9.3
293.04373	0.9
295.05893	1.4
297.03876	2.4
297.07196	0.9
299.05447	20.8
300.05762	1.1
301.07117	1.0
303.04950	0.5
305.06516	19.8
306.06857	1.1
307.08383	0.8
309.03790	0.7
311.05389	2.5
313.06906	1.1
315.04739	0.7
317.06519	20.4
318.06851	1.4
319.05750	0.7
321.03891	1.1
321.07443	1.7
323.05444	2.5
327.04807	0.5
329.06525	1.6
331.05655	1.1
335.05106	0.6
337.06842	0.5
339.04886	1.2
347.07565	0.5
349.06955	1.4
351.04922	1.9
361.06906	0.9
363.04785	1.1
365.06552	0.9
377.06494	1.5
381.05969	0.8
387.04797	0.6
389.06311	1.3
393.05933	2.9
395.07556	1.7
399.06796	1.5
405.06015	5.0
407.07492	7.1
411.06879	1.6
413.08545	4.5
414.08746	0.6
417.05911	1.6
419.07501	1.1
423.01834	0.7
423.07117	13.5
424.07391	1.3
425.08612	23.7
426.08801	1.7
435.07108	3.1
437.08578	1.6
441.08191	7.2
443.09677	7.9
444.09772	0.7
447.06992	1.6
448.07510	0.6
449.08490	1.8
453.08130	2.4
459.09122	5.4
465.08099	3.2
467.09628	3.5
527.26166	0.4
543.09149	2.3
549.09833	1.8
561.09845	2.1
567.09998	1.5
573.10132	2.4
575.11450	0.9
577.09198	1.1
585.10028	2.5
595.10748	6.0
603.10999	1.8
693.11658	1.4
711.13910	2.1
713.11115	0.8
729.13892	1.3
881.13818	1.3
899.15680	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	1067.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
77.39692	0.3
79.01832	0.5
79.05479	0.4
81.03404	4.8
83.04956	1.1
85.02900	1.1
89.03901	0.4
91.05470	1.0
93.03387	0.6
95.01307	0.4
95.04945	1.5
97.02873	0.5
99.04434	1.0
103.05451	0.3
105.03377	2.4
107.04958	0.9
109.02860	7.8
111.00782	8.5
111.04448	1.6
115.05431	1.0
117.03349	0.4
117.07006	0.5
119.04911	1.0
121.02858	2.2
123.04413	16.7
124.04707	0.4
125.02341	0.8
127.03899	62.7
128.04260	0.8
129.06952	0.4
131.04953	1.4
133.02829	6.0
133.06461	0.4
135.04393	1.7
137.02293	1.1
139.03879	100.0
140.04236	1.5
143.03397	0.9
143.04936	0.9
145.02811	0.7
145.06487	0.9
147.04390	7.4
149.02319	3.5
149.05975	1.4
150.03136	0.8
151.03883	53.3
152.04202	1.0
153.01807	9.0
153.02834	0.3
153.05434	1.6
154.02097	0.4
155.03381	10.7
155.04828	1.1
157.02840	0.6
157.06477	1.0
159.04393	2.5
161.02298	1.2
161.05981	2.1
163.03889	9.8
165.05420	1.8
167.03386	2.4
167.04623	0.4
169.04936	2.0
169.06479	1.1
171.04424	3.2
173.02338	0.3
173.05913	2.0
175.03888	12.6
176.04475	0.3
177.01810	1.4
177.05428	6.8
179.03368	55.2
180.03752	1.8
181.04962	2.6
181.06343	0.6
183.04419	1.1
185.05977	2.3
187.03920	1.5
189.01877	0.4
189.05444	5.2
191.03355	5.9
191.07018	0.4
193.04922	3.0
197.05989	1.9
199.03883	5.6
201.05421	4.2
203.03363	21.3
205.01315	0.5
205.04927	4.1
209.05931	0.5
211.03886	0.9
213.05440	8.0
215.03342	2.4
215.06927	0.5
217.04918	6.9
218.05469	0.4
219.02867	1.3
219.06416	1.8
221.04417	1.3
223.02274	4.9
225.05449	2.1
227.03435	1.7
227.07019	0.4
229.04948	5.8
230.05396	0.4
231.02785	0.7
231.06491	3.4
233.04353	2.2
235.02336	0.7
235.05956	1.0
237.05515	1.3
239.03406	0.4
241.04944	5.2
242.05423	0.5
243.02936	0.8
243.06487	1.1
245.04425	40.0
246.04730	0.9
247.02324	1.1
247.05916	1.0
253.04898	1.9
255.02931	0.8
255.06612	0.7
257.04416	15.6
258.05121	0.8
259.05991	4.1
261.03906	0.4
263.05463	36.5
264.05817	1.2
265.04962	1.0
267.06573	0.4
269.04419	8.2
270.05032	0.4
271.03116	0.5
271.06015	4.4
273.03876	1.1
274.04565	0.8
275.05453	9.5
276.05899	0.4
277.04752	0.3
277.07117	4.1
279.06482	0.9
281.04416	2.3
283.05908	1.5
285.03879	1.5
287.05460	64.2
288.05753	2.7
289.07028	10.1
293.04382	1.5
293.07614	0.6
295.06079	1.9
297.03918	2.4
297.07104	0.6
298.04568	0.5
299.05463	27.1
300.05911	1.4
301.06946	1.3
303.04941	0.8
305.06528	24.9
306.06757	1.3
307.05328	0.6
307.08420	0.6
309.03726	1.1
311.05444	4.4
313.06851	0.5
315.04987	0.7
317.06522	22.5
318.06860	1.2
319.05774	0.4
321.03864	0.9
321.07480	1.9
323.05414	2.2
327.04868	1.2
329.06497	4.1
333.07336	0.7
335.05243	0.4
337.06998	0.6
339.05093	2.0
341.06409	0.6
345.07394	0.4
347.07474	1.5
348.05975	0.4
349.06946	1.5
351.05060	1.7
357.06024	1.0
359.05502	0.6
361.06979	1.3
363.04901	0.9
365.06525	0.7
376.05499	0.7
377.06433	1.7
379.08017	0.8
381.06000	0.9
383.07932	0.4
387.04883	0.6
389.06378	1.8
393.06018	2.5
395.07623	2.0
399.06744	1.0
405.05972	6.0
407.07568	7.6
407.12970	0.4
411.07150	1.0
413.08755	1.7
417.05917	1.4
419.07434	0.7
423.07056	12.6
424.07394	0.8
425.08627	28.2
426.09003	1.0
429.05838	0.6
431.09683	0.7
435.07053	3.4
437.08737	3.0
441.08145	9.9
442.08685	0.8
443.09650	9.6
444.09882	0.5
447.07150	2.9
449.08673	2.7
453.08102	2.3
455.09537	1.1
459.09134	5.0
460.09393	0.5
465.08145	8.6
466.08438	0.7
467.09799	4.0
477.08011	0.4
483.09109	3.3
543.09198	2.0
549.09998	1.2
555.09247	0.8
561.10077	2.6
567.11047	2.5
573.10114	2.6
575.11530	0.8
577.09247	0.7
585.10327	2.2
591.11188	2.3
593.12897	0.9
595.10760	4.8
603.11499	2.2
609.12164	1.2
615.46631	0.4
637.11902	0.5
693.11737	0.5
711.12933	1.3
713.11432	0.8
729.13782	1.5
763.14038	0.5
881.14587	1.1
899.16443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.214
Annotation	Unknow
Peak:m/z	Relative Intensity
78.44119	0.6
79.05458	1.2
81.03432	3.7
83.04970	1.1
85.02910	1.0
89.03900	1.1
91.05459	1.8
95.04962	2.6
98.20790	1.5
103.05447	0.8
105.03361	2.5
107.04916	2.6
108.01569	0.8
109.02864	6.2
111.00791	12.5
111.04441	3.9
115.05454	1.3
116.05921	0.8
117.03355	1.2
119.04930	1.1
121.02853	3.3
123.04419	41.5
123.25671	0.8
125.02317	1.1
127.03902	84.1
128.04228	0.8
131.04956	2.0
133.02809	4.2
135.04410	24.3
137.02361	1.2
139.03886	100.0
140.04216	1.3
141.07053	1.1
143.04948	0.8
145.02815	1.2
145.06502	1.4
147.04407	11.5
149.02319	5.1
149.05954	1.4
151.03894	46.2
153.01822	13.2
153.02960	0.7
155.03377	8.3
157.02850	0.8
157.06531	2.0
159.04425	3.4
161.02319	1.8
161.06013	2.4
163.03896	31.7
165.05461	3.0
167.03372	3.1
169.04967	2.4
169.06364	1.0
171.04353	3.7
173.06020	3.7
175.03893	14.0
177.05452	8.4
179.03378	45.3
180.03619	0.8
181.04988	2.6
181.06451	1.1
183.04478	1.3
185.05998	2.7
187.03838	3.8
187.07564	0.9
189.05478	7.0
191.03357	7.9
191.06949	1.0
193.04980	3.7
197.05988	1.5
199.03885	5.6
201.05469	7.1
203.03371	26.8
203.06992	1.3
205.04999	4.3
207.02864	1.5
211.04007	0.8
213.05426	6.7
215.03397	3.0
215.06956	2.1
217.04947	7.3
218.40421	0.7
219.03061	0.9
219.06490	2.6
219.08482	0.8
223.02399	3.0
225.05374	1.8
227.03419	2.2
227.06953	0.9
229.04941	10.7
229.07065	0.6
231.06491	2.8
233.04401	2.6
237.05466	1.4
241.04939	4.5
243.02899	1.1
243.06624	2.4
245.04436	80.7
246.04811	2.4
247.05989	29.4
253.04970	2.6
255.06493	2.5
257.04446	17.6
258.05115	1.4
259.05954	8.1
261.07645	0.8
263.05466	32.4
264.05807	1.1
265.05017	2.6
267.06445	0.9
269.04428	9.5
271.05960	13.8
273.04245	0.8
273.07635	4.0
274.04715	2.3
275.05466	19.7
277.07004	3.8
279.06564	0.9
281.04477	2.5
283.06009	14.1
284.06204	0.9
285.03912	2.1
285.07376	1.4
287.05466	65.9
288.05884	2.1
289.07040	19.6
295.05997	2.2
297.03839	2.8
297.07074	1.4
299.05481	14.1
301.07025	18.6
305.06549	14.5
307.05838	1.4
309.03909	2.2
309.07288	1.1
311.05524	3.7
313.07156	2.8
317.06479	5.6
321.07489	1.5
323.05533	4.6
327.04819	0.9
329.06680	1.1
331.08231	1.0
333.07410	1.3
335.05557	1.0
349.07266	1.8
351.05066	2.4
361.07062	2.6
365.06635	1.5
376.05487	1.1
377.06607	2.0
379.08105	3.2
383.07501	2.7
389.06741	2.9
391.08313	1.3
393.05972	3.6
395.07782	2.0
401.06528	1.1
405.05850	5.4
407.07550	24.4
408.07880	1.5
409.09177	19.6
411.07101	1.2
413.08609	5.1
417.06110	1.4
419.07840	4.6
421.08902	2.1
423.07022	6.8
425.08652	23.9
427.10239	7.6
433.09253	1.6
435.07233	2.2
437.08652	4.8
439.09933	1.0
441.08029	3.3
443.09628	5.2
447.07025	1.9
449.08682	4.3
451.09973	3.9
453.08133	1.4
455.09406	1.0
459.09143	3.6
465.08240	1.8
467.09738	2.6
499.94638	0.9
525.08142	1.2
527.09796	1.1
533.10754	2.6
543.09412	2.4
545.10498	1.5
549.10028	0.8
551.11749	2.5
557.10425	1.9
561.10016	2.0
575.11737	1.4
579.11292	4.3
585.10394	1.8
593.13367	1.2
595.10565	6.4
677.13409	1.1
695.13959	1.4
711.13275	1.7
713.10846	1.5
729.14325	0.8
865.16260	1.1
881.15277	1.6
883.16632	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01572	0.6
50.92365	0.5
51.02364	1.6
53.03693	0.8
53.03942	14.7
55.01875	0.7
60.08120	0.5
60.11125	0.5
65.03922	2.3
71.28896	1.1
71.29218	0.6
77.03933	3.0
79.05487	51.7
80.05811	0.9
80.69492	0.5
81.03387	0.8
92.94617	0.5
95.04960	25.6
96.04521	0.7
96.05276	0.6
100.97153	0.5
103.05459	32.2
105.04530	6.4
105.07019	100.0
105.11060	0.9
106.06543	2.4
106.07359	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01589	1.1
51.02364	1.8
53.03944	12.2
55.01870	1.6
59.06933	0.9
60.08149	2.5
61.08489	2.7
65.03915	2.4
69.84035	3.7
77.03929	2.3
79.05486	51.1
80.05811	0.9
81.03410	1.2
95.04960	26.1
96.04468	0.6
103.05461	31.9
104.05764	0.7
105.03416	1.3
105.04522	8.4
105.07021	100.0
105.10434	1.0
105.11060	10.8
106.06538	3.5
106.07356	2.6
115.02191	0.6
117.41700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	5.5
59.07374	1.6
60.08158	55.2
61.08505	0.4
62.09279	0.1
64.19305	0.2
69.03429	0.6
70.34872	0.1
70.75785	0.4
70.76113	0.2
75.37209	0.2
87.04456	0.6
87.32807	0.1
88.07620	0.2
104.10734	100.0
105.10411	0.2
105.11051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
53.03940	13.4
55.01884	0.6
56.57924	0.5
65.03923	2.0
70.25564	1.3
70.25949	1.2
77.03919	3.1
79.05484	55.1
80.05828	0.7
81.03402	1.6
95.04959	26.3
96.04473	0.8
96.51165	0.5
98.21431	0.8
103.05458	33.7
105.03413	0.9
105.04507	7.5
105.07018	100.0
105.11091	1.6
106.06543	2.8
106.07355	3.4
114.13170	0.5
118.06522	0.7
118.09245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01112	0.5
73.02898	0.7
74.00632	0.5
76.02220	53.0
76.03983	1.9
79.05032	0.8
79.05486	16.6
80.04990	1.0
81.03410	28.9
81.07047	20.2
83.04964	2.2
83.06084	0.9
83.08608	7.2
84.04494	15.6
84.04999	0.9
85.02885	1.6
85.03996	1.6
85.06538	0.5
86.99048	2.3
88.02202	1.3
91.03916	0.5
91.05470	14.4
93.07035	15.2
95.04955	9.9
95.08019	0.9
95.08595	14.1
97.01099	0.6
97.02868	1.9
97.06498	1.4
97.10149	2.0
98.21467	0.9
99.08072	1.0
103.05427	0.5
105.04487	0.5
105.07024	9.6
107.04951	2.6
107.08572	7.9
109.06488	2.1
109.10142	6.5
111.04445	0.8
111.08078	2.6
114.03754	0.7
115.05404	0.8
116.01665	16.8
117.07012	3.0
119.04876	0.6
119.08569	7.5
121.06476	1.0
121.10133	7.5
123.08048	1.0
123.11689	1.8
125.09619	1.1
129.07010	3.4
130.04022	0.6
130.04994	10.8
130.05876	0.4
131.04477	0.5
131.08562	5.7
133.06493	0.9
133.10126	4.2
135.08034	0.9
135.11678	4.7
137.09607	0.7
142.03209	6.3
142.07715	0.9
143.08559	0.5
144.01135	9.6
145.06207	1.0
145.10085	4.0
146.02634	0.6
147.07990	1.0
147.11691	4.7
149.09564	2.0
149.13257	2.3
157.10109	4.1
159.11665	1.8
161.13272	1.7
162.02190	27.8
163.11183	0.7
163.14833	1.2
165.12727	0.7
169.10080	0.6
170.02710	2.5
171.11694	0.9
173.13269	1.6
175.11139	3.3
175.14857	0.9
177.03273	2.6
177.12683	0.4
179.04837	50.1
185.03816	0.6
187.05400	1.6
187.14781	0.6
189.11212	0.8
193.12241	7.2
201.16325	0.5
208.21613	0.4
211.13245	0.6
215.04828	2.5
216.03278	0.7
227.12804	1.1
233.05879	13.8
233.22832	0.5
243.21085	1.8
245.05811	2.7
249.14897	1.0
261.22159	5.9
267.15878	26.9
285.22086	0.5
290.07971	1.3
291.06369	1.6
301.25232	1.2
308.09076	100.0
309.09406	1.8
317.24615	1.3
335.25787	25.9
336.26050	0.8
350.10034	0.5
421.26163	0.5
435.32428	0.6
453.33527	1.8
470.14279	0.9
471.34290	0.5
527.37323	14.6
545.38367	7.5
569.38440	0.8
586.82166	0.4
656.41016	0.6
705.41547	0.7
723.41919	0.5
834.44934	0.9
852.46735	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	1032.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02219	47.2
76.03969	1.5
79.05486	12.2
80.05006	1.1
80.05801	0.3
81.03408	24.4
81.07047	15.4
83.04974	1.4
83.06100	1.0
83.08614	5.7
84.04491	12.8
85.02898	1.2
85.04019	1.4
85.06532	0.9
86.00635	0.3
86.06049	0.4
86.30930	0.3
86.99028	2.0
88.02208	1.1
91.03963	0.4
91.05470	11.1
92.01692	0.7
93.07039	12.0
95.04958	8.9
95.08595	9.9
96.08903	0.4
97.01112	0.9
97.02888	2.1
97.06525	1.4
97.10175	1.4
99.05589	0.4
99.08070	0.3
103.05463	0.5
105.04499	0.3
105.07024	8.3
105.07732	0.5
107.04956	1.9
107.08591	6.5
109.06496	1.3
109.10153	4.2
111.04488	0.5
111.08066	1.9
112.03952	0.4
113.03468	0.5
114.03776	0.6
115.05441	0.6
116.01669	14.9
117.07015	2.3
119.04905	0.3
119.08569	6.2
121.06490	1.2
121.10128	6.3
123.08071	0.6
123.11700	1.2
124.02183	0.3
125.09619	0.5
129.07011	3.5
130.04988	8.5
131.04529	0.9
131.08557	5.4
133.06499	1.2
133.10126	3.7
135.08032	0.5
135.11688	2.9
137.09569	0.7
137.13274	0.4
141.04817	0.8
142.03209	6.6
142.07767	0.8
143.08501	0.5
144.01128	7.8
145.06073	0.6
145.10094	2.3
147.04489	0.3
147.08035	1.1
147.11662	3.8
149.09598	2.0
149.13246	2.1
153.47021	0.3
155.08478	0.4
157.10107	3.1
159.11655	1.7
160.00584	0.4
161.13283	1.2
162.02185	25.9
163.11191	0.8
163.14819	0.7
165.12704	1.0
169.10165	0.4
170.02655	2.9
171.11681	0.5
173.13200	1.4
175.11192	2.5
177.03276	3.4
177.12645	0.3
177.16347	0.4
179.04834	50.3
180.05046	0.3
183.11665	0.4
185.03810	0.6
185.13240	0.5
187.05356	2.0
187.14783	0.7
188.03754	0.5
189.03383	0.3
189.11278	0.5
191.14082	0.3
193.12221	6.2
199.05203	0.3
201.16417	0.6
211.13264	1.0
215.04871	2.2
216.03244	0.4
227.04877	0.4
227.12787	0.9
231.04276	0.5
233.05887	13.6
233.22816	0.4
243.04440	0.4
243.21022	1.6
245.05864	2.8
249.14897	0.9
261.22107	4.4
267.15881	23.6
268.16208	0.5
275.20239	0.3
276.16037	0.5
285.16870	0.3
288.06390	0.5
290.08054	0.9
291.06357	1.6
301.25204	0.8
306.07520	0.7
308.09070	100.0
309.09418	1.3
317.24686	0.7
335.25781	20.2
336.26263	0.8
350.10229	0.3
435.27237	0.5
435.32553	0.6
453.33600	1.2
470.14429	0.8
471.15341	0.3
527.37280	10.2
545.38385	5.5
569.38385	0.5
638.10150	0.3
656.41394	0.5
705.40497	0.8
720.51752	0.3
723.40790	1.1
759.42059	0.4
834.45581	1.3
852.46289	2.1
1014.51050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04510	3.0
73.01150	1.3
73.02900	1.5
74.00649	4.7
74.02424	1.1
76.02224	27.3
76.03994	8.4
79.05496	14.1
79.79031	1.2
80.05021	8.7
81.03409	42.1
81.05801	2.3
81.07053	11.7
82.06574	3.6
83.04974	4.2
83.06093	10.6
83.08617	10.6
84.04501	51.1
85.01123	43.8
85.01631	2.4
85.02906	4.7
85.04002	2.7
85.06514	2.1
86.00646	31.3
86.06076	1.2
86.99049	45.9
87.02729	2.0
88.02212	4.7
91.05474	18.0
93.07034	9.8
94.06551	1.6
95.04961	16.6
95.08579	6.0
96.04508	2.7
97.01111	15.1
97.02882	4.1
97.06519	2.7
97.10156	4.9
98.00643	5.3
98.06052	2.9
98.21449	2.5
99.05574	3.9
100.02191	7.7
100.03950	1.9
100.11605	1.4
102.00089	1.3
102.03751	36.1
102.05529	21.0
105.07021	8.1
107.04929	8.1
107.06075	2.3
107.08575	6.1
108.04465	2.7
109.02856	2.5
109.07625	3.2
109.10141	7.8
110.06049	2.2
111.02660	1.4
111.04434	2.0
111.08067	3.9
112.02179	27.6
112.03920	3.5
113.00582	5.6
113.03487	2.0
114.00118	1.4
114.03735	16.5
114.05520	2.7
115.02159	1.6
115.05442	2.5
116.01673	26.8
117.07030	4.3
119.04990	1.3
119.08586	9.5
121.06496	3.7
121.10143	3.7
122.06081	1.5
123.04395	2.0
123.08119	2.0
124.02178	5.9
125.00562	2.4
125.09628	4.5
126.03754	3.2
126.05505	4.8
127.03926	2.6
129.06693	6.0
130.03241	14.9
130.04996	31.0
131.04500	2.3
131.08531	5.8
132.01155	5.1
132.04749	1.7
133.06497	3.3
133.10107	5.2
134.06010	2.0
135.04492	2.0
135.05518	1.7
135.08017	1.6
135.11690	1.4
136.03949	1.5
137.09676	1.3
139.02118	1.9
139.11089	1.2
140.01639	4.7
141.04813	1.3
142.03214	45.2
142.07768	1.8
143.02707	31.3
143.04517	2.6
143.08585	1.7
144.01141	9.1
145.06029	6.2
145.10133	4.2
146.02687	1.2
147.04417	2.5
147.08008	3.7
147.11673	6.3
149.09601	4.7
151.03862	1.4
152.01657	2.0
153.01794	1.4
153.06578	5.8
155.08147	7.5
156.06535	7.5
157.08952	1.3
157.10080	7.5
158.02711	6.2
160.00623	1.6
161.05927	1.7
162.02182	16.7
163.11150	3.5
168.04810	8.7
168.06502	1.4
169.04306	7.8
170.02661	7.5
171.02209	8.0
171.07825	1.4
171.11681	1.9
173.05786	1.3
173.09309	2.7
173.11722	2.5
175.03917	1.6
175.11128	6.5
176.07054	1.7
177.03262	11.6
179.04813	21.0
180.04948	1.4
181.06137	8.4
184.06042	1.7
185.03860	4.3
186.06274	1.5
187.05357	3.5
188.03766	8.5
188.05287	1.7
189.03271	83.1
189.11168	1.8
191.10637	1.4
193.06351	2.4
193.12204	16.2
196.04309	12.2
196.05962	2.5
199.05406	2.9
199.07156	4.2
200.07898	2.5
202.04201	1.8
205.06413	31.5
208.04375	1.9
208.06099	2.8
211.07210	1.9
211.13205	7.8
213.07008	2.0
215.04834	31.8
217.06419	3.4
223.07864	1.5
224.03767	3.9
227.04836	2.4
227.12866	1.4
229.14326	3.5
231.04324	5.3
232.05019	2.3
233.05882	29.2
238.07042	1.8
241.06392	3.3
243.04393	1.4
245.05951	14.0
249.09543	1.5
250.12633	2.0
253.06065	1.3
257.07559	1.8
259.07501	5.5
266.12115	11.5
267.15909	38.7
268.16245	2.4
269.06018	2.7
274.10327	1.8
275.11185	1.2
283.15421	1.8
284.13092	3.5
285.16986	3.7
287.06998	15.4
287.12793	1.9
288.06537	2.0
291.06363	1.6
294.11536	1.4
299.07043	4.2
306.07544	4.5
307.08194	5.8
308.09064	18.6
315.12158	2.0
322.10623	3.3
323.11087	2.4
333.13303	2.9
334.06921	2.5
334.10651	28.0
340.16666	1.3
341.15222	2.2
345.07614	3.1
351.14212	1.6
362.10117	55.0
367.16708	1.4
369.14731	2.1
392.11292	1.7
407.16797	2.0
421.25854	2.6
425.17621	2.3
443.18857	1.4
459.27112	3.9
461.19592	3.0
475.26489	3.3
550.28162	3.3
568.29901	1.6
590.24146	1.8
599.28601	8.6
608.24542	1.3
617.29785	11.9
635.30548	17.3
653.31140	18.8
654.31897	1.4
671.31934	15.3
689.33063	18.6
705.43500	1.3
725.32727	4.8
743.33673	5.2
764.33417	1.5
782.34503	2.3
800.36346	22.3
818.37292	100.0
819.37421	4.9
851.37524	2.9
896.38037	1.9
962.40582	5.3
980.42749	26.4
981.42120	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	1023.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
79.98228	0.6
84.04496	50.1
86.06063	2.4
86.09696	100.0
87.10041	1.5
97.47701	0.6
102.05561	0.7
114.05550	1.8
117.09429	0.6
127.03917	3.6
130.04985	11.5
132.10191	58.9
133.10562	0.6
139.03897	6.6
142.05011	5.7
150.79631	0.6
151.03850	1.5
152.10698	2.6
153.01840	0.8
163.03879	0.7
169.08594	3.3
170.11760	1.7
179.03403	2.0
188.13478	0.6
197.12721	0.6
198.11238	16.6
203.03395	0.9
208.73538	0.6
215.03329	0.8
217.20270	0.6
243.13460	1.6
244.11798	14.3
245.04439	1.1
261.14447	99.4
262.14774	2.2
263.05475	1.2
263.17810	0.6
287.05466	2.6
299.05414	0.8
305.06561	1.0
317.06619	1.3
407.07657	0.7
425.08630	1.6
459.08948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.2
51.37003	0.6
53.03942	17.2
55.01870	0.7
56.05021	2.6
56.96557	0.8
57.05357	2.9
58.02953	1.4
58.06576	3.2
59.06118	8.6
60.04506	2.5
60.06442	0.8
62.06087	5.2
71.02285	1.7
73.07663	1.9
75.05605	1.4
77.03919	3.2
81.03408	2.8
84.70638	0.6
85.02890	1.4
85.04841	0.7
85.07647	0.8
86.06064	4.0
95.04954	35.3
102.04677	4.3
102.67514	0.6
103.03980	2.2
103.05457	100.0
103.08689	8.5
104.05795	2.3
105.04512	7.3
110.75203	0.7
114.13113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5942
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97273	1.9
70.97623	4.0
71.04980	7.7
79.05487	68.3
80.77907	1.7
81.03413	19.6
81.07048	100.0
83.04971	17.0
83.08614	19.9
85.02889	12.0
85.06540	4.8
91.03990	1.8
91.05471	64.5
93.07037	71.8
95.04967	18.5
95.08597	41.6
97.02875	6.6
97.06530	19.4
97.10175	10.4
99.04451	3.4
99.08069	4.1
103.05505	2.6
105.04433	1.9
105.07022	48.0
106.23519	1.8
107.04955	13.4
107.08585	48.1
109.02849	2.9
109.06501	11.5
109.10139	18.7
111.04440	3.2
111.08082	5.6
115.05453	4.6
117.07015	26.6
119.08570	38.5
121.06489	7.2
121.10137	22.7
123.00143	1.6
123.08089	8.8
123.11724	6.0
124.07961	1.6
125.09634	8.4
127.03915	5.5
128.06184	4.1
129.05479	1.9
129.06984	11.6
131.07660	2.8
131.08562	32.8
133.06488	3.1
133.10120	27.9
135.08057	7.2
135.11696	24.4
137.09601	5.3
141.06963	5.6
142.07776	2.0
143.08549	7.6
145.05017	1.5
145.06418	2.9
145.10103	26.0
147.08081	2.3
147.11681	19.3
149.09608	18.1
149.13246	18.0
151.11182	2.8
155.08525	4.4
157.10110	12.3
159.08006	3.6
159.11668	17.9
161.09572	2.8
161.13248	6.6
163.11122	13.3
165.12755	2.3
167.08566	1.8
169.10110	6.9
171.11679	6.8
173.04495	6.0
173.09598	2.8
173.13216	9.6
175.11171	3.7
177.12759	6.9
178.46432	1.8
179.08569	2.0
179.14233	4.0
181.06528	1.6
181.10300	2.0
181.12192	1.8
183.11713	5.9
185.09564	1.7
185.13312	4.2
187.11140	4.0
187.14796	4.0
189.11160	3.7
189.12759	1.9
193.10249	1.9
195.11850	2.6
195.13773	5.7
197.13214	5.3
199.14844	2.4
201.12808	2.8
205.12209	1.6
209.13235	1.9
211.14764	2.7
213.12793	1.8
227.12790	6.4
229.14191	1.9
229.19391	4.3
235.16707	2.0
239.17992	3.5
247.20447	2.9
253.18112	2.1
255.15784	13.7
257.18991	14.0
267.15952	7.1
269.17444	42.9
275.20065	49.9
293.21176	5.6
299.65012	1.6
303.15915	1.8
331.22653	5.0
339.17874	2.3
349.23749	39.9
355.26190	1.6
367.24814	5.5
410.00684	1.6
413.21616	2.6
423.27438	3.2
435.27097	3.0
439.26273	1.8
445.29272	3.6
449.28903	28.0
451.32205	1.8
463.30533	35.7
469.33322	2.1
476.14508	1.9
485.31958	1.9
489.32587	2.2
503.34128	2.2
515.37421	2.6
525.35468	4.9
529.35309	13.8
543.36774	57.9
547.36237	4.0
561.37622	10.0
583.39520	2.2
605.41815	2.1
607.34833	3.4
623.43121	10.3
641.44061	7.6
687.41986	3.0
794.41864	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	5.5
72.96629	1.7
73.02896	2.5
76.04105	1.8
77.03914	3.2
79.05486	62.1
81.03408	20.5
81.07050	100.0
82.34933	1.5
83.04974	15.5
83.08618	20.4
85.02477	1.4
85.02903	11.2
85.06526	5.4
91.03964	1.8
91.05471	65.5
93.07037	74.4
95.04970	18.1
95.08027	2.7
95.08601	46.2
97.02887	12.5
97.06512	21.9
97.10160	11.4
98.20641	3.4
99.04459	2.5
99.08059	5.0
103.05433	2.8
105.04506	2.5
105.07024	49.3
107.04948	15.7
107.08587	52.0
109.02873	4.2
109.06521	11.4
109.10147	17.7
111.04456	2.2
111.08054	6.4
113.05994	2.4
113.09642	3.1
117.07017	25.6
119.08572	32.1
121.06467	6.2
121.10141	24.8
123.08054	5.7
123.11699	6.5
125.09608	6.4
127.03893	6.2
129.05528	2.6
129.07004	9.2
130.07729	2.1
131.04984	1.7
131.08557	31.2
133.06493	3.8
133.10129	34.6
135.08025	6.4
135.11678	22.7
137.09589	5.4
139.11188	2.3
141.06943	3.5
143.08549	9.7
145.04977	3.1
145.06448	3.7
145.10124	23.6
147.07979	3.1
147.11684	19.9
149.09612	20.2
149.13243	20.3
151.11176	4.6
154.07822	2.1
155.08549	5.8
157.10127	9.9
159.08049	3.1
159.11668	28.4
161.09567	3.5
161.13243	7.1
163.11183	14.4
165.12718	2.8
169.10133	7.1
171.10320	2.1
171.11659	8.4
173.04454	8.7
173.13210	10.1
175.11143	4.6
177.12704	8.7
179.14297	2.2
181.12170	2.5
183.11716	4.9
185.13252	4.1
187.11143	2.2
187.14767	3.1
189.11249	4.2
193.12241	1.9
195.11977	2.3
195.13803	12.0
197.13281	3.1
199.14818	3.7
201.12720	2.3
209.13138	1.9
213.14717	2.2
215.14365	2.5
215.18126	2.0
219.13737	2.3
223.14827	2.0
227.12691	7.5
229.14272	3.4
229.19530	6.0
233.18857	1.6
239.18018	4.5
247.20567	2.8
251.16354	2.5
253.14285	1.9
255.15900	20.5
257.19034	11.7
267.15884	6.1
269.17465	61.8
275.20050	56.6
285.02750	1.8
293.17853	1.8
293.21164	6.3
303.16049	2.0
309.20346	2.4
313.21622	2.0
321.24509	2.0
331.22623	5.7
349.23706	51.6
365.23492	1.8
367.24799	8.3
395.20444	2.6
413.22144	1.9
419.24112	2.5
423.27252	2.5
431.27625	2.5
433.30807	2.3
435.27213	5.1
435.44339	1.6
442.34152	1.6
445.29388	6.2
449.28925	41.0
451.32092	4.0
463.30545	69.0
464.30588	3.0
469.32635	2.3
503.33307	3.4
515.37042	3.9
519.32727	2.2
525.35944	10.0
529.35272	14.5
543.36780	72.3
544.37299	2.8
547.36102	3.6
561.38031	15.0
583.39819	2.6
597.38019	1.9
607.34613	10.0
623.42773	9.6
641.44263	7.8
663.63763	1.8
687.40570	3.0
705.41034	3.0
1029.64661	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	1016.5785
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71295	1.4
73.02905	1.2
79.05483	35.9
80.29306	0.9
81.03418	9.4
81.07050	40.3
83.04977	6.4
83.08614	9.3
85.02888	4.0
85.06528	1.6
91.05474	29.6
93.06443	1.7
93.07037	30.7
95.04958	11.8
95.08594	18.7
97.02888	11.6
97.06515	8.7
97.10153	12.7
99.04433	1.9
100.70675	1.0
105.07025	21.3
107.04959	10.1
107.08588	21.4
109.02880	1.3
109.06503	4.6
109.10159	10.2
111.04391	1.4
111.08054	3.9
113.62252	0.9
115.05430	2.0
117.07018	11.4
119.04870	1.3
119.08566	19.1
121.06472	5.5
121.10125	9.3
123.08048	5.3
123.11713	2.3
125.09637	9.0
127.03905	1.7
129.06987	4.9
130.07738	1.1
131.08562	13.9
133.06474	2.9
133.10110	12.9
135.08028	4.7
135.11673	6.4
137.09584	3.2
141.06929	1.2
143.08551	4.4
145.06470	1.5
145.10098	10.5
147.08057	6.1
147.11649	7.4
149.09583	8.9
149.13251	7.4
151.11168	2.1
153.09082	1.6
155.08531	2.9
157.10179	5.2
159.11673	9.9
161.09618	3.4
161.13245	3.1
162.02180	1.4
163.11197	5.3
165.09052	1.4
169.10123	2.4
171.10197	1.2
171.11659	3.0
173.04454	1.7
173.13246	3.4
175.11163	2.7
177.12729	3.5
179.14243	1.5
181.12335	1.6
183.11667	1.8
185.13283	3.4
187.11133	1.1
187.14769	1.5
189.11237	6.1
189.12622	1.3
193.12250	1.7
195.13759	3.8
199.11217	1.4
205.12170	2.1
215.18057	1.0
223.13266	15.1
227.12756	14.7
229.19498	1.8
235.11577	1.1
239.17934	2.3
245.19026	1.7
247.20543	1.3
249.14804	3.0
253.14268	1.7
253.18097	1.2
255.15665	4.7
257.18893	6.0
267.15796	2.1
269.17465	18.6
273.18484	17.0
275.16901	0.8
275.20026	20.8
291.19519	100.0
292.19800	1.8
293.21118	1.2
308.09161	1.8
309.20306	1.7
310.70639	1.1
331.22583	2.6
347.22116	3.6
349.23697	23.3
365.23193	50.4
366.23322	1.2
367.24640	1.7
395.20535	1.2
413.21375	1.1
461.29034	1.8
479.28992	1.4
519.32855	3.4
535.32434	3.3
541.34906	4.4
543.36414	1.5
545.26794	1.1
545.34711	17.6
559.36249	71.5
560.36377	2.6
599.39099	1.6
611.42426	1.8
621.41589	2.8
631.82312	1.0
639.31866	2.0
639.42517	34.9
640.42688	2.5
657.43524	4.6
703.39703	2.4
707.43304	5.9
854.47455	2.6
866.02411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5784
Annotation	Unknow
Peak:m/z	Relative Intensity
71.72553	1.5
71.72941	3.3
79.05484	49.9
81.03400	8.5
81.06550	2.6
81.07043	47.0
83.04964	10.9
83.08605	13.9
85.02886	5.1
85.06548	2.0
89.16582	1.8
91.04935	2.2
91.05469	35.6
93.07043	41.2
95.04951	16.5
95.08595	23.1
97.02874	10.8
97.06518	8.9
97.10144	13.9
99.08054	1.9
105.07014	30.7
107.04922	11.6
107.08575	31.1
109.02828	1.8
109.06494	6.7
109.10131	14.6
111.08050	5.4
115.05345	1.9
116.01701	2.2
117.07011	16.3
119.08562	19.2
121.06504	5.9
121.10123	8.7
123.08038	5.3
123.11718	3.2
125.09622	16.5
127.03832	2.3
127.55022	1.7
128.06213	2.6
129.06984	6.1
131.08563	16.2
133.06468	4.2
133.10117	15.0
135.08025	5.4
135.11671	9.8
137.09618	2.3
141.06960	3.0
142.07782	1.7
143.08522	4.5
145.10094	13.8
147.08008	7.0
147.11659	8.0
149.09584	7.6
149.13248	8.8
151.11174	3.9
153.09126	2.4
157.06433	1.9
157.10110	3.7
159.08011	3.1
159.11664	10.3
161.09598	3.4
161.13206	3.1
162.02103	2.1
163.11194	8.2
165.12651	1.8
171.10114	2.0
171.11623	1.8
173.04495	2.6
173.13193	4.8
175.11215	3.1
177.05475	1.7
177.12747	2.4
179.04865	2.2
183.11717	2.1
189.11182	7.3
195.13800	3.2
202.78290	2.1
203.14243	2.4
205.12134	2.3
223.13264	18.3
227.12741	14.9
229.19221	2.0
239.17917	2.7
249.14725	3.8
253.14320	4.0
255.15807	3.3
257.18918	6.8
266.31094	1.7
267.16147	3.5
269.17484	16.2
270.15009	1.7
273.18515	15.1
275.20050	27.7
286.64136	1.9
291.19501	100.0
293.21140	3.1
347.21844	2.7
349.23663	21.3
350.25424	2.0
365.23212	53.5
367.24677	3.0
385.55099	1.8
408.45279	1.9
423.23938	2.1
461.28894	3.1
485.76328	1.9
519.32855	3.3
535.32574	2.8
541.35132	5.1
545.34540	14.3
559.36255	63.0
639.42444	37.2
657.43488	4.9
703.39868	3.2
707.42578	6.3
854.47675	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
56.05031	19.4
56.96564	20.5
57.04548	1.3
58.96172	7.9
59.06121	42.0
59.96175	1.5
59.99916	1.4
60.04520	12.5
60.95857	15.3
63.17101	1.2
70.44189	4.7
73.08968	1.3
74.06068	4.0
78.00959	1.3
79.01842	3.8
81.63039	1.2
82.99825	2.2
83.01518	5.6
83.06094	5.2
84.01204	2.3
84.04504	3.3
85.60283	1.3
94.88331	1.3
100.02486	5.7
100.97146	3.3
100.97984	1.2
101.00882	17.4
101.02553	36.4
101.07153	11.1
101.57302	1.5
102.02228	14.8
118.03518	4.2
118.98222	2.5
119.01910	100.0
119.03596	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01325	0.3
71.04973	0.7
71.10292	0.7
71.10701	0.6
74.00645	0.9
74.02412	0.3
76.02219	37.2
76.03985	2.8
77.03920	0.3
79.05486	7.8
80.04995	1.1
81.03410	40.8
81.07048	5.5
83.04980	2.8
83.06073	1.2
83.08125	0.4
83.08611	8.8
84.04494	11.2
85.02879	1.2
85.04028	3.2
85.06548	0.5
86.00634	0.3
86.06011	0.4
86.99033	1.7
88.02191	0.7
91.04954	0.7
91.05472	8.9
92.01675	1.3
93.07036	4.8
95.04961	13.5
95.08585	2.6
96.04454	0.4
97.01092	1.0
97.02876	2.2
97.06520	0.8
97.10168	1.7
98.00627	0.3
99.05536	0.7
100.02203	0.5
102.05523	0.7
105.06363	0.4
105.07027	7.2
107.04944	3.3
107.08589	2.7
109.06518	2.6
109.10115	1.1
111.04404	0.9
111.08060	3.3
112.02145	0.4
112.03954	0.9
113.00571	0.7
113.03500	1.0
114.03709	0.7
115.05437	0.8
116.01667	10.2
117.07011	1.0
119.04894	0.5
119.08572	6.7
121.06477	2.7
121.10141	2.9
122.06010	0.4
123.04430	0.4
123.08032	1.1
125.09598	1.2
127.04969	0.3
128.06166	0.3
129.07028	4.7
130.04990	9.6
131.04474	2.1
131.08560	5.2
133.06473	1.6
133.10126	2.9
135.08037	0.5
135.11742	0.4
137.09605	0.9
139.08907	0.3
141.04712	0.4
142.03201	5.1
142.07770	0.9
143.08559	0.6
144.00113	0.2
144.01126	7.0
145.06042	2.0
145.10092	1.2
146.02750	0.7
147.08005	1.8
147.11659	4.6
149.03769	0.5
149.09631	3.3
153.06659	0.5
155.08508	0.5
157.10118	6.5
159.08102	0.5
160.00624	0.6
162.02184	22.3
163.11160	0.8
165.12695	1.4
169.06076	0.4
170.02711	2.3
175.11171	5.7
177.03293	6.8
179.04839	35.5
180.37352	0.3
181.06093	1.2
185.03806	1.4
185.13200	0.4
187.05331	1.6
189.03262	0.5
189.11172	0.4
193.12225	16.4
195.08281	0.4
199.05295	0.4
199.07077	0.4
205.06488	0.5
205.12201	0.4
210.14919	0.3
211.13264	1.1
215.04813	1.0
216.03288	0.5
223.07869	0.3
231.04228	1.7
231.13603	0.4
233.05893	10.9
235.13272	0.6
237.14824	0.4
245.06096	1.9
249.14771	0.9
250.12553	1.1
267.15891	54.3
268.13641	0.6
268.16241	0.7
269.17099	0.4
275.16763	0.4
276.15854	0.6
287.05487	1.5
288.06363	1.3
289.04675	0.5
290.07953	1.1
291.06354	1.5
299.05505	0.5
301.14273	0.4
302.17599	0.4
306.07513	1.3
308.09076	100.0
309.09326	1.1
309.16931	0.5
311.40717	0.4
341.10095	0.5
367.22723	0.9
385.23743	2.4
401.95557	0.3
403.24670	0.6
459.27362	24.3
460.27802	0.6
470.14221	1.1
477.28479	5.9
491.29904	0.5
501.28207	1.4
509.30807	0.5
519.29626	0.4
523.14325	0.6
552.29602	0.4
555.29584	0.5
567.29333	1.2
588.31274	0.7
637.31610	1.8
655.31873	1.1
691.32562	0.5
709.33899	0.8
710.91840	0.4
766.35815	2.6
784.36755	7.0
946.41388	2.8
END